data_6778 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6778 _Entry.Title ; NMR and molecular dynamics studies of the interaction of melatonin with calodulin ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2005-08-16 _Entry.Accession_date 2005-08-16 _Entry.Last_release_date 2013-02-15 _Entry.Original_release_date 2013-02-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 Adrian Turjanski . G. . 6778 2 Dario Estrin . A. . 6778 3 Ruth Rosenstein . E. . 6778 4 John McCormick . E. . 6778 5 Stephen Martin . R. . 6778 6 Annalisa Pastore . . . 6778 7 Rodolfo Biekofsky . R. . 6778 8 Vincenzo Martorana . . . 6778 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6778 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 14 6778 '1H chemical shifts' 14 6778 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 1 . . 2013-02-15 2005-08-16 original author . 6778 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6778 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15498938 _Citation.Full_citation . _Citation.Title ; NMR and molecular dynamics studies of the interaction of melatonin with calmodulin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 11 _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 2925 _Citation.Page_last 2935 _Citation.Year 2004 _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 Adrian Turjanski . G. . 6778 1 2 Dario Estrin . A. . 6778 1 3 Ruth Rosenstein . E. . 6778 1 4 John McCormick . E. . 6778 1 5 Stephen Martin . R. . 6778 1 6 Annalisa Pastore . . . 6778 1 7 Rodolfo Biekofsky . R. . 6778 1 8 Vincenzo Martorana . . . 6778 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6778 _Assembly.ID 1 _Assembly.Name CaM-melatonin _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic yes _Assembly.Thiol_state 'not present' _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 'calmodulin unit A' 1 $CaM . . yes native no yes . . . 6778 1 2 'calmodulin unit B' 1 $CaM . . yes native no yes . . . 6778 1 3 melatonin 2 $melatonin . . . . . . . . . 6778 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 6778 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGFI SAAELRHVMTNLGEKLTDEE VDEMIREANIDGDGQVNYEE FVTMMTSK ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _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 2015-01-28 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 15184 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 2 no BMRB 15185 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 3 no BMRB 15186 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 4 no BMRB 15191 . Calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 5 no BMRB 15470 . calmodulin . . . . . 100.00 148 97.97 99.32 2.19e-98 . . . . 6778 1 6 no BMRB 15624 . Calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 7 no BMRB 1634 . calmodulin . . . . . 100.00 148 100.00 100.00 5.00e-100 . . . . 6778 1 8 no BMRB 16418 . apoCaM . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 9 no BMRB 16465 . entity_1 . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 10 no BMRB 1648 . calmodulin . . . . . 100.00 148 100.00 100.00 5.00e-100 . . . . 6778 1 11 no BMRB 16764 . CALMODULIN . . . . . 100.00 150 97.30 99.32 1.85e-97 . . . . 6778 1 12 no BMRB 17264 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 13 no BMRB 17360 . entity_1 . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 14 no BMRB 17771 . Calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 15 no BMRB 17807 . Calmodulin . . . . . 99.32 147 97.28 99.32 8.51e-97 . . . . 6778 1 16 no BMRB 18027 . CaM . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 17 no BMRB 18028 . CaM . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 18 no BMRB 18556 . Calmodulin . . . . . 100.00 148 98.65 100.00 1.13e-98 . . . . 6778 1 19 no BMRB 19036 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 20 no BMRB 19238 . Calmodulin_prototypical_calcium_sensor . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 21 no BMRB 19586 . entity_1 . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 22 no BMRB 19604 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 23 no BMRB 26503 . Calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 24 no BMRB 4056 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 25 no BMRB 5227 . CaM . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 26 no BMRB 547 . calmodulin . . . . . 100.00 148 100.00 100.00 5.00e-100 . . . . 6778 1 27 no BMRB 6541 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 28 no BMRB 6798 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 29 no BMRB 6802 . calmodulin . . . . . 100.00 148 97.30 98.65 9.71e-97 . . . . 6778 1 30 no BMRB 6825 . calmodulin . . . . . 100.00 148 97.30 98.65 9.71e-97 . . . . 6778 1 31 no BMRB 6830 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 32 no BMRB 6831 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 33 no BMRB 7018 . calmodulin . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 34 no BMRB 7028 . calmodulin . . . . . 100.00 148 97.30 98.65 9.71e-97 . . . . 6778 1 35 no BMRB 7029 . calmodulin . . . . . 100.00 148 97.30 98.65 9.71e-97 . . . . 6778 1 36 no BMRB 7030 . calmodulin . . . . . 100.00 148 97.30 98.65 9.71e-97 . . . . 6778 1 37 no BMRB 7031 . calmodulin . . . . . 100.00 148 97.30 98.65 9.71e-97 . . . . 6778 1 38 no PDB 1A29 . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 39 no PDB 1AHR . "Calmodulin Mutant With A Two Residue Deletion In The Central Helix" . . . . . 100.00 146 97.97 98.65 1.33e-95 . . . . 6778 1 40 no PDB 1CFC . "Calcium-Free Calmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 41 no PDB 1CFD . "Calcium-Free Calmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 42 no PDB 1CFF . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 43 no PDB 1CKK . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 44 no PDB 1CLL . "Calmodulin Structure Refined At 1.7 Angstroms Resolution" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 45 no PDB 1CM1 . "Motions Of Calmodulin-Single-Conformer Refinement" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 46 no PDB 1CM4 . "Motions Of Calmodulin-four-conformer Refinement" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 47 no PDB 1CTR . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 48 no PDB 1DMO . "Calmodulin, Nmr, 30 Structures" . . . . . 100.00 148 97.97 99.32 2.19e-98 . . . . 6778 1 49 no PDB 1G4Y . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 50 no PDB 1IQ5 . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 51 no PDB 1IWQ . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 52 no PDB 1K90 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 53 no PDB 1K93 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin" . . . . . 97.30 144 97.22 99.31 1.89e-94 . . . . 6778 1 54 no PDB 1L7Z . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 55 no PDB 1LIN . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 56 no PDB 1LVC . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 57 no PDB 1MUX . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 58 no PDB 1MXE . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki" . . . . . 100.00 148 99.32 100.00 3.10e-99 . . . . 6778 1 59 no PDB 1NWD . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 60 no PDB 1OOJ . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin" . . . . . 100.00 149 98.65 100.00 1.71e-98 . . . . 6778 1 61 no PDB 1QIV . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 62 no PDB 1QIW . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 63 no PDB 1QX5 . "Crystal Structure Of Apocalmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 64 no PDB 1S26 . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 65 no PDB 1SK6 . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 66 no PDB 1SY9 . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 67 no PDB 1WRZ . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 68 no PDB 1X02 . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 69 no PDB 1XA5 . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 70 no PDB 1Y0V . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate" . . . . . 97.30 146 97.22 99.31 1.32e-94 . . . . 6778 1 71 no PDB 1YR5 . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 72 no PDB 2BBM . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 99.32 100.00 3.10e-99 . . . . 6778 1 73 no PDB 2BBN . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr" . . . . . 100.00 148 99.32 100.00 3.10e-99 . . . . 6778 1 74 no PDB 2BCX . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 75 no PDB 2BKH . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 76 no PDB 2BKI . "Myosin Vi Nucleotide-Free (Mdinsert2-Iq) Crystal Structure" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 77 no PDB 2DFS . "3-D Structure Of Myosin-V Inhibited State" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 78 no PDB 2F2O . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 97.30 99.32 3.30e-97 . . . . 6778 1 79 no PDB 2F2P . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode" . . . . . 100.00 179 97.30 99.32 3.30e-97 . . . . 6778 1 80 no PDB 2F3Y . "CalmodulinIQ DOMAIN COMPLEX" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 81 no PDB 2F3Z . "CalmodulinIQ-Aa Domain Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 82 no PDB 2FOT . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 83 no PDB 2HQW . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 84 no PDB 2JZI . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 85 no PDB 2K0E . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 86 no PDB 2K0F . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 87 no PDB 2KDU . "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 88 no PDB 2KNE . "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 89 no PDB 2L53 . "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 90 no PDB 2L7L . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 91 no PDB 2LGF . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin" . . . . . 98.65 146 97.26 99.32 4.83e-96 . . . . 6778 1 92 no PDB 2LL6 . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 93 no PDB 2LL7 . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 94 no PDB 2LV6 . "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" . . . . . 100.00 148 98.65 100.00 1.13e-98 . . . . 6778 1 95 no PDB 2M0J . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 96 no PDB 2M0K . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 97 no PDB 2M55 . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 98 no PDB 2MG5 . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 99 no PDB 2MGU . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 100 no PDB 2O5G . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 101 no PDB 2O60 . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 102 no PDB 2R28 . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 103 no PDB 2V01 . "Recombinant Vertebrate Calmodulin Complexed With Pb" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 104 no PDB 2V02 . "Recombinant Vertebrate Calmodulin Complexed With Ba" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 105 no PDB 2VAS . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 106 no PDB 2VAY . "Calmodulin Complexed With Cav1.1 Iq Peptide" . . . . . 98.65 146 97.26 99.32 4.83e-96 . . . . 6778 1 107 no PDB 2VB6 . "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)" . . . . . 100.00 149 98.65 100.00 9.88e-99 . . . . 6778 1 108 no PDB 2W73 . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 109 no PDB 2WEL . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin" . . . . . 100.00 150 97.30 99.32 1.45e-97 . . . . 6778 1 110 no PDB 2X0G . "X-ray Structure Of A Dap-kinase Calmodulin Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 111 no PDB 2X51 . "M6 Delta Insert1" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 112 no PDB 2Y4V . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 113 no PDB 2YGG . "Complex Of Cambr And Cam" . . . . . 100.00 150 97.30 99.32 1.42e-97 . . . . 6778 1 114 no PDB 3BXK . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 115 no PDB 3BXL . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 116 no PDB 3BYA . "Structure Of A Calmodulin Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 117 no PDB 3CLN . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution" . . . . . 100.00 148 97.97 99.32 2.19e-98 . . . . 6778 1 118 no PDB 3DVE . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 119 no PDB 3DVJ . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 120 no PDB 3DVK . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 121 no PDB 3DVM . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 122 no PDB 3EK4 . "Calcium-saturated Gcamp2 Monomer" . . . . . 99.32 449 97.28 99.32 2.87e-93 . . . . 6778 1 123 no PDB 3EK7 . "Calcium-Saturated Gcamp2 Dimer" . . . . . 99.32 449 97.28 99.32 2.87e-93 . . . . 6778 1 124 no PDB 3EK8 . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER" . . . . . 99.32 449 97.28 99.32 2.90e-93 . . . . 6778 1 125 no PDB 3EVU . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)" . . . . . 99.32 449 97.28 99.32 2.87e-93 . . . . 6778 1 126 no PDB 3EVV . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)" . . . . . 99.32 449 97.28 99.32 2.87e-93 . . . . 6778 1 127 no PDB 3EWT . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 97.30 99.32 6.35e-98 . . . . 6778 1 128 no PDB 3EWV . "Crystal Structure Of Calmodulin Complexed With A Peptide" . . . . . 100.00 154 97.30 99.32 6.35e-98 . . . . 6778 1 129 no PDB 3G43 . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 130 no PDB 3GN4 . "Myosin Lever Arm" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 131 no PDB 3GOF . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 132 no PDB 3HR4 . "Human Inos Reductase And Calmodulin Complex" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 133 no PDB 3IF7 . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 134 no PDB 3J41 . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 135 no PDB 3L9I . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 136 no PDB 3O77 . "The Structure Of Ca2+ Sensor (Case-16)" . . . . . 99.32 415 97.28 99.32 1.86e-93 . . . . 6778 1 137 no PDB 3O78 . "The Structure Of Ca2+ Sensor (Case-12)" . . . . . 99.32 415 97.28 99.32 1.80e-93 . . . . 6778 1 138 no PDB 3OXQ . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 139 no PDB 3SG6 . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)" . . . . . 99.32 450 97.28 99.32 2.76e-93 . . . . 6778 1 140 no PDB 3SJQ . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 141 no PDB 3SUI . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 142 no PDB 3WFN . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam" . . . . . 100.00 182 97.30 99.32 2.07e-97 . . . . 6778 1 143 no PDB 4ANJ . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 144 no PDB 4BW7 . "Calmodulin In Complex With Strontium" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 145 no PDB 4BW8 . "Calmodulin With Small Bend In Central Helix" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 146 no PDB 4BYF . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 147 no PDB 4CLN . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution" . . . . . 100.00 148 99.32 100.00 3.10e-99 . . . . 6778 1 148 no PDB 4DBP . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 149 no PDB 4DBQ . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 150 no PDB 4DCK . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 151 no PDB 4DJC . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX" . . . . . 100.00 152 97.30 99.32 1.33e-97 . . . . 6778 1 152 no PDB 4E50 . "Calmodulin And Ng Peptide Complex" . . . . . 100.00 185 97.30 99.32 1.04e-97 . . . . 6778 1 153 no PDB 4EHQ . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 154 no PDB 4G27 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 155 no PDB 4G28 . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 156 no PDB 4HEX . "A Novel Conformation Of Calmodulin" . . . . . 100.00 156 97.30 99.32 7.42e-98 . . . . 6778 1 157 no PDB 4J9Y . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 158 no PDB 4J9Z . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 159 no PDB 4JPZ . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 160 no PDB 4JQ0 . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 161 no PDB 4L79 . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 162 no PDB 4LZX . "Complex Of Iqcg And Ca2+-free Cam" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 163 no PDB 4M1L . "Complex Of Iqcg And Ca2+-bound Cam" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 164 no PDB 4Q5U . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 165 no PDB 4R8G . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 166 no PDB 4UMO . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 167 no PDB 4UPU . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 168 no PDB 4V0C . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 169 no DBJ BAA08302 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 170 no DBJ BAA11896 . "calmodulin [Anas platyrhynchos]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 171 no DBJ BAA19786 . "calmodulin [Branchiostoma lanceolatum]" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 172 no DBJ BAA19787 . "calmodulin [Branchiostoma floridae]" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 173 no DBJ BAA19788 . "calmodulin [Halocynthia roretzi]" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 174 no EMBL CAA10601 . "calmodulin [Caenorhabditis elegans]" . . . . . 100.00 149 98.65 100.00 1.71e-98 . . . . 6778 1 175 no EMBL CAA32050 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 176 no EMBL CAA32062 . "calmodulin II [Rattus norvegicus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 177 no EMBL CAA32119 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 178 no EMBL CAA32120 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 179 no GB AAA35635 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 180 no GB AAA35641 . "calmodulin [Homo sapiens]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 181 no GB AAA37365 . "calmodulin synthesis [Mus musculus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 182 no GB AAA40862 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 183 no GB AAA40863 . "calmodulin [Rattus norvegicus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 184 no PIR JC1305 . "calmodulin - Japanese medaka" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 185 no PIR MCON . "calmodulin - salmon" . . . . . 100.00 148 97.30 99.32 1.73e-97 . . . . 6778 1 186 no PRF 0711223A . calmodulin . . . . . 100.00 148 97.97 100.00 1.50e-97 . . . . 6778 1 187 no REF NP_001008160 . "calmodulin 2 (phosphorylase kinase, delta) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 188 no REF NP_001009759 . "calmodulin [Ovis aries]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 189 no REF NP_001027633 . "calmodulin [Ciona intestinalis]" . . . . . 100.00 149 97.30 99.32 1.67e-97 . . . . 6778 1 190 no REF NP_001039714 . "calmodulin [Bos taurus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 191 no REF NP_001040234 . "calmodulin [Bombyx mori]" . . . . . 100.00 149 99.32 100.00 3.91e-99 . . . . 6778 1 192 no SP O02367 . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM [Ciona intestinalis]" . . . . . 100.00 149 97.30 99.32 1.67e-97 . . . . 6778 1 193 no SP O16305 . "RecName: Full=Calmodulin; Short=CaM [Caenorhabditis elegans]" . . . . . 100.00 149 98.65 100.00 1.71e-98 . . . . 6778 1 194 no SP O96081 . "RecName: Full=Calmodulin-B; Short=CaM B [Halocynthia roretzi]" . . . . . 100.00 149 97.97 99.32 7.62e-98 . . . . 6778 1 195 no SP P02595 . "RecName: Full=Calmodulin; Short=CaM [Patinopecten sp.]" . . . . . 100.00 149 97.97 100.00 1.62e-97 . . . . 6778 1 196 no SP P05932 . "RecName: Full=Calmodulin-beta; Short=Cam B, partial [Arbacia punctulata]" . . . . . 93.24 138 97.83 99.28 1.92e-90 . . . . 6778 1 197 no TPG DAA19590 . "TPA: calmodulin 3 [Bos taurus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 198 no TPG DAA24777 . "TPA: calmodulin 2-like [Bos taurus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 1 199 no TPG DAA24988 . "TPA: calmodulin 2-like isoform 1 [Bos taurus]" . . . . . 100.00 149 97.30 99.32 1.36e-97 . . . . 6778 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 . ALA . 6778 1 2 . ASP . 6778 1 3 . GLN . 6778 1 4 . LEU . 6778 1 5 . THR . 6778 1 6 . GLU . 6778 1 7 . GLU . 6778 1 8 . GLN . 6778 1 9 . ILE . 6778 1 10 . ALA . 6778 1 11 . GLU . 6778 1 12 . PHE . 6778 1 13 . LYS . 6778 1 14 . GLU . 6778 1 15 . ALA . 6778 1 16 . PHE . 6778 1 17 . SER . 6778 1 18 . LEU . 6778 1 19 . PHE . 6778 1 20 . ASP . 6778 1 21 . LYS . 6778 1 22 . ASP . 6778 1 23 . GLY . 6778 1 24 . ASP . 6778 1 25 . GLY . 6778 1 26 . THR . 6778 1 27 . ILE . 6778 1 28 . THR . 6778 1 29 . THR . 6778 1 30 . LYS . 6778 1 31 . GLU . 6778 1 32 . LEU . 6778 1 33 . GLY . 6778 1 34 . THR . 6778 1 35 . VAL . 6778 1 36 . MET . 6778 1 37 . ARG . 6778 1 38 . SER . 6778 1 39 . LEU . 6778 1 40 . GLY . 6778 1 41 . GLN . 6778 1 42 . ASN . 6778 1 43 . PRO . 6778 1 44 . THR . 6778 1 45 . GLU . 6778 1 46 . ALA . 6778 1 47 . GLU . 6778 1 48 . LEU . 6778 1 49 . GLN . 6778 1 50 . ASP . 6778 1 51 . MET . 6778 1 52 . ILE . 6778 1 53 . ASN . 6778 1 54 . GLU . 6778 1 55 . VAL . 6778 1 56 . ASP . 6778 1 57 . ALA . 6778 1 58 . ASP . 6778 1 59 . GLY . 6778 1 60 . ASN . 6778 1 61 . GLY . 6778 1 62 . THR . 6778 1 63 . ILE . 6778 1 64 . ASP . 6778 1 65 . PHE . 6778 1 66 . PRO . 6778 1 67 . GLU . 6778 1 68 . PHE . 6778 1 69 . LEU . 6778 1 70 . THR . 6778 1 71 . MET . 6778 1 72 . MET . 6778 1 73 . ALA . 6778 1 74 . ARG . 6778 1 75 . LYS . 6778 1 76 . MET . 6778 1 77 . LYS . 6778 1 78 . ASP . 6778 1 79 . THR . 6778 1 80 . ASP . 6778 1 81 . SER . 6778 1 82 . GLU . 6778 1 83 . GLU . 6778 1 84 . GLU . 6778 1 85 . ILE . 6778 1 86 . ARG . 6778 1 87 . GLU . 6778 1 88 . ALA . 6778 1 89 . PHE . 6778 1 90 . ARG . 6778 1 91 . VAL . 6778 1 92 . PHE . 6778 1 93 . ASP . 6778 1 94 . LYS . 6778 1 95 . ASP . 6778 1 96 . GLY . 6778 1 97 . ASN . 6778 1 98 . GLY . 6778 1 99 . PHE . 6778 1 100 . ILE . 6778 1 101 . SER . 6778 1 102 . ALA . 6778 1 103 . ALA . 6778 1 104 . GLU . 6778 1 105 . LEU . 6778 1 106 . ARG . 6778 1 107 . HIS . 6778 1 108 . VAL . 6778 1 109 . MET . 6778 1 110 . THR . 6778 1 111 . ASN . 6778 1 112 . LEU . 6778 1 113 . GLY . 6778 1 114 . GLU . 6778 1 115 . LYS . 6778 1 116 . LEU . 6778 1 117 . THR . 6778 1 118 . ASP . 6778 1 119 . GLU . 6778 1 120 . GLU . 6778 1 121 . VAL . 6778 1 122 . ASP . 6778 1 123 . GLU . 6778 1 124 . MET . 6778 1 125 . ILE . 6778 1 126 . ARG . 6778 1 127 . GLU . 6778 1 128 . ALA . 6778 1 129 . ASN . 6778 1 130 . ILE . 6778 1 131 . ASP . 6778 1 132 . GLY . 6778 1 133 . ASP . 6778 1 134 . GLY . 6778 1 135 . GLN . 6778 1 136 . VAL . 6778 1 137 . ASN . 6778 1 138 . TYR . 6778 1 139 . GLU . 6778 1 140 . GLU . 6778 1 141 . PHE . 6778 1 142 . VAL . 6778 1 143 . THR . 6778 1 144 . MET . 6778 1 145 . MET . 6778 1 146 . THR . 6778 1 147 . SER . 6778 1 148 . LYS . 6778 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 . ALA 1 1 6778 1 . ASP 2 2 6778 1 . GLN 3 3 6778 1 . LEU 4 4 6778 1 . THR 5 5 6778 1 . GLU 6 6 6778 1 . GLU 7 7 6778 1 . GLN 8 8 6778 1 . ILE 9 9 6778 1 . ALA 10 10 6778 1 . GLU 11 11 6778 1 . PHE 12 12 6778 1 . LYS 13 13 6778 1 . GLU 14 14 6778 1 . ALA 15 15 6778 1 . PHE 16 16 6778 1 . SER 17 17 6778 1 . LEU 18 18 6778 1 . PHE 19 19 6778 1 . ASP 20 20 6778 1 . LYS 21 21 6778 1 . ASP 22 22 6778 1 . GLY 23 23 6778 1 . ASP 24 24 6778 1 . GLY 25 25 6778 1 . THR 26 26 6778 1 . ILE 27 27 6778 1 . THR 28 28 6778 1 . THR 29 29 6778 1 . LYS 30 30 6778 1 . GLU 31 31 6778 1 . LEU 32 32 6778 1 . GLY 33 33 6778 1 . THR 34 34 6778 1 . VAL 35 35 6778 1 . MET 36 36 6778 1 . ARG 37 37 6778 1 . SER 38 38 6778 1 . LEU 39 39 6778 1 . GLY 40 40 6778 1 . GLN 41 41 6778 1 . ASN 42 42 6778 1 . PRO 43 43 6778 1 . THR 44 44 6778 1 . GLU 45 45 6778 1 . ALA 46 46 6778 1 . GLU 47 47 6778 1 . LEU 48 48 6778 1 . GLN 49 49 6778 1 . ASP 50 50 6778 1 . MET 51 51 6778 1 . ILE 52 52 6778 1 . ASN 53 53 6778 1 . GLU 54 54 6778 1 . VAL 55 55 6778 1 . ASP 56 56 6778 1 . ALA 57 57 6778 1 . ASP 58 58 6778 1 . GLY 59 59 6778 1 . ASN 60 60 6778 1 . GLY 61 61 6778 1 . THR 62 62 6778 1 . ILE 63 63 6778 1 . ASP 64 64 6778 1 . PHE 65 65 6778 1 . PRO 66 66 6778 1 . GLU 67 67 6778 1 . PHE 68 68 6778 1 . LEU 69 69 6778 1 . THR 70 70 6778 1 . MET 71 71 6778 1 . MET 72 72 6778 1 . ALA 73 73 6778 1 . ARG 74 74 6778 1 . LYS 75 75 6778 1 . MET 76 76 6778 1 . LYS 77 77 6778 1 . ASP 78 78 6778 1 . THR 79 79 6778 1 . ASP 80 80 6778 1 . SER 81 81 6778 1 . GLU 82 82 6778 1 . GLU 83 83 6778 1 . GLU 84 84 6778 1 . ILE 85 85 6778 1 . ARG 86 86 6778 1 . GLU 87 87 6778 1 . ALA 88 88 6778 1 . PHE 89 89 6778 1 . ARG 90 90 6778 1 . VAL 91 91 6778 1 . PHE 92 92 6778 1 . ASP 93 93 6778 1 . LYS 94 94 6778 1 . ASP 95 95 6778 1 . GLY 96 96 6778 1 . ASN 97 97 6778 1 . GLY 98 98 6778 1 . PHE 99 99 6778 1 . ILE 100 100 6778 1 . SER 101 101 6778 1 . ALA 102 102 6778 1 . ALA 103 103 6778 1 . GLU 104 104 6778 1 . LEU 105 105 6778 1 . ARG 106 106 6778 1 . HIS 107 107 6778 1 . VAL 108 108 6778 1 . MET 109 109 6778 1 . THR 110 110 6778 1 . ASN 111 111 6778 1 . LEU 112 112 6778 1 . GLY 113 113 6778 1 . GLU 114 114 6778 1 . LYS 115 115 6778 1 . LEU 116 116 6778 1 . THR 117 117 6778 1 . ASP 118 118 6778 1 . GLU 119 119 6778 1 . GLU 120 120 6778 1 . VAL 121 121 6778 1 . ASP 122 122 6778 1 . GLU 123 123 6778 1 . MET 124 124 6778 1 . ILE 125 125 6778 1 . ARG 126 126 6778 1 . GLU 127 127 6778 1 . ALA 128 128 6778 1 . ASN 129 129 6778 1 . ILE 130 130 6778 1 . ASP 131 131 6778 1 . GLY 132 132 6778 1 . ASP 133 133 6778 1 . GLY 134 134 6778 1 . GLN 135 135 6778 1 . VAL 136 136 6778 1 . ASN 137 137 6778 1 . TYR 138 138 6778 1 . GLU 139 139 6778 1 . GLU 140 140 6778 1 . PHE 141 141 6778 1 . VAL 142 142 6778 1 . THR 143 143 6778 1 . MET 144 144 6778 1 . MET 145 145 6778 1 . THR 146 146 6778 1 . SER 147 147 6778 1 . LYS 148 148 6778 1 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 6778 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaM . 7227 . no . 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 6778 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 6778 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaM . 'recombinant technology' . 'E. Coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 6778 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_melatonin _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode melatonin _Chem_comp.Entry_ID 6778 _Chem_comp.ID melatonin _Chem_comp.Provenance . _Chem_comp.Name N-acetyl-5-methoxytryptamine _Chem_comp.Type complex _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula . _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6778 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 calmodulin [15N] 1 $assembly 1 $CaM . . 1.08 . . mM . . . . 6778 1 2 KCl . . . . . . . 0.1 . . M . . . . 6778 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6778 _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 pH 6.8 0 pH 6778 1 temperature 308 0 K 6778 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6778 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'specta processing' 6778 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6778 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'specta analysis' 6778 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6778 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Unity Plus 600' _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6778 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Unity Plus 500' _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 6778 _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 600MHz_spectrometer 'Unity Plus 600' Varian . 600 . . . 6778 1 2 500MHz_spectrometer 'Unity Plus 600' Varian . 500 . . . 6778 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 6778 _Experiment_list.ID 1 _Experiment_list.Details 'experiment information not available' 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 unknown no 1 $NMR_spec_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6778 1 stop_ save_ save_NMR_spec_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt _NMR_spec_expt.Entry_ID 6778 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name unknown _NMR_spec_expt.Type unknown _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'experiment information not available' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6778 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6778 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6778 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_chemshifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemshifts _Assigned_chem_shift_list.Entry_ID 6778 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _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 . _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 unknown 1 $sample_1 isotropic 6778 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 17 17 SER N N 15 113.07 0.02 . . . . . . 17 SER N . 6778 1 2 . 1 1 20 20 ASP N N 15 117.38 0.02 . . . . . . 20 ASP N . 6778 1 3 . 1 1 27 27 ILE H H 1 9.87 0.01 . . . . . . 27 ILE H . 6778 1 4 . 1 1 27 27 ILE N N 15 127.28 0.02 . . . . . . 27 ILE N . 6778 1 5 . 1 1 36 36 MET H H 1 8.37 0.01 . . . . . . 36 MET H . 6778 1 6 . 1 1 53 53 ASN H H 1 8.64 0.01 . . . . . . 53 ASN H . 6778 1 7 . 1 1 55 55 VAL N N 15 110.56 0.02 . . . . . . 55 VAL N . 6778 1 8 . 1 1 57 57 ALA H H 1 8.31 0.01 . . . . . . 57 ALA H . 6778 1 9 . 1 1 69 69 LEU H H 1 8.60 0.01 . . . . . . 69 LEU H . 6778 1 10 . 1 1 69 69 LEU N N 15 119.38 0.02 . . . . . . 69 LEU N . 6778 1 11 . 1 1 71 71 MET H H 1 7.44 0.01 . . . . . . 71 MET H . 6778 1 12 . 1 1 72 72 MET N N 15 117.74 0.02 . . . . . . 72 MET N . 6778 1 13 . 1 1 74 74 ARG H H 1 7.14 0.01 . . . . . . 74 ARG H . 6778 1 14 . 1 1 74 74 ARG N N 15 115.48 0.02 . . . . . . 74 ARG N . 6778 1 15 . 1 1 88 88 ALA H H 1 7.43 0.01 . . . . . . 88 ALA H . 6778 1 16 . 1 1 88 88 ALA N N 15 120.28 0.02 . . . . . . 88 ALA N . 6778 1 17 . 1 1 90 90 ARG H H 1 7.78 0.01 . . . . . . 90 ARG H . 6778 1 18 . 1 1 92 92 PHE H H 1 7.50 0.01 . . . . . . 92 PHE H . 6778 1 19 . 1 1 121 121 VAL H H 1 7.98 0.01 . . . . . . 121 VAL H . 6778 1 20 . 1 1 124 124 MET N N 15 120.15 0.02 . . . . . . 124 MET N . 6778 1 21 . 1 1 125 125 ILE H H 1 8.21 0.01 . . . . . . 125 ILE H . 6778 1 22 . 1 1 127 127 GLU N N 15 116.92 0.02 . . . . . . 127 GLU N . 6778 1 23 . 1 1 129 129 ASN H H 1 8.01 0.01 . . . . . . 129 ASN H . 6778 1 24 . 1 1 140 140 GLU N N 15 120.59 0.01 . . . . . . 140 GLU N . 6778 1 25 . 1 1 142 142 VAL H H 1 8.71 0.01 . . . . . . 142 VAL H . 6778 1 26 . 1 1 143 143 THR N N 15 117.87 0.02 . . . . . . 143 THR N . 6778 1 27 . 1 1 145 145 MET N N 15 115.64 0.01 . . . . . . 145 MET N . 6778 1 28 . 1 1 146 146 THR N N 15 109.30 0.022 . . . . . . 146 THR N . 6778 1 stop_ save_