data_1323 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1323 _Entry.Title ; Investigation of the solution structures and mobility of oxidised and reduced cytochrome b5 by 2D NMR spectroscopy ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Nigel Veitch . C. . 1323 2 David Concar . W. . 1323 3 Robert Williams . J.P. . 1323 4 David Whitford . . . 1323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 62 1323 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 5 . . 2010-06-14 . revision BMRB 'Complete natural source information' 1323 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1323 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1323 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1323 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1323 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1323 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Veitch, Nigel C., Concar, David W., Williams, Robert J. P., Whitford, David, "Investigation of the solution structures and mobility of oxidised and reduced cytochrome b5 by 2D NMR spectroscopy," FEBS Lett. 238 (1), 49-55 (1988). ; _Citation.Title ; Investigation of the solution structures and mobility of oxidised and reduced cytochrome b5 by 2D NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 238 _Citation.Journal_issue 1 _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 49 _Citation.Page_last 55 _Citation.Year 1988 _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 Nigel Veitch . C. . 1323 1 2 David Concar . W. . 1323 1 3 Robert Williams . J.P. . 1323 1 4 David Whitford . . . 1323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cytochrome_b5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cytochrome_b5 _Assembly.Entry_ID 1323 _Assembly.ID 1 _Assembly.Name 'cytochrome b5' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 'cytochrome b5' 1 $cytochrome_b5 . . . . . . . . . 1323 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'cytochrome b5' system 1323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cytochrome_b5 _Entity.Sf_category entity _Entity.Sf_framecode cytochrome_b5 _Entity.Entry_ID 1323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'cytochrome b5' _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 ; AVKYYTLEEIQKHNNSKSTW LILHYKVYDLTKFLEEHPGG EEVLREQAGGDATENFEDVG HSTDARELSKTFIIGELHPD DR ; _Entity.Polymer_seq_one_letter_code ; AVKYYTLEEIQKHNNSKSTW LILHYKVYDLTKFLEEHPGG EEVLREQAGGDATENFEDVG HSTDARELSKTFIIGELHPD DR ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-26 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 1324 . "cytochrome b5" . . . . . 100.00 82 100.00 100.00 3.90e-52 . . . . 1323 1 2 no BMRB 17457 . b5 . . . . . 100.00 104 100.00 100.00 1.00e-52 . . . . 1323 1 3 no PDB 1CYO . "Bovine Cytochrome B(5)" . . . . . 100.00 93 100.00 100.00 1.50e-52 . . . . 1323 1 4 no PDB 1EHB . "Crystal Structure Of Recombinant Trypsin-Solubilized Fragment Of Cytochrome B5" . . . . . 100.00 82 100.00 100.00 3.90e-52 . . . . 1323 1 5 no PDB 1ES1 . "Crystal Structure Of Val61his Mutant Of Trypsin-Solubilized Fragment Of Cytochrome B5" . . . . . 100.00 82 98.78 98.78 7.54e-51 . . . . 1323 1 6 no PDB 1HKO . "Nmr Structure Of Bovine Cytochrome B5" . . . . . 100.00 104 100.00 100.00 1.06e-52 . . . . 1323 1 7 no PDB 1J0Q . "Solution Structure Of Oxidized Bovine Microsomal Cytochrome B5 Mutant V61h" . . . . . 98.78 82 98.77 98.77 4.86e-50 . . . . 1323 1 8 no PDB 1LQX . "Crystal Structure Of V45e Mutant Of Cytochrome B5" . . . . . 100.00 82 98.78 98.78 4.93e-51 . . . . 1323 1 9 no PDB 1LR6 . "Crystal Structure Of V45y Mutant Of Cytochrome B5" . . . . . 100.00 82 98.78 98.78 3.16e-51 . . . . 1323 1 10 no PDB 1M20 . "Crystal Structure Of F35y Mutant Of Trypsin-Solubilized Fragment Of Cytochrome B5" . . . . . 100.00 82 98.78 100.00 1.29e-51 . . . . 1323 1 11 no PDB 1M2I . "Crystal Structure Of E44aE56A MUTANT OF CYTOCHROME B5" . . . . . 100.00 82 97.56 97.56 8.23e-51 . . . . 1323 1 12 no PDB 1M59 . "Crystal Structure Of P40v Mutant Of Trypsin-Solubilized Fragment Of Cytochrome B5" . . . . . 100.00 82 98.78 98.78 7.54e-51 . . . . 1323 1 13 no PDB 1NX7 . "Solution Structure Of Oxidized Bovine Microsomal Cytochrome B5" . . . . . 100.00 82 100.00 100.00 3.90e-52 . . . . 1323 1 14 no PDB 1SH4 . "Solution Structure Of Oxidized Bovine Microsomal Cytochrome B5 Mutant V45h" . . . . . 100.00 82 98.78 98.78 7.54e-51 . . . . 1323 1 15 no PDB 1U9M . "Crystal Structure Of F58w Mutant Of Cytochrome B5" . . . . . 100.00 82 98.78 100.00 2.68e-51 . . . . 1323 1 16 no PDB 1U9U . "Crystal Structure Of F58y Mutant Of Cytochrome B5" . . . . . 100.00 82 98.78 100.00 1.29e-51 . . . . 1323 1 17 no PDB 3X32 . "Crystal Structure Of The Oxidized Form Of The Solubilized Domain Of Porcine Cytochrome B5 In Form 1 Crystal" . . . . . 100.00 94 98.78 100.00 7.40e-52 . . . . 1323 1 18 no PDB 3X33 . "Crystal Structure Of The Oxidized Form Of The Solubilized Domain Of Porcine Cytochrome B5 In Form 2 Crystal" . . . . . 100.00 94 98.78 100.00 7.40e-52 . . . . 1323 1 19 no PDB 3X34 . "Crystal Structure Of The Reduced Form Of The Solubilized Domain Of Porcine Cytochrome B5 In Form 1 Crystal" . . . . . 100.00 94 98.78 100.00 7.40e-52 . . . . 1323 1 20 no PDB 3X35 . "Crystal Structure Of The Reduced Form Of The Solubilized Domain Of Porcine Cytochrome B5 In Form 2 Crystal" . . . . . 100.00 94 98.78 100.00 7.40e-52 . . . . 1323 1 21 no PDB 4HIN . "2.4a Resolution Structure Of Bovine Cytochrome B5 (s71l)" . . . . . 100.00 82 98.78 98.78 4.24e-51 . . . . 1323 1 22 no EMBL CAA31949 . "unnamed protein product [Bos taurus]" . . . . . 100.00 134 100.00 100.00 2.73e-52 . . . . 1323 1 23 no GB AAA72186 . "microsomal cytochrome b-5 [synthetic construct]" . . . . . 100.00 94 97.56 98.78 5.03e-51 . . . . 1323 1 24 no GB AAB32285 . "peditoxin, pedin=cytochrome b-like heme protein [Toxopneustes pileolus=sea urchins, Lamarck, Peptide, 82 aa]" . . . . . 100.00 82 97.56 100.00 2.12e-50 . . . . 1323 1 25 no GB AAC14455 . "cytochrome b-5 [Bos taurus]" . . . . . 100.00 98 100.00 100.00 8.10e-53 . . . . 1323 1 26 no GB AAC48779 . "cytochrome b5 [Sus scrofa]" . . . . . 100.00 134 98.78 100.00 1.26e-51 . . . . 1323 1 27 no GB AAC48780 . "cytochrome b5 [Sus scrofa]" . . . . . 73.17 69 98.33 100.00 3.19e-34 . . . . 1323 1 28 no PRF 1106188A . "cytochrome b5" . . . . . 100.00 97 100.00 100.00 1.22e-52 . . . . 1323 1 29 no PRF 1106188C . "cytochrome b5" . . . . . 100.00 97 98.78 100.00 8.92e-52 . . . . 1323 1 30 no PRF 1803548B . "cytochrome b5" . . . . . 100.00 134 100.00 100.00 2.73e-52 . . . . 1323 1 31 no REF NP_001001770 . "cytochrome b5 [Sus scrofa]" . . . . . 100.00 134 98.78 100.00 1.26e-51 . . . . 1323 1 32 no REF NP_001159663 . "cytochrome b5 [Ovis aries]" . . . . . 98.78 134 98.77 100.00 9.76e-51 . . . . 1323 1 33 no REF NP_001180227 . "cytochrome b5 [Canis lupus familiaris]" . . . . . 98.78 134 97.53 100.00 8.68e-50 . . . . 1323 1 34 no REF NP_001274163 . "cytochrome b5 [Capra hircus]" . . . . . 98.78 134 98.77 100.00 9.76e-51 . . . . 1323 1 35 no REF NP_776458 . "cytochrome b5 [Bos taurus]" . . . . . 100.00 134 100.00 100.00 2.73e-52 . . . . 1323 1 36 no SP P00171 . "RecName: Full=Cytochrome b5" . . . . . 100.00 134 100.00 100.00 2.73e-52 . . . . 1323 1 37 no SP P00172 . "RecName: Full=Cytochrome b5" . . . . . 100.00 134 98.78 100.00 1.26e-51 . . . . 1323 1 38 no TPG DAA15965 . "TPA: cytochrome b5 [Bos taurus]" . . . . . 100.00 134 100.00 100.00 2.73e-52 . . . . 1323 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'cytochrome b5' common 1323 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 . 1323 1 2 . VAL . 1323 1 3 . LYS . 1323 1 4 . TYR . 1323 1 5 . TYR . 1323 1 6 . THR . 1323 1 7 . LEU . 1323 1 8 . GLU . 1323 1 9 . GLU . 1323 1 10 . ILE . 1323 1 11 . GLN . 1323 1 12 . LYS . 1323 1 13 . HIS . 1323 1 14 . ASN . 1323 1 15 . ASN . 1323 1 16 . SER . 1323 1 17 . LYS . 1323 1 18 . SER . 1323 1 19 . THR . 1323 1 20 . TRP . 1323 1 21 . LEU . 1323 1 22 . ILE . 1323 1 23 . LEU . 1323 1 24 . HIS . 1323 1 25 . TYR . 1323 1 26 . LYS . 1323 1 27 . VAL . 1323 1 28 . TYR . 1323 1 29 . ASP . 1323 1 30 . LEU . 1323 1 31 . THR . 1323 1 32 . LYS . 1323 1 33 . PHE . 1323 1 34 . LEU . 1323 1 35 . GLU . 1323 1 36 . GLU . 1323 1 37 . HIS . 1323 1 38 . PRO . 1323 1 39 . GLY . 1323 1 40 . GLY . 1323 1 41 . GLU . 1323 1 42 . GLU . 1323 1 43 . VAL . 1323 1 44 . LEU . 1323 1 45 . ARG . 1323 1 46 . GLU . 1323 1 47 . GLN . 1323 1 48 . ALA . 1323 1 49 . GLY . 1323 1 50 . GLY . 1323 1 51 . ASP . 1323 1 52 . ALA . 1323 1 53 . THR . 1323 1 54 . GLU . 1323 1 55 . ASN . 1323 1 56 . PHE . 1323 1 57 . GLU . 1323 1 58 . ASP . 1323 1 59 . VAL . 1323 1 60 . GLY . 1323 1 61 . HIS . 1323 1 62 . SER . 1323 1 63 . THR . 1323 1 64 . ASP . 1323 1 65 . ALA . 1323 1 66 . ARG . 1323 1 67 . GLU . 1323 1 68 . LEU . 1323 1 69 . SER . 1323 1 70 . LYS . 1323 1 71 . THR . 1323 1 72 . PHE . 1323 1 73 . ILE . 1323 1 74 . ILE . 1323 1 75 . GLY . 1323 1 76 . GLU . 1323 1 77 . LEU . 1323 1 78 . HIS . 1323 1 79 . PRO . 1323 1 80 . ASP . 1323 1 81 . ASP . 1323 1 82 . ARG . 1323 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 1323 1 . VAL 2 2 1323 1 . LYS 3 3 1323 1 . TYR 4 4 1323 1 . TYR 5 5 1323 1 . THR 6 6 1323 1 . LEU 7 7 1323 1 . GLU 8 8 1323 1 . GLU 9 9 1323 1 . ILE 10 10 1323 1 . GLN 11 11 1323 1 . LYS 12 12 1323 1 . HIS 13 13 1323 1 . ASN 14 14 1323 1 . ASN 15 15 1323 1 . SER 16 16 1323 1 . LYS 17 17 1323 1 . SER 18 18 1323 1 . THR 19 19 1323 1 . TRP 20 20 1323 1 . LEU 21 21 1323 1 . ILE 22 22 1323 1 . LEU 23 23 1323 1 . HIS 24 24 1323 1 . TYR 25 25 1323 1 . LYS 26 26 1323 1 . VAL 27 27 1323 1 . TYR 28 28 1323 1 . ASP 29 29 1323 1 . LEU 30 30 1323 1 . THR 31 31 1323 1 . LYS 32 32 1323 1 . PHE 33 33 1323 1 . LEU 34 34 1323 1 . GLU 35 35 1323 1 . GLU 36 36 1323 1 . HIS 37 37 1323 1 . PRO 38 38 1323 1 . GLY 39 39 1323 1 . GLY 40 40 1323 1 . GLU 41 41 1323 1 . GLU 42 42 1323 1 . VAL 43 43 1323 1 . LEU 44 44 1323 1 . ARG 45 45 1323 1 . GLU 46 46 1323 1 . GLN 47 47 1323 1 . ALA 48 48 1323 1 . GLY 49 49 1323 1 . GLY 50 50 1323 1 . ASP 51 51 1323 1 . ALA 52 52 1323 1 . THR 53 53 1323 1 . GLU 54 54 1323 1 . ASN 55 55 1323 1 . PHE 56 56 1323 1 . GLU 57 57 1323 1 . ASP 58 58 1323 1 . VAL 59 59 1323 1 . GLY 60 60 1323 1 . HIS 61 61 1323 1 . SER 62 62 1323 1 . THR 63 63 1323 1 . ASP 64 64 1323 1 . ALA 65 65 1323 1 . ARG 66 66 1323 1 . GLU 67 67 1323 1 . LEU 68 68 1323 1 . SER 69 69 1323 1 . LYS 70 70 1323 1 . THR 71 71 1323 1 . PHE 72 72 1323 1 . ILE 73 73 1323 1 . ILE 74 74 1323 1 . GLY 75 75 1323 1 . GLU 76 76 1323 1 . LEU 77 77 1323 1 . HIS 78 78 1323 1 . PRO 79 79 1323 1 . ASP 80 80 1323 1 . ASP 81 81 1323 1 . ARG 82 82 1323 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 1323 _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 $cytochrome_b5 . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . liver . . . . . . . microsomes . . . . . . . . 1323 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 1323 _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 $cytochrome_b5 . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1323 _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 1323 _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 7 . na 1323 1 temperature 303 . K 1323 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 1323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 1323 _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 unknown unknown . 0 'spectrometer information not available' . . 1323 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 1323 _Experiment_list.ID 1 _Experiment_list.Details . 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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 1323 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 1323 _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 . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1323 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 1323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 . _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 $sample_one . 1323 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 4 4 TYR H H 1 8.11 . . 1 . . . . . . . . 1323 1 2 . 1 1 4 4 TYR HA H 1 5.63 . . 1 . . . . . . . . 1323 1 3 . 1 1 5 5 TYR H H 1 8.64 . . 1 . . . . . . . . 1323 1 4 . 1 1 5 5 TYR HA H 1 5.09 . . 1 . . . . . . . . 1323 1 5 . 1 1 6 6 THR H H 1 9.15 . . 1 . . . . . . . . 1323 1 6 . 1 1 6 6 THR HA H 1 4.53 . . 1 . . . . . . . . 1323 1 7 . 1 1 19 19 THR H H 1 8.75 . . 1 . . . . . . . . 1323 1 8 . 1 1 19 19 THR HA H 1 5.4 . . 1 . . . . . . . . 1323 1 9 . 1 1 20 20 TRP H H 1 8.76 . . 1 . . . . . . . . 1323 1 10 . 1 1 20 20 TRP HA H 1 6.16 . . 1 . . . . . . . . 1323 1 11 . 1 1 21 21 LEU H H 1 8.38 . . 1 . . . . . . . . 1323 1 12 . 1 1 21 21 LEU HA H 1 4.43 . . 1 . . . . . . . . 1323 1 13 . 1 1 22 22 ILE H H 1 8.03 . . 1 . . . . . . . . 1323 1 14 . 1 1 22 22 ILE HA H 1 4.98 . . 1 . . . . . . . . 1323 1 15 . 1 1 23 23 LEU H H 1 8.36 . . 1 . . . . . . . . 1323 1 16 . 1 1 23 23 LEU HA H 1 4.36 . . 1 . . . . . . . . 1323 1 17 . 1 1 24 24 HIS H H 1 9.2 . . 1 . . . . . . . . 1323 1 18 . 1 1 24 24 HIS HA H 1 3.75 . . 1 . . . . . . . . 1323 1 19 . 1 1 25 25 TYR H H 1 8.22 . . 1 . . . . . . . . 1323 1 20 . 1 1 25 25 TYR HA H 1 3.7 . . 1 . . . . . . . . 1323 1 21 . 1 1 27 27 VAL H H 1 8.27 . . 1 . . . . . . . . 1323 1 22 . 1 1 27 27 VAL HA H 1 4.04 . . 1 . . . . . . . . 1323 1 23 . 1 1 28 28 TYR H H 1 8.81 . . 1 . . . . . . . . 1323 1 24 . 1 1 28 28 TYR HA H 1 4.38 . . 1 . . . . . . . . 1323 1 25 . 1 1 29 29 ASP H H 1 8.11 . . 1 . . . . . . . . 1323 1 26 . 1 1 29 29 ASP HA H 1 4.97 . . 1 . . . . . . . . 1323 1 27 . 1 1 30 30 LEU H H 1 8.34 . . 1 . . . . . . . . 1323 1 28 . 1 1 30 30 LEU HA H 1 4.25 . . 1 . . . . . . . . 1323 1 29 . 1 1 32 32 LYS H H 1 7.8 . . 1 . . . . . . . . 1323 1 30 . 1 1 32 32 LYS HA H 1 4.04 . . 1 . . . . . . . . 1323 1 31 . 1 1 33 33 PHE H H 1 8.11 . . 1 . . . . . . . . 1323 1 32 . 1 1 33 33 PHE HA H 1 5.14 . . 1 . . . . . . . . 1323 1 33 . 1 1 43 43 VAL H H 1 7.14 . . 1 . . . . . . . . 1323 1 34 . 1 1 43 43 VAL HA H 1 3.97 . . 1 . . . . . . . . 1323 1 35 . 1 1 48 48 ALA H H 1 8.21 . . 1 . . . . . . . . 1323 1 36 . 1 1 48 48 ALA HA H 1 3.68 . . 1 . . . . . . . . 1323 1 37 . 1 1 52 52 ALA H H 1 8.16 . . 1 . . . . . . . . 1323 1 38 . 1 1 52 52 ALA HA H 1 4.39 . . 1 . . . . . . . . 1323 1 39 . 1 1 54 54 GLU H H 1 8.43 . . 1 . . . . . . . . 1323 1 40 . 1 1 54 54 GLU HA H 1 3.92 . . 1 . . . . . . . . 1323 1 41 . 1 1 65 65 ALA H H 1 8.27 . . 1 . . . . . . . . 1323 1 42 . 1 1 65 65 ALA HA H 1 4.38 . . 1 . . . . . . . . 1323 1 43 . 1 1 69 69 SER H H 1 8.36 . . 1 . . . . . . . . 1323 1 44 . 1 1 69 69 SER HA H 1 3.86 . . 1 . . . . . . . . 1323 1 45 . 1 1 70 70 LYS H H 1 7.6 . . 1 . . . . . . . . 1323 1 46 . 1 1 70 70 LYS HA H 1 4.03 . . 1 . . . . . . . . 1323 1 47 . 1 1 72 72 PHE H H 1 7.24 . . 1 . . . . . . . . 1323 1 48 . 1 1 72 72 PHE HA H 1 4.79 . . 1 . . . . . . . . 1323 1 49 . 1 1 73 73 ILE H H 1 6.8 . . 1 . . . . . . . . 1323 1 50 . 1 1 73 73 ILE HA H 1 3.45 . . 1 . . . . . . . . 1323 1 51 . 1 1 74 74 ILE H H 1 8.59 . . 1 . . . . . . . . 1323 1 52 . 1 1 74 74 ILE HA H 1 4.52 . . 1 . . . . . . . . 1323 1 53 . 1 1 76 76 GLU H H 1 8.96 . . 1 . . . . . . . . 1323 1 54 . 1 1 76 76 GLU HA H 1 4.9 . . 1 . . . . . . . . 1323 1 55 . 1 1 77 77 LEU H H 1 8.84 . . 1 . . . . . . . . 1323 1 56 . 1 1 77 77 LEU HA H 1 4.59 . . 1 . . . . . . . . 1323 1 57 . 1 1 80 80 ASP H H 1 11.06 . . 1 . . . . . . . . 1323 1 58 . 1 1 80 80 ASP HA H 1 4.43 . . 1 . . . . . . . . 1323 1 59 . 1 1 81 81 ASP H H 1 8.16 . . 1 . . . . . . . . 1323 1 60 . 1 1 81 81 ASP HA H 1 4.19 . . 1 . . . . . . . . 1323 1 61 . 1 1 82 82 ARG H H 1 6.99 . . 1 . . . . . . . . 1323 1 62 . 1 1 82 82 ARG HA H 1 4.03 . . 1 . . . . . . . . 1323 1 stop_ save_