data_5835 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5835 _Entry.Title ; The Solution Structure and Dynamics of Recombinant Onconases ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-17 _Entry.Accession_date 2003-06-18 _Entry.Last_release_date 2003-06-18 _Entry.Original_release_date 2003-06-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Vitaliy Gorbatyuk . Y. . . 5835 2 Chen-Kuon Tsai . . . . 5835 3 Chi-Fon Chang . . . . 5835 4 Tai-huang Huang . . . . 5835 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 1 5835 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 84 5835 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 . . 2004-03-07 . original BMRB . 5835 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4371 'chemical shifts of recombinant onconases' 5835 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5835 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14645226 _Citation.Full_citation . _Citation.Title ; Effect of N-terminal and Met23 mutations on the structure and dynamics of onconase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 7 _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 5772 _Citation.Page_last 5780 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vitaliy Gorbatyuk . Y. . . 5835 1 2 Chen-Kuon Tsai . . . . 5835 1 3 Chi-Fon Chang . . . . 5835 1 4 Tai-huang Huang . . . . 5835 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_(M-1_Q1_M23L)rOnc _Assembly.Sf_category assembly _Assembly.Sf_framecode system_(M-1_Q1_M23L)rOnc _Assembly.Entry_ID 5835 _Assembly.ID 1 _Assembly.Name 'Recombinant onconase' _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 no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 11958 _Assembly.Enzyme_commission_number . _Assembly.Details 'This is recombinant Met-1, Gln1, and Leu23 Onconase.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5835 1 stop_ 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 (M-1,Q1,M23L)rOnc 1 $M-1_Q1_M23L_rOnc . . . native . . . . . 5835 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 69 69 SG . . . . . . . . . . . . 5835 1 2 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 76 76 SG . . . . . . . . . . . . 5835 1 3 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . . . 5835 1 4 disulfide single . 1 . 1 CYS 88 88 SG . 1 . 1 CYS 105 105 SG . . . . . . . . . . . . 5835 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1ONC . . . . . . 5835 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Recombinant onconase' system 5835 1 'onconase, ranpirnase, p30 protein' abbreviation 5835 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'anti-tumor agent' 5835 1 'cytotoxic protein' 5835 1 ribonuclease 5835 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M-1_Q1_M23L_rOnc _Entity.Sf_category entity _Entity.Sf_framecode M-1_Q1_M23L_rOnc _Entity.Entry_ID 5835 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name (M-1,Q1,M23L)rONC _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 ; MQDWLTFQKKHITNTRDVDC DNILSTNLFHCKDKNTFIYS RPEPVKAICKGIIASKNVLT TSEFYLSDCNVTSRPCKYKL KKSTNKFCVTCENQAPVHFV GVGSC ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11958 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . BMRB 4371 . 'Recombinant Onconase/ranpirnase' . . . . . 100.00 105 100.00 100.00 1.68e-55 . . . . 5835 1 . . PDB 1ONC . 'The Refined 1.7 Angstroms X-Ray Crystallographic Structure Of P-30, An Amphibian Ribonuclease With Anti-Tumor Activity' . . . . . 98.10 104 99.03 100.00 8.68e-54 . . . . 5835 1 . . PDB 1PU3 . 'The Solution Nmr Structure And Dynamics Of A Recombinant Onconase With Altered N-Terminal And Met23 Residues' . . . . . 100.00 105 100.00 100.00 1.68e-55 . . . . 5835 1 . . PDB 1YV4 . 'X-Ray Structure Of M23l Onconase At 100k' . . . . . 98.10 104 100.00 100.00 5.77e-54 . . . . 5835 1 . . PDB 1YV6 . 'X-Ray Structure Of M23l Onconase At 298k' . . . . . 98.10 104 100.00 100.00 5.77e-54 . . . . 5835 1 . . PDB 1YV7 . 'X-Ray Structure Of (C87s,Des103-104) Onconase' . . . . . 96.19 102 98.02 99.01 6.43e-52 . . . . 5835 1 . . PDB 2I5S . 'Crystal Structure Of Onconase With Bound Nucleic Acid' . . . . . 98.10 104 99.03 100.00 8.68e-54 . . . . 5835 1 . . GenBank AAL54383 . 'onconase precursor [Rana pipiens]' . . . . . 99.05 127 99.04 100.00 8.90e-55 . . . . 5835 1 . . SWISS-PROT P22069 . 'P-30 protein (Onconase)' . . . . . 99.05 104 99.04 100.00 1.69e-54 . . . . 5835 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID (M-1,Q1,M23L)rONC common 5835 1 'onconase, ranpirnase' abbreviation 5835 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 . MET . 5835 1 2 . GLN . 5835 1 3 . ASP . 5835 1 4 . TRP . 5835 1 5 . LEU . 5835 1 6 . THR . 5835 1 7 . PHE . 5835 1 8 . GLN . 5835 1 9 . LYS . 5835 1 10 . LYS . 5835 1 11 . HIS . 5835 1 12 . ILE . 5835 1 13 . THR . 5835 1 14 . ASN . 5835 1 15 . THR . 5835 1 16 . ARG . 5835 1 17 . ASP . 5835 1 18 . VAL . 5835 1 19 . ASP . 5835 1 20 . CYS . 5835 1 21 . ASP . 5835 1 22 . ASN . 5835 1 23 . ILE . 5835 1 24 . LEU . 5835 1 25 . SER . 5835 1 26 . THR . 5835 1 27 . ASN . 5835 1 28 . LEU . 5835 1 29 . PHE . 5835 1 30 . HIS . 5835 1 31 . CYS . 5835 1 32 . LYS . 5835 1 33 . ASP . 5835 1 34 . LYS . 5835 1 35 . ASN . 5835 1 36 . THR . 5835 1 37 . PHE . 5835 1 38 . ILE . 5835 1 39 . TYR . 5835 1 40 . SER . 5835 1 41 . ARG . 5835 1 42 . PRO . 5835 1 43 . GLU . 5835 1 44 . PRO . 5835 1 45 . VAL . 5835 1 46 . LYS . 5835 1 47 . ALA . 5835 1 48 . ILE . 5835 1 49 . CYS . 5835 1 50 . LYS . 5835 1 51 . GLY . 5835 1 52 . ILE . 5835 1 53 . ILE . 5835 1 54 . ALA . 5835 1 55 . SER . 5835 1 56 . LYS . 5835 1 57 . ASN . 5835 1 58 . VAL . 5835 1 59 . LEU . 5835 1 60 . THR . 5835 1 61 . THR . 5835 1 62 . SER . 5835 1 63 . GLU . 5835 1 64 . PHE . 5835 1 65 . TYR . 5835 1 66 . LEU . 5835 1 67 . SER . 5835 1 68 . ASP . 5835 1 69 . CYS . 5835 1 70 . ASN . 5835 1 71 . VAL . 5835 1 72 . THR . 5835 1 73 . SER . 5835 1 74 . ARG . 5835 1 75 . PRO . 5835 1 76 . CYS . 5835 1 77 . LYS . 5835 1 78 . TYR . 5835 1 79 . LYS . 5835 1 80 . LEU . 5835 1 81 . LYS . 5835 1 82 . LYS . 5835 1 83 . SER . 5835 1 84 . THR . 5835 1 85 . ASN . 5835 1 86 . LYS . 5835 1 87 . PHE . 5835 1 88 . CYS . 5835 1 89 . VAL . 5835 1 90 . THR . 5835 1 91 . CYS . 5835 1 92 . GLU . 5835 1 93 . ASN . 5835 1 94 . GLN . 5835 1 95 . ALA . 5835 1 96 . PRO . 5835 1 97 . VAL . 5835 1 98 . HIS . 5835 1 99 . PHE . 5835 1 100 . VAL . 5835 1 101 . GLY . 5835 1 102 . VAL . 5835 1 103 . GLY . 5835 1 104 . SER . 5835 1 105 . CYS . 5835 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 . MET 1 1 5835 1 . GLN 2 2 5835 1 . ASP 3 3 5835 1 . TRP 4 4 5835 1 . LEU 5 5 5835 1 . THR 6 6 5835 1 . PHE 7 7 5835 1 . GLN 8 8 5835 1 . LYS 9 9 5835 1 . LYS 10 10 5835 1 . HIS 11 11 5835 1 . ILE 12 12 5835 1 . THR 13 13 5835 1 . ASN 14 14 5835 1 . THR 15 15 5835 1 . ARG 16 16 5835 1 . ASP 17 17 5835 1 . VAL 18 18 5835 1 . ASP 19 19 5835 1 . CYS 20 20 5835 1 . ASP 21 21 5835 1 . ASN 22 22 5835 1 . ILE 23 23 5835 1 . LEU 24 24 5835 1 . SER 25 25 5835 1 . THR 26 26 5835 1 . ASN 27 27 5835 1 . LEU 28 28 5835 1 . PHE 29 29 5835 1 . HIS 30 30 5835 1 . CYS 31 31 5835 1 . LYS 32 32 5835 1 . ASP 33 33 5835 1 . LYS 34 34 5835 1 . ASN 35 35 5835 1 . THR 36 36 5835 1 . PHE 37 37 5835 1 . ILE 38 38 5835 1 . TYR 39 39 5835 1 . SER 40 40 5835 1 . ARG 41 41 5835 1 . PRO 42 42 5835 1 . GLU 43 43 5835 1 . PRO 44 44 5835 1 . VAL 45 45 5835 1 . LYS 46 46 5835 1 . ALA 47 47 5835 1 . ILE 48 48 5835 1 . CYS 49 49 5835 1 . LYS 50 50 5835 1 . GLY 51 51 5835 1 . ILE 52 52 5835 1 . ILE 53 53 5835 1 . ALA 54 54 5835 1 . SER 55 55 5835 1 . LYS 56 56 5835 1 . ASN 57 57 5835 1 . VAL 58 58 5835 1 . LEU 59 59 5835 1 . THR 60 60 5835 1 . THR 61 61 5835 1 . SER 62 62 5835 1 . GLU 63 63 5835 1 . PHE 64 64 5835 1 . TYR 65 65 5835 1 . LEU 66 66 5835 1 . SER 67 67 5835 1 . ASP 68 68 5835 1 . CYS 69 69 5835 1 . ASN 70 70 5835 1 . VAL 71 71 5835 1 . THR 72 72 5835 1 . SER 73 73 5835 1 . ARG 74 74 5835 1 . PRO 75 75 5835 1 . CYS 76 76 5835 1 . LYS 77 77 5835 1 . TYR 78 78 5835 1 . LYS 79 79 5835 1 . LEU 80 80 5835 1 . LYS 81 81 5835 1 . LYS 82 82 5835 1 . SER 83 83 5835 1 . THR 84 84 5835 1 . ASN 85 85 5835 1 . LYS 86 86 5835 1 . PHE 87 87 5835 1 . CYS 88 88 5835 1 . VAL 89 89 5835 1 . THR 90 90 5835 1 . CYS 91 91 5835 1 . GLU 92 92 5835 1 . ASN 93 93 5835 1 . GLN 94 94 5835 1 . ALA 95 95 5835 1 . PRO 96 96 5835 1 . VAL 97 97 5835 1 . HIS 98 98 5835 1 . PHE 99 99 5835 1 . VAL 100 100 5835 1 . GLY 101 101 5835 1 . VAL 102 102 5835 1 . GLY 103 103 5835 1 . SER 104 104 5835 1 . CYS 105 105 5835 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 5835 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $M-1_Q1_M23L_rOnc . 8404 organism . 'Rana pipiens' 'Northern leopard frog' . . Eukaryota Metazoa Rana pipiens . . . . . . . . . . . . . 5835 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 5835 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $M-1_Q1_M23L_rOnc . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . plasmid . . pET-11d . . . 5835 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5835 _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 (M-1,Q1,M23L)rONC '[U-15N; U-13C]' . . 1 $M-1_Q1_M23L_rOnc . . 1.5 . . mM . . . . 5835 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_set_1 _Sample_condition_list.Entry_ID 5835 _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* 4.1 0.1 n/a 5835 1 temperature 310 0.5 K 5835 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5835 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5835 _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 NMR_spectrometer Bruker DRX . 600 . . . 5835 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 5835 _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 '3D HNHA' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions_set_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5835 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5835 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_set_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '3D HNHA' 1 $sample_1 . 5835 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 ASP H H 1 . . 1 1 3 3 ASP HA H 1 . 7.21 . . 0.5 . . . . . . . . . . . . . 5835 1 2 3JHNHA . 1 1 4 4 TRP H H 1 . . 1 1 4 4 TRP HA H 1 . 2.3 . . 0.5 . . . . . . . . . . . . . 5835 1 3 3JHNHA . 1 1 5 5 LEU H H 1 . . 1 1 5 5 LEU HA H 1 . 3.84 . . 0.5 . . . . . . . . . . . . . 5835 1 4 3JHNHA . 1 1 6 6 THR H H 1 . . 1 1 6 6 THR HA H 1 . 4.42 . . 0.5 . . . . . . . . . . . . . 5835 1 5 3JHNHA . 1 1 7 7 PHE H H 1 . . 1 1 7 7 PHE HA H 1 . 2.87 . . 0.5 . . . . . . . . . . . . . 5835 1 6 3JHNHA . 1 1 8 8 GLN H H 1 . . 1 1 8 8 GLN HA H 1 . 3.79 . . 0.5 . . . . . . . . . . . . . 5835 1 7 3JHNHA . 1 1 9 9 LYS H H 1 . . 1 1 9 9 LYS HA H 1 . 4.56 . . 0.5 . . . . . . . . . . . . . 5835 1 8 3JHNHA . 1 1 11 11 HIS H H 1 . . 1 1 11 11 HIS HA H 1 . 11.41 . . 0.5 . . . . . . . . . . . . . 5835 1 9 3JHNHA . 1 1 12 12 ILE H H 1 . . 1 1 12 12 ILE HA H 1 . 8.9 . . 0.5 . . . . . . . . . . . . . 5835 1 10 3JHNHA . 1 1 13 13 THR H H 1 . . 1 1 13 13 THR HA H 1 . 9.08 . . 0.5 . . . . . . . . . . . . . 5835 1 11 3JHNHA . 1 1 14 14 ASN H H 1 . . 1 1 14 14 ASN HA H 1 . 9.05 . . 0.5 . . . . . . . . . . . . . 5835 1 12 3JHNHA . 1 1 15 15 THR H H 1 . . 1 1 15 15 THR HA H 1 . 9.94 . . 0.5 . . . . . . . . . . . . . 5835 1 13 3JHNHA . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG HA H 1 . 5.18 . . 0.5 . . . . . . . . . . . . . 5835 1 14 3JHNHA . 1 1 17 17 ASP H H 1 . . 1 1 17 17 ASP HA H 1 . 8.67 . . 0.5 . . . . . . . . . . . . . 5835 1 15 3JHNHA . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL HA H 1 . 4.92 . . 0.5 . . . . . . . . . . . . . 5835 1 16 3JHNHA . 1 1 19 19 ASP H H 1 . . 1 1 19 19 ASP HA H 1 . 7.23 . . 0.5 . . . . . . . . . . . . . 5835 1 17 3JHNHA . 1 1 20 20 CYS H H 1 . . 1 1 20 20 CYS HA H 1 . 1.5 . . 0.5 . . . . . . . . . . . . . 5835 1 18 3JHNHA . 1 1 21 21 ASP H H 1 . . 1 1 21 21 ASP HA H 1 . 2.04 . . 0.5 . . . . . . . . . . . . . 5835 1 19 3JHNHA . 1 1 22 22 ASN H H 1 . . 1 1 22 22 ASN HA H 1 . 9.01 . . 0.5 . . . . . . . . . . . . . 5835 1 20 3JHNHA . 1 1 23 23 ILE H H 1 . . 1 1 23 23 ILE HA H 1 . 6.94 . . 0.5 . . . . . . . . . . . . . 5835 1 21 3JHNHA . 1 1 25 25 SER H H 1 . . 1 1 25 25 SER HA H 1 . 8.39 . . 0.5 . . . . . . . . . . . . . 5835 1 22 3JHNHA . 1 1 26 26 THR H H 1 . . 1 1 26 26 THR HA H 1 . 8.02 . . 0.5 . . . . . . . . . . . . . 5835 1 23 3JHNHA . 1 1 29 29 PHE H H 1 . . 1 1 29 29 PHE HA H 1 . 10.45 . . 0.5 . . . . . . . . . . . . . 5835 1 24 3JHNHA . 1 1 30 30 HIS H H 1 . . 1 1 30 30 HIS HA H 1 . 6.22 . . 0.5 . . . . . . . . . . . . . 5835 1 25 3JHNHA . 1 1 31 31 CYS H H 1 . . 1 1 31 31 CYS HA H 1 . 5.68 . . 0.5 . . . . . . . . . . . . . 5835 1 26 3JHNHA . 1 1 32 32 LYS H H 1 . . 1 1 32 32 LYS HA H 1 . 2.49 . . 0.5 . . . . . . . . . . . . . 5835 1 27 3JHNHA . 1 1 33 33 ASP H H 1 . . 1 1 33 33 ASP HA H 1 . 2.17 . . 0.5 . . . . . . . . . . . . . 5835 1 28 3JHNHA . 1 1 34 34 LYS H H 1 . . 1 1 34 34 LYS HA H 1 . 8.81 . . 0.5 . . . . . . . . . . . . . 5835 1 29 3JHNHA . 1 1 35 35 ASN H H 1 . . 1 1 35 35 ASN HA H 1 . 6.78 . . 0.5 . . . . . . . . . . . . . 5835 1 30 3JHNHA . 1 1 36 36 THR H H 1 . . 1 1 36 36 THR HA H 1 . 8.58 . . 0.5 . . . . . . . . . . . . . 5835 1 31 3JHNHA . 1 1 37 37 PHE H H 1 . . 1 1 37 37 PHE HA H 1 . 8.77 . . 0.5 . . . . . . . . . . . . . 5835 1 32 3JHNHA . 1 1 38 38 ILE H H 1 . . 1 1 38 38 ILE HA H 1 . 8.62 . . 0.5 . . . . . . . . . . . . . 5835 1 33 3JHNHA . 1 1 39 39 TYR H H 1 . . 1 1 39 39 TYR HA H 1 . 6.84 . . 0.5 . . . . . . . . . . . . . 5835 1 34 3JHNHA . 1 1 40 40 SER H H 1 . . 1 1 40 40 SER HA H 1 . 6.83 . . 0.5 . . . . . . . . . . . . . 5835 1 35 3JHNHA . 1 1 41 41 ARG H H 1 . . 1 1 41 41 ARG HA H 1 . 5.94 . . 0.5 . . . . . . . . . . . . . 5835 1 36 3JHNHA . 1 1 43 43 GLU H H 1 . . 1 1 43 43 GLU HA H 1 . 2.83 . . 0.5 . . . . . . . . . . . . . 5835 1 37 3JHNHA . 1 1 45 45 VAL H H 1 . . 1 1 45 45 VAL HA H 1 . 9.6 . . 0.5 . . . . . . . . . . . . . 5835 1 38 3JHNHA . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA HA H 1 . 3.05 . . 0.5 . . . . . . . . . . . . . 5835 1 39 3JHNHA . 1 1 48 48 ILE H H 1 . . 1 1 48 48 ILE HA H 1 . 4.02 . . 0.5 . . . . . . . . . . . . . 5835 1 40 3JHNHA . 1 1 49 49 CYS H H 1 . . 1 1 49 49 CYS HA H 1 . 10.05 . . 0.5 . . . . . . . . . . . . . 5835 1 41 3JHNHA . 1 1 50 50 LYS H H 1 . . 1 1 50 50 LYS HA H 1 . 2.17 . . 0.5 . . . . . . . . . . . . . 5835 1 42 3JHNHA . 1 1 52 52 ILE H H 1 . . 1 1 52 52 ILE HA H 1 . 9.4 . . 0.5 . . . . . . . . . . . . . 5835 1 43 3JHNHA . 1 1 53 53 ILE H H 1 . . 1 1 53 53 ILE HA H 1 . 9.19 . . 0.5 . . . . . . . . . . . . . 5835 1 44 3JHNHA . 1 1 55 55 SER H H 1 . . 1 1 55 55 SER HA H 1 . 1.71 . . 0.5 . . . . . . . . . . . . . 5835 1 45 3JHNHA . 1 1 56 56 LYS H H 1 . . 1 1 56 56 LYS HA H 1 . 7.48 . . 0.5 . . . . . . . . . . . . . 5835 1 46 3JHNHA . 1 1 57 57 ASN H H 1 . . 1 1 57 57 ASN HA H 1 . 7.0 . . 0.5 . . . . . . . . . . . . . 5835 1 47 3JHNHA . 1 1 58 58 VAL H H 1 . . 1 1 58 58 VAL HA H 1 . 9.06 . . 0.5 . . . . . . . . . . . . . 5835 1 48 3JHNHA . 1 1 59 59 LEU H H 1 . . 1 1 59 59 LEU HA H 1 . 8.92 . . 0.5 . . . . . . . . . . . . . 5835 1 49 3JHNHA . 1 1 61 61 THR H H 1 . . 1 1 61 61 THR HA H 1 . 6.73 . . 0.5 . . . . . . . . . . . . . 5835 1 50 3JHNHA . 1 1 62 62 SER H H 1 . . 1 1 62 62 SER HA H 1 . 9.92 . . 0.5 . . . . . . . . . . . . . 5835 1 51 3JHNHA . 1 1 63 63 GLU H H 1 . . 1 1 63 63 GLU HA H 1 . 8.28 . . 0.5 . . . . . . . . . . . . . 5835 1 52 3JHNHA . 1 1 64 64 PHE H H 1 . . 1 1 64 64 PHE HA H 1 . 9.04 . . 0.5 . . . . . . . . . . . . . 5835 1 53 3JHNHA . 1 1 65 65 TYR H H 1 . . 1 1 65 65 TYR HA H 1 . 6.14 . . 0.5 . . . . . . . . . . . . . 5835 1 54 3JHNHA . 1 1 66 66 LEU H H 1 . . 1 1 66 66 LEU HA H 1 . 8.34 . . 0.5 . . . . . . . . . . . . . 5835 1 55 3JHNHA . 1 1 67 67 SER H H 1 . . 1 1 67 67 SER HA H 1 . 6.81 . . 0.5 . . . . . . . . . . . . . 5835 1 56 3JHNHA . 1 1 68 68 ASP H H 1 . . 1 1 68 68 ASP HA H 1 . 7.96 . . 0.5 . . . . . . . . . . . . . 5835 1 57 3JHNHA . 1 1 69 69 CYS H H 1 . . 1 1 69 69 CYS HA H 1 . 9.14 . . 0.5 . . . . . . . . . . . . . 5835 1 58 3JHNHA . 1 1 70 70 ASN H H 1 . . 1 1 70 70 ASN HA H 1 . 9.75 . . 0.5 . . . . . . . . . . . . . 5835 1 59 3JHNHA . 1 1 71 71 VAL H H 1 . . 1 1 71 71 VAL HA H 1 . 2.77 . . 0.5 . . . . . . . . . . . . . 5835 1 60 3JHNHA . 1 1 72 72 THR H H 1 . . 1 1 72 72 THR HA H 1 . 9.81 . . 0.5 . . . . . . . . . . . . . 5835 1 61 3JHNHA . 1 1 73 73 SER H H 1 . . 1 1 73 73 SER HA H 1 . 4.64 . . 0.5 . . . . . . . . . . . . . 5835 1 62 3JHNHA . 1 1 76 76 CYS H H 1 . . 1 1 76 76 CYS HA H 1 . 6.47 . . 0.5 . . . . . . . . . . . . . 5835 1 63 3JHNHA . 1 1 77 77 LYS H H 1 . . 1 1 77 77 LYS HA H 1 . 11.03 . . 0.5 . . . . . . . . . . . . . 5835 1 64 3JHNHA . 1 1 78 78 TYR H H 1 . . 1 1 78 78 TYR HA H 1 . 8.38 . . 0.5 . . . . . . . . . . . . . 5835 1 65 3JHNHA . 1 1 79 79 LYS H H 1 . . 1 1 79 79 LYS HA H 1 . 9.74 . . 0.5 . . . . . . . . . . . . . 5835 1 66 3JHNHA . 1 1 80 80 LEU H H 1 . . 1 1 80 80 LEU HA H 1 . 7.71 . . 0.5 . . . . . . . . . . . . . 5835 1 67 3JHNHA . 1 1 81 81 LYS H H 1 . . 1 1 81 81 LYS HA H 1 . 7.38 . . 0.5 . . . . . . . . . . . . . 5835 1 68 3JHNHA . 1 1 82 82 LYS H H 1 . . 1 1 82 82 LYS HA H 1 . 8.02 . . 0.5 . . . . . . . . . . . . . 5835 1 69 3JHNHA . 1 1 83 83 SER H H 1 . . 1 1 83 83 SER HA H 1 . 6.6 . . 0.5 . . . . . . . . . . . . . 5835 1 70 3JHNHA . 1 1 84 84 THR H H 1 . . 1 1 84 84 THR HA H 1 . 9.99 . . 0.5 . . . . . . . . . . . . . 5835 1 71 3JHNHA . 1 1 85 85 ASN H H 1 . . 1 1 85 85 ASN HA H 1 . 5.03 . . 0.5 . . . . . . . . . . . . . 5835 1 72 3JHNHA . 1 1 86 86 LYS H H 1 . . 1 1 86 86 LYS HA H 1 . 7.71 . . 0.5 . . . . . . . . . . . . . 5835 1 73 3JHNHA . 1 1 88 88 CYS H H 1 . . 1 1 88 88 CYS HA H 1 . 8.97 . . 0.5 . . . . . . . . . . . . . 5835 1 74 3JHNHA . 1 1 89 89 VAL H H 1 . . 1 1 89 89 VAL HA H 1 . 9.37 . . 0.5 . . . . . . . . . . . . . 5835 1 75 3JHNHA . 1 1 91 91 CYS H H 1 . . 1 1 91 91 CYS HA H 1 . 8.42 . . 0.5 . . . . . . . . . . . . . 5835 1 76 3JHNHA . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU HA H 1 . 7.22 . . 0.5 . . . . . . . . . . . . . 5835 1 77 3JHNHA . 1 1 93 93 ASN H H 1 . . 1 1 93 93 ASN HA H 1 . 5.17 . . 0.5 . . . . . . . . . . . . . 5835 1 78 3JHNHA . 1 1 94 94 GLN H H 1 . . 1 1 94 94 GLN HA H 1 . 6.66 . . 0.5 . . . . . . . . . . . . . 5835 1 79 3JHNHA . 1 1 95 95 ALA H H 1 . . 1 1 95 95 ALA HA H 1 . 8.82 . . 0.5 . . . . . . . . . . . . . 5835 1 80 3JHNHA . 1 1 97 97 VAL H H 1 . . 1 1 97 97 VAL HA H 1 . 10.72 . . 0.5 . . . . . . . . . . . . . 5835 1 81 3JHNHA . 1 1 100 100 VAL H H 1 . . 1 1 100 100 VAL HA H 1 . 9.49 . . 0.5 . . . . . . . . . . . . . 5835 1 82 3JHNHA . 1 1 102 102 VAL H H 1 . . 1 1 102 102 VAL HA H 1 . 8.59 . . 0.5 . . . . . . . . . . . . . 5835 1 83 3JHNHA . 1 1 104 104 SER H H 1 . . 1 1 104 104 SER HA H 1 . 7.87 . . 0.5 . . . . . . . . . . . . . 5835 1 84 3JHNHA . 1 1 105 105 CYS H H 1 . . 1 1 105 105 CYS HA H 1 . 9.19 . . 0.5 . . . . . . . . . . . . . 5835 1 stop_ save_