data_25114 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25114 _Entry.Title ; NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-29 _Entry.Accession_date 2014-07-29 _Entry.Last_release_date 2015-05-27 _Entry.Original_release_date 2015-05-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; This is a hybrid model generated by Haddock docking simulation that is based on: i) NMR data that includes PRE-measurements between lipids (i.e. nanodisc) and the protien (i.e. K-RasGDP) ii) crystolagraphic information (K-RasGDP) and iii) theoretical computation (i.e. nanodisc). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Mohammad T.' Mazhab-Jafari . . . 25114 2 'Peter B.' Stathopoulos . . . 25114 3 'Christopher B.' Marshall . . . 25114 4 Mitsuhiko Ikura . . . 25114 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25114 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Docking . 25114 K-Ras . 25114 Nanodisc . 25114 PRE . 25114 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25114 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 11 25114 '1H chemical shifts' 33 25114 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-10-12 2014-07-29 update BMRB 'update entry citation' 25114 1 . . 2015-05-27 2014-07-29 original author 'original release' 25114 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25115 'GTPase KRas-GNP tethered to a lipid-bilayer nanodisc' 25114 BMRB 25116 'GTPase KRas-GNP:ARafRBD complex tethered to a lipid-bilayer nanodisc' 25114 PDB 2M4A . 25114 PDB 2M4B . 25114 PDB 2MSC 'BMRB Entry Tracking System' 25114 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25114 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25941399 _Citation.Full_citation . _Citation.Title ; Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 112 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6625 _Citation.Page_last 6630 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Mohammad T.' Mazhab-Jafari . . . 25114 1 2 'Christopher B.' Marshall . . . 25114 1 3 'Matthew J.' Smith . . . 25114 1 4 'Genevieve M. C.' Gasmi-Seabrook . . . 25114 1 5 'Peter B.' Stathopoulos . . . 25114 1 6 Fuyuhiko Inagaki . . . 25114 1 7 'Lewis E.' Kay . . . 25114 1 8 'Benjamin G.' Neel . . . 25114 1 9 Mitsuhiko Ikura . . . 25114 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25114 _Assembly.ID 1 _Assembly.Name 'GTPase KRas-GDP tethered to a lipid-bilayer nanodisc' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 K-Ras 1 $K-Ras B . yes native no no . . . 25114 1 2 'membrane scaffold protein' 2 $membrane_scaffold_protein A . yes native no no . . . 25114 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_K-Ras _Entity.Sf_category entity _Entity.Sf_framecode K-Ras _Entity.Entry_ID 25114 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name K-Ras _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMTEYKLVVVGAGGVGKSA LTIQLIQNHFVDEYDPTIED SYRKQVVIDGETCLLDILDT AGQEEYSAMRDQYMRTGEGF LCVFAINNTKSFEDIHHYRE QIKRVKDSEDVPMVLVGNKC DLPSRTVDTKQAQDLARSYG IPFIETSAKTRQGVDDAFYT LVREIRKHKEKMSKDGKKKK KKSKTKC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17785 . KRas171 . . . . . 91.44 171 100.00 100.00 1.71e-122 . . . . 25114 1 2 no BMRB 18529 . K-Ras . . . . . 88.77 169 100.00 100.00 1.20e-118 . . . . 25114 1 3 no BMRB 25115 . K-Ras . . . . . 100.00 187 100.00 100.00 4.15e-134 . . . . 25114 1 4 no BMRB 25116 . K-Ras . . . . . 100.00 187 100.00 100.00 4.15e-134 . . . . 25114 1 5 no BMRB 26635 . K-Ras4B . . . . . 98.93 188 100.00 100.00 9.48e-133 . . . . 25114 1 6 no PDB 2MSC . "Nmr Data-driven Model Of Gtpase Kras-gdp Tethered To A Lipid-bilayer Nanodisc" . . . . . 100.00 187 100.00 100.00 4.15e-134 . . . . 25114 1 7 no PDB 2MSD . "Nmr Data-driven Model Of Gtpase Kras-gnp Tethered To A Lipid-bilayer Nanodisc" . . . . . 100.00 187 100.00 100.00 4.15e-134 . . . . 25114 1 8 no PDB 2MSE . "Nmr Data-driven Model Of Gtpase Kras-gnp:arafrbd Complex Tethered To A Lipid-bilayer Nanodisc" . . . . . 100.00 187 100.00 100.00 4.15e-134 . . . . 25114 1 9 no PDB 3GFT . "Human K-ras (q61h) In Complex With A Gtp Analogue" . . . . . 90.37 187 99.41 99.41 6.58e-120 . . . . 25114 1 10 no PDB 4DSN . "Small-Molecule Ligands Bind To A Distinct Pocket In Ras And Inhibit Sos-Mediated Nucleotide Exchange Activity" . . . . . 98.40 189 99.46 99.46 1.71e-130 . . . . 25114 1 11 no PDB 4DSO . "Small-Molecule Ligands Bind To A Distinct Pocket In Ras And Inhibit Sos-Mediated Nucleotide Exchange Activity" . . . . . 98.40 189 99.46 99.46 1.71e-130 . . . . 25114 1 12 no PDB 4DST . "Small-Molecule Ligands Bind To A Distinct Pocket In Ras And Inhibit Sos-Mediated Nucleotide Exchange Activity" . . . . . 98.40 189 99.46 99.46 1.71e-130 . . . . 25114 1 13 no PDB 4DSU . "Small-Molecule Ligands Bind To A Distinct Pocket In Ras And Inhibit Sos-Mediated Nucleotide Exchange Activity" . . . . . 98.40 189 99.46 99.46 1.71e-130 . . . . 25114 1 14 no PDB 4EPR . "Discovery Of Small Molecules That Bind To K-Ras And Inhibit Sos- Mediated Activation" . . . . . 90.37 170 98.82 98.82 2.15e-118 . . . . 25114 1 15 no PDB 4EPT . "Discovery Of Small Molecules That Bind To K-Ras And Inhibit Sos- Mediated Activation" . . . . . 90.37 170 99.41 99.41 1.28e-119 . . . . 25114 1 16 no PDB 4EPV . "Discovery Of Small Molecules That Bind To K-Ras And Inhibit Sos- Mediated Activation" . . . . . 90.37 170 99.41 99.41 1.28e-119 . . . . 25114 1 17 no PDB 4EPW . "Discovery Of Small Molecules That Bind To K-Ras And Inhibit Sos- Mediated Activation" . . . . . 90.37 170 99.41 99.41 1.28e-119 . . . . 25114 1 18 no PDB 4EPX . "Discovery Of Small Molecules That Bind To K-Ras And Inhibit Sos- Mediated Activation" . . . . . 90.37 170 98.82 98.82 2.08e-118 . . . . 25114 1 19 no PDB 4EPY . "Discovery Of Small Molecules That Bind To K-Ras And Inhibit Sos- Mediated Activation" . . . . . 90.37 170 98.82 98.82 2.08e-118 . . . . 25114 1 20 no PDB 4L8G . "Crystal Structure Of K-ras G12c, Gdp-bound" . . . . . 90.37 170 99.41 99.41 3.29e-119 . . . . 25114 1 21 no PDB 4LDJ . "Crystal Structure Of A Gdp-bound G12c Oncogenic Mutant Of Human Gtpase Kras" . . . . . 90.37 170 99.41 99.41 3.29e-119 . . . . 25114 1 22 no PDB 4LPK . "Crystal Structure Of K-ras Wt, Gdp-bound" . . . . . 90.37 170 100.00 100.00 6.94e-121 . . . . 25114 1 23 no PDB 4LRW . "Crystal Structure Of K-ras G12c (cysteine-light), Gdp-bound" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 24 no PDB 4LUC . "Crystal Structure Of Small Molecule Disulfide 6 Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 25 no PDB 4LV6 . "Crystal Structure Of Small Molecule Disulfide 4 Covalently Bound To K- Ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 26 no PDB 4LYF . "Crystal Structure Of Small Molecule Vinylsulfonamide 8 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 27 no PDB 4LYH . "Crystal Structure Of Small Molecule Vinylsulfonamide 9 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 28 no PDB 4LYJ . "Crystal Structure Of Small Molecule Vinylsulfonamide 9 Covalently Bound To K-ras G12c, Alternative Space Group" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 29 no PDB 4M1O . "Crystal Structure Of Small Molecule Vinylsulfonamide 7 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 30 no PDB 4M1S . "Crystal Structure Of Small Molecule Vinylsulfonamide 13 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 31 no PDB 4M1T . "Crystal Structure Of Small Molecule Vinylsulfonamide 14 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 32 no PDB 4M1W . "Crystal Structure Of Small Molecule Vinylsulfonamide Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 33 no PDB 4M1Y . "Crystal Structure Of Small Molecule Vinylsulfonamide 15 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 34 no PDB 4M21 . "Crystal Structure Of Small Molecule Acrylamide 11 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 35 no PDB 4M22 . "Crystal Structure Of Small Molecule Acrylamide 16 Covalently Bound To K-ras G12c" . . . . . 90.37 170 97.63 97.63 5.67e-116 . . . . 25114 1 36 no PDB 4NMM . "Crystal Structure Of A G12c Oncogenic Variant Of Human Kras Bound To A Novel Gdp Competitive Covalent Inhibitor" . . . . . 90.37 170 99.41 99.41 3.29e-119 . . . . 25114 1 37 no PDB 4OBE . "Crystal Structure Of Gdp-bound Human Kras" . . . . . 90.37 170 100.00 100.00 6.94e-121 . . . . 25114 1 38 no PDB 4PZY . "Second-site Screening Of K-ras In The Presence Of Covalently Attached First-site Ligands" . . . . . 90.37 170 98.22 98.22 1.18e-116 . . . . 25114 1 39 no PDB 4PZZ . "Second-site Screening Of K-ras In The Presence Of Covalently Attached First-site Ligands" . . . . . 90.37 170 98.22 98.22 3.94e-117 . . . . 25114 1 40 no PDB 4Q01 . "Second-site Screening Of K-ras In The Presence Of Covalently Attached First-site Ligands" . . . . . 90.37 169 98.22 98.22 3.89e-117 . . . . 25114 1 41 no PDB 4Q02 . "Second-site Screening Of K-ras In The Presence Of Covalently Attached First-site Ligands" . . . . . 90.37 170 98.22 98.22 3.94e-117 . . . . 25114 1 42 no PDB 4Q03 . "Second-site Screening Of K-ras In The Presence Of Covalently Attached First-site Ligands" . . . . . 90.37 170 98.22 98.22 3.94e-117 . . . . 25114 1 43 no PDB 4QL3 . "Crystal Structure Of A Gdp-bound G12r Oncogenic Mutant Of Human Gtpase Kras" . . . . . 90.37 170 99.41 99.41 1.42e-119 . . . . 25114 1 44 no PDB 4TQ9 . "Crystal Structure Of A Gdp-bound G12v Oncogenic Mutant Of Human Gtpase Kras" . . . . . 89.84 169 99.40 99.40 8.13e-119 . . . . 25114 1 45 no PDB 4TQA . "Crystal Structure Of A Gdp-bound G13d Oncogenic Mutant Of Human Gtpase Kras" . . . . . 89.84 169 99.40 99.40 4.56e-119 . . . . 25114 1 46 no PDB 4WA7 . "Crystal Structure Of A Gdp-bound Q61l Oncogenic Mutant Of Human Gt- Pase Kras" . . . . . 90.37 170 99.41 99.41 1.33e-119 . . . . 25114 1 47 no DBJ BAE33023 . "unnamed protein product [Mus musculus]" . . . . . 98.93 188 97.84 99.46 1.67e-130 . . . . 25114 1 48 no DBJ BAE37609 . "unnamed protein product [Mus musculus]" . . . . . 98.93 188 98.38 100.00 2.09e-131 . . . . 25114 1 49 no DBJ BAF85199 . "unnamed protein product [Homo sapiens]" . . . . . 98.93 188 100.00 100.00 9.48e-133 . . . . 25114 1 50 no DBJ BAJ17756 . "v-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog [synthetic construct]" . . . . . 98.93 188 100.00 100.00 9.48e-133 . . . . 25114 1 51 no EMBL CAA25624 . "p21 protein [Homo sapiens]" . . . . . 59.89 112 97.32 98.21 9.35e-73 . . . . 25114 1 52 no EMBL CAA26295 . "k-ras cellular oncogene [Mus musculus]" . . . . . 98.93 188 98.38 100.00 2.09e-131 . . . . 25114 1 53 no EMBL CAA37336 . "K-ras [Xenopus laevis]" . . . . . 98.93 187 97.84 97.84 3.33e-127 . . . . 25114 1 54 no EMBL CAA59755 . "turkey K-Ras [Meleagris gallopavo]" . . . . . 98.93 188 99.46 100.00 2.92e-132 . . . . 25114 1 55 no EMBL CAA76678 . "p21-ras protein [Platichthys flesus]" . . . . . 98.93 188 99.46 100.00 2.51e-132 . . . . 25114 1 56 no GB AAA35689 . "PR310 c-K-ras oncogene, partial [Homo sapiens]" . . . . . 80.21 150 98.00 98.67 1.17e-103 . . . . 25114 1 57 no GB AAA35690 . "PR371 c-K-ras oncogene, partial [Homo sapiens]" . . . . . 80.21 150 98.00 98.67 3.85e-103 . . . . 25114 1 58 no GB AAA36554 . "c-Ki-ras p21 protein, partial [Homo sapiens]" . . . . . 51.34 96 98.96 98.96 1.52e-62 . . . . 25114 1 59 no GB AAA42011 . "Ki-ras protein, partial [Rattus norvegicus]" . . . . . 51.34 96 97.92 97.92 5.54e-61 . . . . 25114 1 60 no GB AAA49429 . "ras-1 protein, partial [Oncorhynchus mykiss]" . . . . . 73.26 137 97.81 99.27 6.93e-94 . . . . 25114 1 61 no PIR A54321 . "transforming protein c-Ki-ras-1, hepatic - rainbow trout (fragment)" . . . . . 91.98 172 99.42 100.00 9.28e-123 . . . . 25114 1 62 no PRF 0909262B . "protein c-Ki-ras2" . . . . . 98.93 188 100.00 100.00 9.48e-133 . . . . 25114 1 63 no REF NP_001003744 . "GTPase KRas [Danio rerio]" . . . . . 98.93 188 97.30 98.38 8.75e-129 . . . . 25114 1 64 no REF NP_001028153 . "GTPase KRas precursor [Monodelphis domestica]" . . . . . 98.93 188 99.46 99.46 2.24e-131 . . . . 25114 1 65 no REF NP_001095209 . "GTPase KRas precursor [Xenopus laevis]" . . . . . 98.93 187 97.84 97.84 3.33e-127 . . . . 25114 1 66 no REF NP_001103471 . "GTPase KRas [Bos taurus]" . . . . . 98.93 188 100.00 100.00 1.07e-132 . . . . 25114 1 67 no REF NP_001184192 . "uncharacterized protein LOC100505423 [Xenopus laevis]" . . . . . 98.93 187 98.92 98.92 2.59e-129 . . . . 25114 1 68 no SP O42277 . "RecName: Full=GTPase KRas; AltName: Full=Ki-Ras; Short=K-ras; Flags: Precursor" . . . . . 98.93 188 98.38 100.00 3.14e-131 . . . . 25114 1 69 no SP P79800 . "RecName: Full=GTPase KRas; AltName: Full=K-Ras 2; AltName: Full=Ki-Ras; Short=K-ras; Flags: Precursor" . . . . . 98.93 188 99.46 100.00 2.92e-132 . . . . 25114 1 70 no SP Q05147 . "RecName: Full=GTPase KRas; AltName: Full=Ki-Ras; Short=K-ras; Flags: Precursor" . . . . . 98.93 187 97.84 97.84 3.33e-127 . . . . 25114 1 71 no SP Q07983 . "RecName: Full=GTPase KRas; AltName: Full=K-Ras 2; AltName: Full=Ki-Ras; AltName: Full=c-K-ras; AltName: Full=c-Ki-ras; Contains" . . . . . 98.93 188 99.46 99.46 2.24e-131 . . . . 25114 1 72 no SP Q5EFX7 . "RecName: Full=GTPase KRas; AltName: Full=Ki-Ras; Short=K-ras; Flags: Precursor" . . . . . 98.93 188 98.38 99.46 5.04e-130 . . . . 25114 1 73 no TPG DAA29418 . "TPA: v-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog [Bos taurus]" . . . . . 98.93 188 100.00 100.00 1.07e-132 . . . . 25114 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 25114 1 2 0 SER . 25114 1 3 1 MET . 25114 1 4 2 THR . 25114 1 5 3 GLU . 25114 1 6 4 TYR . 25114 1 7 5 LYS . 25114 1 8 6 LEU . 25114 1 9 7 VAL . 25114 1 10 8 VAL . 25114 1 11 9 VAL . 25114 1 12 10 GLY . 25114 1 13 11 ALA . 25114 1 14 12 GLY . 25114 1 15 13 GLY . 25114 1 16 14 VAL . 25114 1 17 15 GLY . 25114 1 18 16 LYS . 25114 1 19 17 SER . 25114 1 20 18 ALA . 25114 1 21 19 LEU . 25114 1 22 20 THR . 25114 1 23 21 ILE . 25114 1 24 22 GLN . 25114 1 25 23 LEU . 25114 1 26 24 ILE . 25114 1 27 25 GLN . 25114 1 28 26 ASN . 25114 1 29 27 HIS . 25114 1 30 28 PHE . 25114 1 31 29 VAL . 25114 1 32 30 ASP . 25114 1 33 31 GLU . 25114 1 34 32 TYR . 25114 1 35 33 ASP . 25114 1 36 34 PRO . 25114 1 37 35 THR . 25114 1 38 36 ILE . 25114 1 39 37 GLU . 25114 1 40 38 ASP . 25114 1 41 39 SER . 25114 1 42 40 TYR . 25114 1 43 41 ARG . 25114 1 44 42 LYS . 25114 1 45 43 GLN . 25114 1 46 44 VAL . 25114 1 47 45 VAL . 25114 1 48 46 ILE . 25114 1 49 47 ASP . 25114 1 50 48 GLY . 25114 1 51 49 GLU . 25114 1 52 50 THR . 25114 1 53 51 CYS . 25114 1 54 52 LEU . 25114 1 55 53 LEU . 25114 1 56 54 ASP . 25114 1 57 55 ILE . 25114 1 58 56 LEU . 25114 1 59 57 ASP . 25114 1 60 58 THR . 25114 1 61 59 ALA . 25114 1 62 60 GLY . 25114 1 63 61 GLN . 25114 1 64 62 GLU . 25114 1 65 63 GLU . 25114 1 66 64 TYR . 25114 1 67 65 SER . 25114 1 68 66 ALA . 25114 1 69 67 MET . 25114 1 70 68 ARG . 25114 1 71 69 ASP . 25114 1 72 70 GLN . 25114 1 73 71 TYR . 25114 1 74 72 MET . 25114 1 75 73 ARG . 25114 1 76 74 THR . 25114 1 77 75 GLY . 25114 1 78 76 GLU . 25114 1 79 77 GLY . 25114 1 80 78 PHE . 25114 1 81 79 LEU . 25114 1 82 80 CYS . 25114 1 83 81 VAL . 25114 1 84 82 PHE . 25114 1 85 83 ALA . 25114 1 86 84 ILE . 25114 1 87 85 ASN . 25114 1 88 86 ASN . 25114 1 89 87 THR . 25114 1 90 88 LYS . 25114 1 91 89 SER . 25114 1 92 90 PHE . 25114 1 93 91 GLU . 25114 1 94 92 ASP . 25114 1 95 93 ILE . 25114 1 96 94 HIS . 25114 1 97 95 HIS . 25114 1 98 96 TYR . 25114 1 99 97 ARG . 25114 1 100 98 GLU . 25114 1 101 99 GLN . 25114 1 102 100 ILE . 25114 1 103 101 LYS . 25114 1 104 102 ARG . 25114 1 105 103 VAL . 25114 1 106 104 LYS . 25114 1 107 105 ASP . 25114 1 108 106 SER . 25114 1 109 107 GLU . 25114 1 110 108 ASP . 25114 1 111 109 VAL . 25114 1 112 110 PRO . 25114 1 113 111 MET . 25114 1 114 112 VAL . 25114 1 115 113 LEU . 25114 1 116 114 VAL . 25114 1 117 115 GLY . 25114 1 118 116 ASN . 25114 1 119 117 LYS . 25114 1 120 118 CYS . 25114 1 121 119 ASP . 25114 1 122 120 LEU . 25114 1 123 121 PRO . 25114 1 124 122 SER . 25114 1 125 123 ARG . 25114 1 126 124 THR . 25114 1 127 125 VAL . 25114 1 128 126 ASP . 25114 1 129 127 THR . 25114 1 130 128 LYS . 25114 1 131 129 GLN . 25114 1 132 130 ALA . 25114 1 133 131 GLN . 25114 1 134 132 ASP . 25114 1 135 133 LEU . 25114 1 136 134 ALA . 25114 1 137 135 ARG . 25114 1 138 136 SER . 25114 1 139 137 TYR . 25114 1 140 138 GLY . 25114 1 141 139 ILE . 25114 1 142 140 PRO . 25114 1 143 141 PHE . 25114 1 144 142 ILE . 25114 1 145 143 GLU . 25114 1 146 144 THR . 25114 1 147 145 SER . 25114 1 148 146 ALA . 25114 1 149 147 LYS . 25114 1 150 148 THR . 25114 1 151 149 ARG . 25114 1 152 150 GLN . 25114 1 153 151 GLY . 25114 1 154 152 VAL . 25114 1 155 153 ASP . 25114 1 156 154 ASP . 25114 1 157 155 ALA . 25114 1 158 156 PHE . 25114 1 159 157 TYR . 25114 1 160 158 THR . 25114 1 161 159 LEU . 25114 1 162 160 VAL . 25114 1 163 161 ARG . 25114 1 164 162 GLU . 25114 1 165 163 ILE . 25114 1 166 164 ARG . 25114 1 167 165 LYS . 25114 1 168 166 HIS . 25114 1 169 167 LYS . 25114 1 170 168 GLU . 25114 1 171 169 LYS . 25114 1 172 170 MET . 25114 1 173 171 SER . 25114 1 174 172 LYS . 25114 1 175 173 ASP . 25114 1 176 174 GLY . 25114 1 177 175 LYS . 25114 1 178 176 LYS . 25114 1 179 177 LYS . 25114 1 180 178 LYS . 25114 1 181 179 LYS . 25114 1 182 180 LYS . 25114 1 183 181 SER . 25114 1 184 182 LYS . 25114 1 185 183 THR . 25114 1 186 184 LYS . 25114 1 187 185 CYS . 25114 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25114 1 . SER 2 2 25114 1 . MET 3 3 25114 1 . THR 4 4 25114 1 . GLU 5 5 25114 1 . TYR 6 6 25114 1 . LYS 7 7 25114 1 . LEU 8 8 25114 1 . VAL 9 9 25114 1 . VAL 10 10 25114 1 . VAL 11 11 25114 1 . GLY 12 12 25114 1 . ALA 13 13 25114 1 . GLY 14 14 25114 1 . GLY 15 15 25114 1 . VAL 16 16 25114 1 . GLY 17 17 25114 1 . LYS 18 18 25114 1 . SER 19 19 25114 1 . ALA 20 20 25114 1 . LEU 21 21 25114 1 . THR 22 22 25114 1 . ILE 23 23 25114 1 . GLN 24 24 25114 1 . LEU 25 25 25114 1 . ILE 26 26 25114 1 . GLN 27 27 25114 1 . ASN 28 28 25114 1 . HIS 29 29 25114 1 . PHE 30 30 25114 1 . VAL 31 31 25114 1 . ASP 32 32 25114 1 . GLU 33 33 25114 1 . TYR 34 34 25114 1 . ASP 35 35 25114 1 . PRO 36 36 25114 1 . THR 37 37 25114 1 . ILE 38 38 25114 1 . GLU 39 39 25114 1 . ASP 40 40 25114 1 . SER 41 41 25114 1 . TYR 42 42 25114 1 . ARG 43 43 25114 1 . LYS 44 44 25114 1 . GLN 45 45 25114 1 . VAL 46 46 25114 1 . VAL 47 47 25114 1 . ILE 48 48 25114 1 . ASP 49 49 25114 1 . GLY 50 50 25114 1 . GLU 51 51 25114 1 . THR 52 52 25114 1 . CYS 53 53 25114 1 . LEU 54 54 25114 1 . LEU 55 55 25114 1 . ASP 56 56 25114 1 . ILE 57 57 25114 1 . LEU 58 58 25114 1 . ASP 59 59 25114 1 . THR 60 60 25114 1 . ALA 61 61 25114 1 . GLY 62 62 25114 1 . GLN 63 63 25114 1 . GLU 64 64 25114 1 . GLU 65 65 25114 1 . TYR 66 66 25114 1 . SER 67 67 25114 1 . ALA 68 68 25114 1 . MET 69 69 25114 1 . ARG 70 70 25114 1 . ASP 71 71 25114 1 . GLN 72 72 25114 1 . TYR 73 73 25114 1 . MET 74 74 25114 1 . ARG 75 75 25114 1 . THR 76 76 25114 1 . GLY 77 77 25114 1 . GLU 78 78 25114 1 . GLY 79 79 25114 1 . PHE 80 80 25114 1 . LEU 81 81 25114 1 . CYS 82 82 25114 1 . VAL 83 83 25114 1 . PHE 84 84 25114 1 . ALA 85 85 25114 1 . ILE 86 86 25114 1 . ASN 87 87 25114 1 . ASN 88 88 25114 1 . THR 89 89 25114 1 . LYS 90 90 25114 1 . SER 91 91 25114 1 . PHE 92 92 25114 1 . GLU 93 93 25114 1 . ASP 94 94 25114 1 . ILE 95 95 25114 1 . HIS 96 96 25114 1 . HIS 97 97 25114 1 . TYR 98 98 25114 1 . ARG 99 99 25114 1 . GLU 100 100 25114 1 . GLN 101 101 25114 1 . ILE 102 102 25114 1 . LYS 103 103 25114 1 . ARG 104 104 25114 1 . VAL 105 105 25114 1 . LYS 106 106 25114 1 . ASP 107 107 25114 1 . SER 108 108 25114 1 . GLU 109 109 25114 1 . ASP 110 110 25114 1 . VAL 111 111 25114 1 . PRO 112 112 25114 1 . MET 113 113 25114 1 . VAL 114 114 25114 1 . LEU 115 115 25114 1 . VAL 116 116 25114 1 . GLY 117 117 25114 1 . ASN 118 118 25114 1 . LYS 119 119 25114 1 . CYS 120 120 25114 1 . ASP 121 121 25114 1 . LEU 122 122 25114 1 . PRO 123 123 25114 1 . SER 124 124 25114 1 . ARG 125 125 25114 1 . THR 126 126 25114 1 . VAL 127 127 25114 1 . ASP 128 128 25114 1 . THR 129 129 25114 1 . LYS 130 130 25114 1 . GLN 131 131 25114 1 . ALA 132 132 25114 1 . GLN 133 133 25114 1 . ASP 134 134 25114 1 . LEU 135 135 25114 1 . ALA 136 136 25114 1 . ARG 137 137 25114 1 . SER 138 138 25114 1 . TYR 139 139 25114 1 . GLY 140 140 25114 1 . ILE 141 141 25114 1 . PRO 142 142 25114 1 . PHE 143 143 25114 1 . ILE 144 144 25114 1 . GLU 145 145 25114 1 . THR 146 146 25114 1 . SER 147 147 25114 1 . ALA 148 148 25114 1 . LYS 149 149 25114 1 . THR 150 150 25114 1 . ARG 151 151 25114 1 . GLN 152 152 25114 1 . GLY 153 153 25114 1 . VAL 154 154 25114 1 . ASP 155 155 25114 1 . ASP 156 156 25114 1 . ALA 157 157 25114 1 . PHE 158 158 25114 1 . TYR 159 159 25114 1 . THR 160 160 25114 1 . LEU 161 161 25114 1 . VAL 162 162 25114 1 . ARG 163 163 25114 1 . GLU 164 164 25114 1 . ILE 165 165 25114 1 . ARG 166 166 25114 1 . LYS 167 167 25114 1 . HIS 168 168 25114 1 . LYS 169 169 25114 1 . GLU 170 170 25114 1 . LYS 171 171 25114 1 . MET 172 172 25114 1 . SER 173 173 25114 1 . LYS 174 174 25114 1 . ASP 175 175 25114 1 . GLY 176 176 25114 1 . LYS 177 177 25114 1 . LYS 178 178 25114 1 . LYS 179 179 25114 1 . LYS 180 180 25114 1 . LYS 181 181 25114 1 . LYS 182 182 25114 1 . SER 183 183 25114 1 . LYS 184 184 25114 1 . THR 185 185 25114 1 . LYS 186 186 25114 1 . CYS 187 187 25114 1 stop_ save_ save_membrane_scaffold_protein _Entity.Sf_category entity _Entity.Sf_framecode membrane_scaffold_protein _Entity.Entry_ID 25114 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name membrane_scaffold_protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLKLLDNWDSVTSTFSKLR EQLGPVTQEFWDNLEKETEG LRQEMSKDLEEVKAKVQPYL DDFQKKWQEEMELYRQKVEP LRAELQEGARQKLHELQEKL SPLGEEMRDRARAHVDALRT HLAPYSDELRQRLAARLEAL KENGGARLAEYHAKATEHLS TLSEKAKPALEDLRGELLPV LESFKVSFLSALEEYTKKLN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25114 2 2 . PRO . 25114 2 3 . LEU . 25114 2 4 . LYS . 25114 2 5 . LEU . 25114 2 6 . LEU . 25114 2 7 . ASP . 25114 2 8 . ASN . 25114 2 9 . TRP . 25114 2 10 . ASP . 25114 2 11 . SER . 25114 2 12 . VAL . 25114 2 13 . THR . 25114 2 14 . SER . 25114 2 15 . THR . 25114 2 16 . PHE . 25114 2 17 . SER . 25114 2 18 . LYS . 25114 2 19 . LEU . 25114 2 20 . ARG . 25114 2 21 . GLU . 25114 2 22 . GLN . 25114 2 23 . LEU . 25114 2 24 . GLY . 25114 2 25 . PRO . 25114 2 26 . VAL . 25114 2 27 . THR . 25114 2 28 . GLN . 25114 2 29 . GLU . 25114 2 30 . PHE . 25114 2 31 . TRP . 25114 2 32 . ASP . 25114 2 33 . ASN . 25114 2 34 . LEU . 25114 2 35 . GLU . 25114 2 36 . LYS . 25114 2 37 . GLU . 25114 2 38 . THR . 25114 2 39 . GLU . 25114 2 40 . GLY . 25114 2 41 . LEU . 25114 2 42 . ARG . 25114 2 43 . GLN . 25114 2 44 . GLU . 25114 2 45 . MET . 25114 2 46 . SER . 25114 2 47 . LYS . 25114 2 48 . ASP . 25114 2 49 . LEU . 25114 2 50 . GLU . 25114 2 51 . GLU . 25114 2 52 . VAL . 25114 2 53 . LYS . 25114 2 54 . ALA . 25114 2 55 . LYS . 25114 2 56 . VAL . 25114 2 57 . GLN . 25114 2 58 . PRO . 25114 2 59 . TYR . 25114 2 60 . LEU . 25114 2 61 . ASP . 25114 2 62 . ASP . 25114 2 63 . PHE . 25114 2 64 . GLN . 25114 2 65 . LYS . 25114 2 66 . LYS . 25114 2 67 . TRP . 25114 2 68 . GLN . 25114 2 69 . GLU . 25114 2 70 . GLU . 25114 2 71 . MET . 25114 2 72 . GLU . 25114 2 73 . LEU . 25114 2 74 . TYR . 25114 2 75 . ARG . 25114 2 76 . GLN . 25114 2 77 . LYS . 25114 2 78 . VAL . 25114 2 79 . GLU . 25114 2 80 . PRO . 25114 2 81 . LEU . 25114 2 82 . ARG . 25114 2 83 . ALA . 25114 2 84 . GLU . 25114 2 85 . LEU . 25114 2 86 . GLN . 25114 2 87 . GLU . 25114 2 88 . GLY . 25114 2 89 . ALA . 25114 2 90 . ARG . 25114 2 91 . GLN . 25114 2 92 . LYS . 25114 2 93 . LEU . 25114 2 94 . HIS . 25114 2 95 . GLU . 25114 2 96 . LEU . 25114 2 97 . GLN . 25114 2 98 . GLU . 25114 2 99 . LYS . 25114 2 100 . LEU . 25114 2 101 . SER . 25114 2 102 . PRO . 25114 2 103 . LEU . 25114 2 104 . GLY . 25114 2 105 . GLU . 25114 2 106 . GLU . 25114 2 107 . MET . 25114 2 108 . ARG . 25114 2 109 . ASP . 25114 2 110 . ARG . 25114 2 111 . ALA . 25114 2 112 . ARG . 25114 2 113 . ALA . 25114 2 114 . HIS . 25114 2 115 . VAL . 25114 2 116 . ASP . 25114 2 117 . ALA . 25114 2 118 . LEU . 25114 2 119 . ARG . 25114 2 120 . THR . 25114 2 121 . HIS . 25114 2 122 . LEU . 25114 2 123 . ALA . 25114 2 124 . PRO . 25114 2 125 . TYR . 25114 2 126 . SER . 25114 2 127 . ASP . 25114 2 128 . GLU . 25114 2 129 . LEU . 25114 2 130 . ARG . 25114 2 131 . GLN . 25114 2 132 . ARG . 25114 2 133 . LEU . 25114 2 134 . ALA . 25114 2 135 . ALA . 25114 2 136 . ARG . 25114 2 137 . LEU . 25114 2 138 . GLU . 25114 2 139 . ALA . 25114 2 140 . LEU . 25114 2 141 . LYS . 25114 2 142 . GLU . 25114 2 143 . ASN . 25114 2 144 . GLY . 25114 2 145 . GLY . 25114 2 146 . ALA . 25114 2 147 . ARG . 25114 2 148 . LEU . 25114 2 149 . ALA . 25114 2 150 . GLU . 25114 2 151 . TYR . 25114 2 152 . HIS . 25114 2 153 . ALA . 25114 2 154 . LYS . 25114 2 155 . ALA . 25114 2 156 . THR . 25114 2 157 . GLU . 25114 2 158 . HIS . 25114 2 159 . LEU . 25114 2 160 . SER . 25114 2 161 . THR . 25114 2 162 . LEU . 25114 2 163 . SER . 25114 2 164 . GLU . 25114 2 165 . LYS . 25114 2 166 . ALA . 25114 2 167 . LYS . 25114 2 168 . PRO . 25114 2 169 . ALA . 25114 2 170 . LEU . 25114 2 171 . GLU . 25114 2 172 . ASP . 25114 2 173 . LEU . 25114 2 174 . ARG . 25114 2 175 . GLY . 25114 2 176 . GLU . 25114 2 177 . LEU . 25114 2 178 . LEU . 25114 2 179 . PRO . 25114 2 180 . VAL . 25114 2 181 . LEU . 25114 2 182 . GLU . 25114 2 183 . SER . 25114 2 184 . PHE . 25114 2 185 . LYS . 25114 2 186 . VAL . 25114 2 187 . SER . 25114 2 188 . PHE . 25114 2 189 . LEU . 25114 2 190 . SER . 25114 2 191 . ALA . 25114 2 192 . LEU . 25114 2 193 . GLU . 25114 2 194 . GLU . 25114 2 195 . TYR . 25114 2 196 . THR . 25114 2 197 . LYS . 25114 2 198 . LYS . 25114 2 199 . LEU . 25114 2 200 . ASN . 25114 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25114 2 . PRO 2 2 25114 2 . LEU 3 3 25114 2 . LYS 4 4 25114 2 . LEU 5 5 25114 2 . LEU 6 6 25114 2 . ASP 7 7 25114 2 . ASN 8 8 25114 2 . TRP 9 9 25114 2 . ASP 10 10 25114 2 . SER 11 11 25114 2 . VAL 12 12 25114 2 . THR 13 13 25114 2 . SER 14 14 25114 2 . THR 15 15 25114 2 . PHE 16 16 25114 2 . SER 17 17 25114 2 . LYS 18 18 25114 2 . LEU 19 19 25114 2 . ARG 20 20 25114 2 . GLU 21 21 25114 2 . GLN 22 22 25114 2 . LEU 23 23 25114 2 . GLY 24 24 25114 2 . PRO 25 25 25114 2 . VAL 26 26 25114 2 . THR 27 27 25114 2 . GLN 28 28 25114 2 . GLU 29 29 25114 2 . PHE 30 30 25114 2 . TRP 31 31 25114 2 . ASP 32 32 25114 2 . ASN 33 33 25114 2 . LEU 34 34 25114 2 . GLU 35 35 25114 2 . LYS 36 36 25114 2 . GLU 37 37 25114 2 . THR 38 38 25114 2 . GLU 39 39 25114 2 . GLY 40 40 25114 2 . LEU 41 41 25114 2 . ARG 42 42 25114 2 . GLN 43 43 25114 2 . GLU 44 44 25114 2 . MET 45 45 25114 2 . SER 46 46 25114 2 . LYS 47 47 25114 2 . ASP 48 48 25114 2 . LEU 49 49 25114 2 . GLU 50 50 25114 2 . GLU 51 51 25114 2 . VAL 52 52 25114 2 . LYS 53 53 25114 2 . ALA 54 54 25114 2 . LYS 55 55 25114 2 . VAL 56 56 25114 2 . GLN 57 57 25114 2 . PRO 58 58 25114 2 . TYR 59 59 25114 2 . LEU 60 60 25114 2 . ASP 61 61 25114 2 . ASP 62 62 25114 2 . PHE 63 63 25114 2 . GLN 64 64 25114 2 . LYS 65 65 25114 2 . LYS 66 66 25114 2 . TRP 67 67 25114 2 . GLN 68 68 25114 2 . GLU 69 69 25114 2 . GLU 70 70 25114 2 . MET 71 71 25114 2 . GLU 72 72 25114 2 . LEU 73 73 25114 2 . TYR 74 74 25114 2 . ARG 75 75 25114 2 . GLN 76 76 25114 2 . LYS 77 77 25114 2 . VAL 78 78 25114 2 . GLU 79 79 25114 2 . PRO 80 80 25114 2 . LEU 81 81 25114 2 . ARG 82 82 25114 2 . ALA 83 83 25114 2 . GLU 84 84 25114 2 . LEU 85 85 25114 2 . GLN 86 86 25114 2 . GLU 87 87 25114 2 . GLY 88 88 25114 2 . ALA 89 89 25114 2 . ARG 90 90 25114 2 . GLN 91 91 25114 2 . LYS 92 92 25114 2 . LEU 93 93 25114 2 . HIS 94 94 25114 2 . GLU 95 95 25114 2 . LEU 96 96 25114 2 . GLN 97 97 25114 2 . GLU 98 98 25114 2 . LYS 99 99 25114 2 . LEU 100 100 25114 2 . SER 101 101 25114 2 . PRO 102 102 25114 2 . LEU 103 103 25114 2 . GLY 104 104 25114 2 . GLU 105 105 25114 2 . GLU 106 106 25114 2 . MET 107 107 25114 2 . ARG 108 108 25114 2 . ASP 109 109 25114 2 . ARG 110 110 25114 2 . ALA 111 111 25114 2 . ARG 112 112 25114 2 . ALA 113 113 25114 2 . HIS 114 114 25114 2 . VAL 115 115 25114 2 . ASP 116 116 25114 2 . ALA 117 117 25114 2 . LEU 118 118 25114 2 . ARG 119 119 25114 2 . THR 120 120 25114 2 . HIS 121 121 25114 2 . LEU 122 122 25114 2 . ALA 123 123 25114 2 . PRO 124 124 25114 2 . TYR 125 125 25114 2 . SER 126 126 25114 2 . ASP 127 127 25114 2 . GLU 128 128 25114 2 . LEU 129 129 25114 2 . ARG 130 130 25114 2 . GLN 131 131 25114 2 . ARG 132 132 25114 2 . LEU 133 133 25114 2 . ALA 134 134 25114 2 . ALA 135 135 25114 2 . ARG 136 136 25114 2 . LEU 137 137 25114 2 . GLU 138 138 25114 2 . ALA 139 139 25114 2 . LEU 140 140 25114 2 . LYS 141 141 25114 2 . GLU 142 142 25114 2 . ASN 143 143 25114 2 . GLY 144 144 25114 2 . GLY 145 145 25114 2 . ALA 146 146 25114 2 . ARG 147 147 25114 2 . LEU 148 148 25114 2 . ALA 149 149 25114 2 . GLU 150 150 25114 2 . TYR 151 151 25114 2 . HIS 152 152 25114 2 . ALA 153 153 25114 2 . LYS 154 154 25114 2 . ALA 155 155 25114 2 . THR 156 156 25114 2 . GLU 157 157 25114 2 . HIS 158 158 25114 2 . LEU 159 159 25114 2 . SER 160 160 25114 2 . THR 161 161 25114 2 . LEU 162 162 25114 2 . SER 163 163 25114 2 . GLU 164 164 25114 2 . LYS 165 165 25114 2 . ALA 166 166 25114 2 . LYS 167 167 25114 2 . PRO 168 168 25114 2 . ALA 169 169 25114 2 . LEU 170 170 25114 2 . GLU 171 171 25114 2 . ASP 172 172 25114 2 . LEU 173 173 25114 2 . ARG 174 174 25114 2 . GLY 175 175 25114 2 . GLU 176 176 25114 2 . LEU 177 177 25114 2 . LEU 178 178 25114 2 . PRO 179 179 25114 2 . VAL 180 180 25114 2 . LEU 181 181 25114 2 . GLU 182 182 25114 2 . SER 183 183 25114 2 . PHE 184 184 25114 2 . LYS 185 185 25114 2 . VAL 186 186 25114 2 . SER 187 187 25114 2 . PHE 188 188 25114 2 . LEU 189 189 25114 2 . SER 190 190 25114 2 . ALA 191 191 25114 2 . LEU 192 192 25114 2 . GLU 193 193 25114 2 . GLU 194 194 25114 2 . TYR 195 195 25114 2 . THR 196 196 25114 2 . LYS 197 197 25114 2 . LYS 198 198 25114 2 . LEU 199 199 25114 2 . ASN 200 200 25114 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25114 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $K-Ras . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25114 1 2 2 $membrane_scaffold_protein . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25114 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25114 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $K-Ras . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-28 . . . 25114 1 2 2 $membrane_scaffold_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pGBHPS MSP' . . . 25114 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25114 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25114 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25114 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25114 1 4 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 25114 1 5 K-Ras '[U-15N, Ile C-delta-13C]' . . 1 $K-Ras . . 0.6 . . mM . . . . 25114 1 6 'membrane scaffold protein' 'natural abundance' . . 2 $membrane_scaffold_protein . . 0.6 . . mM . . . . 25114 1 7 GUANOSINE-5'-DIPHOSPHATE 'natural abundance' . . . . . . 0.6 . . mM . . . . 25114 1 8 1,2-dioleoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 18.75 . . mM . . . . 25114 1 9 1,2-dioleoyl-sn-glycero-3-phospho-L-serine 'natural abundance' . . . . . . 5 . . mM . . . . 25114 1 10 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide] 'natural abundance' . . . . . . 1.25 . . mM . . . . 25114 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25114 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25114 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25114 2 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25114 2 4 Magnesium 'natural abundance' . . . . . . 5 . . mM . . . . 25114 2 5 K-Ras '[U-15N, Ile C-delta-13C]' . . 1 $K-Ras . . 0.6 . . mM . . . . 25114 2 6 'membrane scaffold protein' 'natural abundance' . . 2 $membrane_scaffold_protein . . 0.6 . . mM . . . . 25114 2 7 GUANOSINE-5'-DIPHOSPHATE 'natural abundance' . . . . . . 0.6 . . mM . . . . 25114 2 8 1,2-dioleoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 18.75 . . mM . . . . 25114 2 9 1,2-dioleoyl-sn-glycero-3-phospho-L-serine 'natural abundance' . . . . . . 5 . . mM . . . . 25114 2 10 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N-[4-(p-maleimidomethyl)cyclohexane-carboxamide] 'natural abundance' . . . . . . 1.25 . . mM . . . . 25114 2 11 '1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (gadolinium salt)' 'natural abundance' . . . . . . 0.65 . . mM . . . . 25114 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25114 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.105 . M 25114 1 pH 7.4 . pH 25114 1 pressure 1 . atm 25114 1 temperature 298.2 . K 25114 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25114 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details 'CNS was used in all structure calculation using Haddock scripts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25114 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25114 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25114 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25114 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25114 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25114 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25114 3 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 25114 _Software.ID 4 _Software.Name HADDOCK _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 25114 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25114 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25114 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25114 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25114 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25114 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25114 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25114 6 stop_ save_ save_CHARMM-GUI _Software.Sf_category software _Software.Sf_framecode CHARMM-GUI _Software.Entry_ID 25114 _Software.ID 7 _Software.Name CHARMM-GUI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'CHARMM-GUI (S. Jo, T. Kim, V.G. Iyer, and W. Im)' . http://www.charmm-gui.org/ 25114 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25114 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25114 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25114 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25114 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25114 _Experiment_list.ID 1 _Experiment_list.Details 'All PRE measurements were carrried out on the C-delta of Ile residues.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25114 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25114 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25114 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25144920 . . . . . . . . . 25114 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 25114 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25114 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; K-RAS isoleucine C -methyl resonances were first tentatively assigned based on assignments of T35S H-RAS-GMPPNP (BMRB code: 17610), and then remaining ambiguous assignments were resolved by mutagenesis of isoleucines 21, 36, 100, 139, and 163 to leucine residues. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 25114 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 23 23 ILE HD11 H 1 0.004 . . 1 . . . B 21 ILE HD . 25114 1 2 . 1 1 23 23 ILE HD12 H 1 0.004 . . 1 . . . B 21 ILE HD . 25114 1 3 . 1 1 23 23 ILE HD13 H 1 0.004 . . 1 . . . B 21 ILE HD . 25114 1 4 . 1 1 23 23 ILE CD1 C 13 8.650 . . 1 . . . B 21 ILE CD1 . 25114 1 5 . 1 1 26 26 ILE HD11 H 1 0.395 . . 1 . . . B 24 ILE HD . 25114 1 6 . 1 1 26 26 ILE HD12 H 1 0.395 . . 1 . . . B 24 ILE HD . 25114 1 7 . 1 1 26 26 ILE HD13 H 1 0.395 . . 1 . . . B 24 ILE HD . 25114 1 8 . 1 1 26 26 ILE CD1 C 13 8.120 . . 1 . . . B 24 ILE CD1 . 25114 1 9 . 1 1 38 38 ILE HD11 H 1 0.633 . . 1 . . . B 36 ILE HD . 25114 1 10 . 1 1 38 38 ILE HD12 H 1 0.633 . . 1 . . . B 36 ILE HD . 25114 1 11 . 1 1 38 38 ILE HD13 H 1 0.633 . . 1 . . . B 36 ILE HD . 25114 1 12 . 1 1 38 38 ILE CD1 C 13 10.086 . . 1 . . . B 36 ILE CD1 . 25114 1 13 . 1 1 48 48 ILE HD11 H 1 0.391 . . 1 . . . B 46 ILE HD . 25114 1 14 . 1 1 48 48 ILE HD12 H 1 0.391 . . 1 . . . B 46 ILE HD . 25114 1 15 . 1 1 48 48 ILE HD13 H 1 0.391 . . 1 . . . B 46 ILE HD . 25114 1 16 . 1 1 48 48 ILE CD1 C 13 12.548 . . 1 . . . B 46 ILE CD1 . 25114 1 17 . 1 1 57 57 ILE HD11 H 1 0.468 . . 1 . . . B 55 ILE HD . 25114 1 18 . 1 1 57 57 ILE HD12 H 1 0.468 . . 1 . . . B 55 ILE HD . 25114 1 19 . 1 1 57 57 ILE HD13 H 1 0.468 . . 1 . . . B 55 ILE HD . 25114 1 20 . 1 1 57 57 ILE CD1 C 13 12.843 . . 1 . . . B 55 ILE CD1 . 25114 1 21 . 1 1 86 86 ILE HD11 H 1 0.705 . . 1 . . . B 84 ILE HD . 25114 1 22 . 1 1 86 86 ILE HD12 H 1 0.705 . . 1 . . . B 84 ILE HD . 25114 1 23 . 1 1 86 86 ILE HD13 H 1 0.705 . . 1 . . . B 84 ILE HD . 25114 1 24 . 1 1 86 86 ILE CD1 C 13 12.668 . . 1 . . . B 84 ILE CD1 . 25114 1 25 . 1 1 95 95 ILE HD11 H 1 0.744 . . 1 . . . B 93 ILE HD . 25114 1 26 . 1 1 95 95 ILE HD12 H 1 0.744 . . 1 . . . B 93 ILE HD . 25114 1 27 . 1 1 95 95 ILE HD13 H 1 0.744 . . 1 . . . B 93 ILE HD . 25114 1 28 . 1 1 95 95 ILE CD1 C 13 6.599 . . 1 . . . B 93 ILE CD1 . 25114 1 29 . 1 1 102 102 ILE HD11 H 1 0.316 . . 1 . . . B 100 ILE HD . 25114 1 30 . 1 1 102 102 ILE HD12 H 1 0.316 . . 1 . . . B 100 ILE HD . 25114 1 31 . 1 1 102 102 ILE HD13 H 1 0.316 . . 1 . . . B 100 ILE HD . 25114 1 32 . 1 1 102 102 ILE CD1 C 13 12.908 . . 1 . . . B 100 ILE CD1 . 25114 1 33 . 1 1 141 141 ILE HD11 H 1 0.816 . . 1 . . . B 139 ILE HD . 25114 1 34 . 1 1 141 141 ILE HD12 H 1 0.816 . . 1 . . . B 139 ILE HD . 25114 1 35 . 1 1 141 141 ILE HD13 H 1 0.816 . . 1 . . . B 139 ILE HD . 25114 1 36 . 1 1 141 141 ILE CD1 C 13 12.540 . . 1 . . . B 139 ILE CD1 . 25114 1 37 . 1 1 144 144 ILE HD11 H 1 0.632 . . 1 . . . B 142 ILE HD . 25114 1 38 . 1 1 144 144 ILE HD12 H 1 0.632 . . 1 . . . B 142 ILE HD . 25114 1 39 . 1 1 144 144 ILE HD13 H 1 0.632 . . 1 . . . B 142 ILE HD . 25114 1 40 . 1 1 144 144 ILE CD1 C 13 11.137 . . 1 . . . B 142 ILE CD1 . 25114 1 41 . 1 1 165 165 ILE HD11 H 1 0.595 . . 1 . . . B 163 ILE HD . 25114 1 42 . 1 1 165 165 ILE HD12 H 1 0.595 . . 1 . . . B 163 ILE HD . 25114 1 43 . 1 1 165 165 ILE HD13 H 1 0.595 . . 1 . . . B 163 ILE HD . 25114 1 44 . 1 1 165 165 ILE CD1 C 13 13.194 . . 1 . . . B 163 ILE CD1 . 25114 1 stop_ save_