data_51119 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51119 _Entry.Title ; Backbone relaxation rates of the fusion of ZNG peptide with the zinc finger domain of murine methionine amino peptidase 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-30 _Entry.Accession_date 2021-09-30 _Entry.Last_release_date 2021-10-01 _Entry.Original_release_date 2021-10-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 'Backbone relaxation rates of the fusion of ZNG peptide with the zinc finger domain of murine methionine amino peptidase 1' _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 Katherine Edmonds . A. . 0000-0002-1282-9858 51119 2 Matthew Jordan . R. . 0000-0003-0095-8078 51119 3 Kishore Thalluri . . . 0000-0001-5862-4631 51119 4 Wu Hongwei . . . 0000-0002-8687-3843 51119 5 Richard 'Di Marchi' . . . . 51119 6 David Giedroc . P. . 0000-0002-2342-1620 51119 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 1 51119 heteronucl_T1_relaxation 1 51119 heteronucl_T2_relaxation 1 51119 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 75 51119 'T2 relaxation values' 75 51119 'heteronuclear NOE values' 75 51119 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-27 2021-09-30 update BMRB 'update entry citation' 51119 1 . . 2022-06-01 2021-09-30 original author 'original release' 51119 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51117 'Backbone resonance assignments and relaxation rates of the zinc finger domain of murine methionine amino peptidase 1' 51119 BMRB 51118 'Backbone resonance assignments of the zinc finger domain of murine methionine amino peptidase 1 in complex with ZNG peptide' 51119 PDB 7SEK 'Structure of zinc finger domain of mouse methionine aminopeptidase 1 in complex with ZNG peptide' 51119 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51119 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35584702 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Zn-regulated GTPase metalloprotein activator 1 modulates vertebrate zinc homeostasis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 185 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-4172 _Citation.Journal_CSD 0353 _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 2148 _Citation.Page_last 2163 _Citation.Year 2022 _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 Andy Weiss A. . . . 51119 1 2 Caitlin Murdoch C. C. . . 51119 1 3 Katherine Edmonds K. A. . . 51119 1 4 Matthew Jordan M. R. . . 51119 1 5 Andrew Monteith A. J. . . 51119 1 6 Yasiru Perera Y. R. . . 51119 1 7 Aslin 'Rodriguez Nassif' A. M. . . 51119 1 8 Amber Petoletti A. M. . . 51119 1 9 William Beavers W. N. . . 51119 1 10 Matthew Munneke M. J. . . 51119 1 11 Sydney Drury S. L. . . 51119 1 12 Evan Krystofiak E. S. . . 51119 1 13 Kishore Thalluri K. . . . 51119 1 14 Hongwei Wu H. . . . 51119 1 15 Angela Kruse . . . . 51119 1 16 Richard DiMarchi R. D. . . 51119 1 17 Richard Caprioli R. M. . . 51119 1 18 Jeffrey Spraggins J. M. . . 51119 1 19 Walter Chazin W. J. . . 51119 1 20 David Giedroc D. P. . . 51119 1 21 Eric Skaar E. P. . . 51119 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Zinc, metalloprotein, zinc finger, GTPase, COG0523, ZNG1, CBWD, METAP1, zf-C6H2, metallochaperone, metal-insertase' 51119 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51119 _Assembly.ID 1 _Assembly.Name 'Metap1 zinc finger' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 zf 1 $entity_1 . . yes native no no . . . 51119 1 2 zn1 2 $entity_ZN . . no native no no . . . 51119 1 3 zn1 2 $entity_ZN . . no native no no . . . 51119 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 coordination single . 1 . 1 CYS 30 30 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 2 coordination single . 1 . 1 CYS 35 35 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 3 coordination single . 1 . 1 CYS 57 57 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 4 coordination single . 1 . 1 CYS 61 61 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 5 coordination single . 1 . 1 CYS 43 43 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 6 coordination single . 1 . 1 CYS 46 46 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 7 coordination single . 1 . 1 HIS 69 69 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 8 coordination single . 1 . 1 HIS 73 73 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 51119 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51119 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; AEEEYAEDCPELVPIETKNQ EMAAVETRVCETDGCSSEAK LQCPTCIKLGIQGSYFCSQE CFKGSWATHKLLHKKAKDEK ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _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 . 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 yes UNP Q8BP48 . Metap1 . . . . . . . . . . . . . . 51119 1 2 yes UNP Q8VEH6 . ZNG . . . . . . . . . . . . . . 51119 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Release of N-terminal methionine from peptides' 51119 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 . 51119 1 2 . GLU . 51119 1 3 . GLU . 51119 1 4 . GLU . 51119 1 5 . TYR . 51119 1 6 . ALA . 51119 1 7 . GLU . 51119 1 8 . ASP . 51119 1 9 . CYS . 51119 1 10 . PRO . 51119 1 11 . GLU . 51119 1 12 . LEU . 51119 1 13 . VAL . 51119 1 14 . PRO . 51119 1 15 . ILE . 51119 1 16 . GLU . 51119 1 17 . THR . 51119 1 18 . LYS . 51119 1 19 . ASN . 51119 1 20 . GLN . 51119 1 21 . GLU . 51119 1 22 . MET . 51119 1 23 . ALA . 51119 1 24 . ALA . 51119 1 25 . VAL . 51119 1 26 . GLU . 51119 1 27 . THR . 51119 1 28 . ARG . 51119 1 29 . VAL . 51119 1 30 . CYS . 51119 1 31 . GLU . 51119 1 32 . THR . 51119 1 33 . ASP . 51119 1 34 . GLY . 51119 1 35 . CYS . 51119 1 36 . SER . 51119 1 37 . SER . 51119 1 38 . GLU . 51119 1 39 . ALA . 51119 1 40 . LYS . 51119 1 41 . LEU . 51119 1 42 . GLN . 51119 1 43 . CYS . 51119 1 44 . PRO . 51119 1 45 . THR . 51119 1 46 . CYS . 51119 1 47 . ILE . 51119 1 48 . LYS . 51119 1 49 . LEU . 51119 1 50 . GLY . 51119 1 51 . ILE . 51119 1 52 . GLN . 51119 1 53 . GLY . 51119 1 54 . SER . 51119 1 55 . TYR . 51119 1 56 . PHE . 51119 1 57 . CYS . 51119 1 58 . SER . 51119 1 59 . GLN . 51119 1 60 . GLU . 51119 1 61 . CYS . 51119 1 62 . PHE . 51119 1 63 . LYS . 51119 1 64 . GLY . 51119 1 65 . SER . 51119 1 66 . TRP . 51119 1 67 . ALA . 51119 1 68 . THR . 51119 1 69 . HIS . 51119 1 70 . LYS . 51119 1 71 . LEU . 51119 1 72 . LEU . 51119 1 73 . HIS . 51119 1 74 . LYS . 51119 1 75 . LYS . 51119 1 76 . ALA . 51119 1 77 . LYS . 51119 1 78 . ASP . 51119 1 79 . GLU . 51119 1 80 . LYS . 51119 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 51119 1 . GLU 2 2 51119 1 . GLU 3 3 51119 1 . GLU 4 4 51119 1 . TYR 5 5 51119 1 . ALA 6 6 51119 1 . GLU 7 7 51119 1 . ASP 8 8 51119 1 . CYS 9 9 51119 1 . PRO 10 10 51119 1 . GLU 11 11 51119 1 . LEU 12 12 51119 1 . VAL 13 13 51119 1 . PRO 14 14 51119 1 . ILE 15 15 51119 1 . GLU 16 16 51119 1 . THR 17 17 51119 1 . LYS 18 18 51119 1 . ASN 19 19 51119 1 . GLN 20 20 51119 1 . GLU 21 21 51119 1 . MET 22 22 51119 1 . ALA 23 23 51119 1 . ALA 24 24 51119 1 . VAL 25 25 51119 1 . GLU 26 26 51119 1 . THR 27 27 51119 1 . ARG 28 28 51119 1 . VAL 29 29 51119 1 . CYS 30 30 51119 1 . GLU 31 31 51119 1 . THR 32 32 51119 1 . ASP 33 33 51119 1 . GLY 34 34 51119 1 . CYS 35 35 51119 1 . SER 36 36 51119 1 . SER 37 37 51119 1 . GLU 38 38 51119 1 . ALA 39 39 51119 1 . LYS 40 40 51119 1 . LEU 41 41 51119 1 . GLN 42 42 51119 1 . CYS 43 43 51119 1 . PRO 44 44 51119 1 . THR 45 45 51119 1 . CYS 46 46 51119 1 . ILE 47 47 51119 1 . LYS 48 48 51119 1 . LEU 49 49 51119 1 . GLY 50 50 51119 1 . ILE 51 51 51119 1 . GLN 52 52 51119 1 . GLY 53 53 51119 1 . SER 54 54 51119 1 . TYR 55 55 51119 1 . PHE 56 56 51119 1 . CYS 57 57 51119 1 . SER 58 58 51119 1 . GLN 59 59 51119 1 . GLU 60 60 51119 1 . CYS 61 61 51119 1 . PHE 62 62 51119 1 . LYS 63 63 51119 1 . GLY 64 64 51119 1 . SER 65 65 51119 1 . TRP 66 66 51119 1 . ALA 67 67 51119 1 . THR 68 68 51119 1 . HIS 69 69 51119 1 . LYS 70 70 51119 1 . LEU 71 71 51119 1 . LEU 72 72 51119 1 . HIS 73 73 51119 1 . LYS 74 74 51119 1 . LYS 75 75 51119 1 . ALA 76 76 51119 1 . LYS 77 77 51119 1 . ASP 78 78 51119 1 . GLU 79 79 51119 1 . LYS 80 80 51119 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51119 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 51119 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 51119 2 ZN 'Three letter code' 51119 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 51119 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51119 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 51119 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51119 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pSUMO . . . 51119 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 51119 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 51119 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51119 ZN [Zn++] SMILES CACTVS 3.341 51119 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51119 ZN [Zn+2] SMILES ACDLabs 10.04 51119 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51119 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51119 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 51119 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51119 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51119 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51119 _Sample.ID 1 _Sample.Name DL _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Metap1 zinc finger' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM 0.01 . . . 51119 1 2 'ZINC ION' 'natural abundance' . . 2 $entity_ZN . . 2 . . mM 0.001 . . . 51119 1 3 DSS 'natural abundance' . . . . . . 0.3 . . mM 0.01 . . . 51119 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 0.01 . . . 51119 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM 0.01 . . . 51119 1 6 TCEP 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 51119 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51119 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _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 . pH 51119 1 pressure 1 . atm 51119 1 temperature 298 . K 51119 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51119 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.0.9 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51119 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51119 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51119 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51119 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51119 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51119 _Software.ID 4 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51119 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51119 _Software.ID 5 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51119 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51119 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51119 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'T1/R1 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51119 1 2 'T2/R2 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51119 1 3 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51119 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51119 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name hNOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H-15N heteronoe' . . . 51119 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $software_2 . . 51119 1 3 $software_3 . . 51119 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 GLU N N 15 . 1 1 3 3 GLU H H 1 -0.6355 0.0009 . . . . . . . . . . 51119 1 2 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 -0.1888 0.0009 . . . . . . . . . . 51119 1 3 . 1 1 5 5 TYR N N 15 . 1 1 5 5 TYR H H 1 0.0413 0.0011 . . . . . . . . . . 51119 1 4 . 1 1 6 6 ALA N N 15 . 1 1 6 6 ALA H H 1 0.3640 0.0014 . . . . . . . . . . 51119 1 5 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.2462 0.0272 . . . . . . . . . . 51119 1 6 . 1 1 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 0.6431 0.0012 . . . . . . . . . . 51119 1 7 . 1 1 9 9 CYS N N 15 . 1 1 9 9 CYS H H 1 0.6916 0.0014 . . . . . . . . . . 51119 1 8 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.8026 0.0012 . . . . . . . . . . 51119 1 9 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.7959 0.0020 . . . . . . . . . . 51119 1 10 . 1 1 13 13 VAL N N 15 . 1 1 13 13 VAL H H 1 0.7855 0.0019 . . . . . . . . . . 51119 1 11 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.6996 0.0014 . . . . . . . . . . 51119 1 12 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.6689 0.0016 . . . . . . . . . . 51119 1 13 . 1 1 17 17 THR N N 15 . 1 1 17 17 THR H H 1 0.3613 0.0025 . . . . . . . . . . 51119 1 14 . 1 1 18 18 LYS N N 15 . 1 1 18 18 LYS H H 1 0.3353 0.0028 . . . . . . . . . . 51119 1 15 . 1 1 19 19 ASN N N 15 . 1 1 19 19 ASN H H 1 0.2926 0.0060 . . . . . . . . . . 51119 1 16 . 1 1 20 20 GLN N N 15 . 1 1 20 20 GLN H H 1 0.2413 0.0022 . . . . . . . . . . 51119 1 17 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.2884 0.0012 . . . . . . . . . . 51119 1 18 . 1 1 22 22 MET N N 15 . 1 1 22 22 MET H H 1 0.2535 0.0011 . . . . . . . . . . 51119 1 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.2178 0.0010 . . . . . . . . . . 51119 1 20 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.2028 0.0010 . . . . . . . . . . 51119 1 21 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.0612 0.0008 . . . . . . . . . . 51119 1 22 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.1224 0.0008 . . . . . . . . . . 51119 1 23 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.3495 0.0010 . . . . . . . . . . 51119 1 24 . 1 1 28 28 ARG N N 15 . 1 1 28 28 ARG H H 1 0.4929 0.0013 . . . . . . . . . . 51119 1 25 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.6962 0.0013 . . . . . . . . . . 51119 1 26 . 1 1 30 30 CYS N N 15 . 1 1 30 30 CYS H H 1 0.7831 0.0015 . . . . . . . . . . 51119 1 27 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.8176 0.0020 . . . . . . . . . . 51119 1 28 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.8122 0.0013 . . . . . . . . . . 51119 1 29 . 1 1 33 33 ASP N N 15 . 1 1 33 33 ASP H H 1 0.8388 0.0014 . . . . . . . . . . 51119 1 30 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.7735 0.0047 . . . . . . . . . . 51119 1 31 . 1 1 35 35 CYS N N 15 . 1 1 35 35 CYS H H 1 0.8046 0.0012 . . . . . . . . . . 51119 1 32 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.7914 0.0020 . . . . . . . . . . 51119 1 33 . 1 1 37 37 SER N N 15 . 1 1 37 37 SER H H 1 0.8152 0.0016 . . . . . . . . . . 51119 1 34 . 1 1 38 38 GLU N N 15 . 1 1 38 38 GLU H H 1 0.8174 0.0012 . . . . . . . . . . 51119 1 35 . 1 1 39 39 ALA N N 15 . 1 1 39 39 ALA H H 1 0.7801 0.0016 . . . . . . . . . . 51119 1 36 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.4158 0.0016 . . . . . . . . . . 51119 1 37 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.7659 0.0018 . . . . . . . . . . 51119 1 38 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.8030 0.0020 . . . . . . . . . . 51119 1 39 . 1 1 43 43 CYS N N 15 . 1 1 43 43 CYS H H 1 0.7945 0.0017 . . . . . . . . . . 51119 1 40 . 1 1 45 45 THR N N 15 . 1 1 45 45 THR H H 1 0.8112 0.0017 . . . . . . . . . . 51119 1 41 . 1 1 46 46 CYS N N 15 . 1 1 46 46 CYS H H 1 0.7959 0.0015 . . . . . . . . . . 51119 1 42 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.7823 0.0015 . . . . . . . . . . 51119 1 43 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.7579 0.0013 . . . . . . . . . . 51119 1 44 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.8014 0.0018 . . . . . . . . . . 51119 1 45 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.8103 0.0015 . . . . . . . . . . 51119 1 46 . 1 1 51 51 ILE N N 15 . 1 1 51 51 ILE H H 1 0.7754 0.0015 . . . . . . . . . . 51119 1 47 . 1 1 52 52 GLN N N 15 . 1 1 52 52 GLN H H 1 0.7329 0.0015 . . . . . . . . . . 51119 1 48 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.6497 0.0017 . . . . . . . . . . 51119 1 49 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.7385 0.0017 . . . . . . . . . . 51119 1 50 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.8136 0.0018 . . . . . . . . . . 51119 1 51 . 1 1 56 56 PHE N N 15 . 1 1 56 56 PHE H H 1 0.7924 0.0018 . . . . . . . . . . 51119 1 52 . 1 1 57 57 CYS N N 15 . 1 1 57 57 CYS H H 1 0.8130 0.0018 . . . . . . . . . . 51119 1 53 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.8030 0.0012 . . . . . . . . . . 51119 1 54 . 1 1 59 59 GLN N N 15 . 1 1 59 59 GLN H H 1 0.7888 0.0018 . . . . . . . . . . 51119 1 55 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.7847 0.0014 . . . . . . . . . . 51119 1 56 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.8377 0.0015 . . . . . . . . . . 51119 1 57 . 1 1 62 62 PHE N N 15 . 1 1 62 62 PHE H H 1 0.7968 0.0013 . . . . . . . . . . 51119 1 58 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.8116 0.0014 . . . . . . . . . . 51119 1 59 . 1 1 64 64 GLY N N 15 . 1 1 64 64 GLY H H 1 0.8190 0.0014 . . . . . . . . . . 51119 1 60 . 1 1 65 65 SER N N 15 . 1 1 65 65 SER H H 1 0.7804 0.0014 . . . . . . . . . . 51119 1 61 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.8201 0.0013 . . . . . . . . . . 51119 1 62 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.8082 0.0011 . . . . . . . . . . 51119 1 63 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR H H 1 0.7896 0.0013 . . . . . . . . . . 51119 1 64 . 1 1 69 69 HIS N N 15 . 1 1 69 69 HIS H H 1 0.8262 0.0015 . . . . . . . . . . 51119 1 65 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.8174 0.0014 . . . . . . . . . . 51119 1 66 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.8135 0.0015 . . . . . . . . . . 51119 1 67 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.7756 0.0013 . . . . . . . . . . 51119 1 68 . 1 1 73 73 HIS N N 15 . 1 1 73 73 HIS H H 1 0.7975 0.0014 . . . . . . . . . . 51119 1 69 . 1 1 74 74 LYS N N 15 . 1 1 74 74 LYS H H 1 0.7037 0.0012 . . . . . . . . . . 51119 1 70 . 1 1 75 75 LYS N N 15 . 1 1 75 75 LYS H H 1 0.5954 0.0013 . . . . . . . . . . 51119 1 71 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.4939 0.0012 . . . . . . . . . . 51119 1 72 . 1 1 77 77 LYS N N 15 . 1 1 77 77 LYS H H 1 0.3390 0.0010 . . . . . . . . . . 51119 1 73 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.2216 0.0009 . . . . . . . . . . 51119 1 74 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 -0.0703 0.0007 . . . . . . . . . . 51119 1 75 . 1 1 80 80 LYS N N 15 . 1 1 80 80 LYS H H 1 -0.4949 0.0007 . . . . . . . . . . 51119 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51119 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name R1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 'T1/R1 relaxation' . . . 51119 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $software_2 . . 51119 1 3 $software_3 . . 51119 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLU N N 15 1.236 0.096 . . . . . 51119 1 2 . 1 1 4 4 GLU N N 15 1.455 0.102 . . . . . 51119 1 3 . 1 1 5 5 TYR N N 15 1.561 0.045 . . . . . 51119 1 4 . 1 1 6 6 ALA N N 15 1.614 0.171 . . . . . 51119 1 5 . 1 1 7 7 GLU N N 15 6.702 1.101 . . . . . 51119 1 6 . 1 1 8 8 ASP N N 15 1.755 0.048 . . . . . 51119 1 7 . 1 1 9 9 CYS N N 15 1.679 0.076 . . . . . 51119 1 8 . 1 1 11 11 GLU N N 15 1.663 0.008 . . . . . 51119 1 9 . 1 1 12 12 LEU N N 15 1.783 0.011 . . . . . 51119 1 10 . 1 1 13 13 VAL N N 15 1.850 0.006 . . . . . 51119 1 11 . 1 1 15 15 ILE N N 15 1.682 0.013 . . . . . 51119 1 12 . 1 1 16 16 GLU N N 15 1.702 0.063 . . . . . 51119 1 13 . 1 1 17 17 THR N N 15 1.465 0.169 . . . . . 51119 1 14 . 1 1 18 18 LYS N N 15 1.581 0.144 . . . . . 51119 1 15 . 1 1 19 19 ASN N N 15 1.524 0.186 . . . . . 51119 1 16 . 1 1 20 20 GLN N N 15 1.507 0.095 . . . . . 51119 1 17 . 1 1 21 21 GLU N N 15 1.588 0.129 . . . . . 51119 1 18 . 1 1 22 22 MET N N 15 1.593 0.220 . . . . . 51119 1 19 . 1 1 23 23 ALA N N 15 1.542 0.155 . . . . . 51119 1 20 . 1 1 24 24 ALA N N 15 1.523 0.182 . . . . . 51119 1 21 . 1 1 25 25 VAL N N 15 1.540 0.066 . . . . . 51119 1 22 . 1 1 26 26 GLU N N 15 1.590 0.060 . . . . . 51119 1 23 . 1 1 27 27 THR N N 15 1.579 0.140 . . . . . 51119 1 24 . 1 1 28 28 ARG N N 15 1.729 0.046 . . . . . 51119 1 25 . 1 1 29 29 VAL N N 15 1.711 0.008 . . . . . 51119 1 26 . 1 1 30 30 CYS N N 15 1.753 0.024 . . . . . 51119 1 27 . 1 1 31 31 GLU N N 15 1.898 0.004 . . . . . 51119 1 28 . 1 1 32 32 THR N N 15 1.724 0.025 . . . . . 51119 1 29 . 1 1 33 33 ASP N N 15 1.678 0.050 . . . . . 51119 1 30 . 1 1 34 34 GLY N N 15 1.535 0.173 . . . . . 51119 1 31 . 1 1 35 35 CYS N N 15 1.786 0.060 . . . . . 51119 1 32 . 1 1 36 36 SER N N 15 1.744 0.033 . . . . . 51119 1 33 . 1 1 37 37 SER N N 15 1.555 0.057 . . . . . 51119 1 34 . 1 1 38 38 GLU N N 15 1.714 0.018 . . . . . 51119 1 35 . 1 1 39 39 ALA N N 15 1.801 0.016 . . . . . 51119 1 36 . 1 1 40 40 LYS N N 15 1.618 0.006 . . . . . 51119 1 37 . 1 1 41 41 LEU N N 15 1.880 0.007 . . . . . 51119 1 38 . 1 1 42 42 GLN N N 15 1.848 0.012 . . . . . 51119 1 39 . 1 1 43 43 CYS N N 15 1.874 0.047 . . . . . 51119 1 40 . 1 1 45 45 THR N N 15 1.786 0.041 . . . . . 51119 1 41 . 1 1 46 46 CYS N N 15 1.786 0.039 . . . . . 51119 1 42 . 1 1 47 47 ILE N N 15 1.814 0.018 . . . . . 51119 1 43 . 1 1 48 48 LYS N N 15 1.841 0.013 . . . . . 51119 1 44 . 1 1 49 49 LEU N N 15 1.809 0.002 . . . . . 51119 1 45 . 1 1 50 50 GLY N N 15 1.820 0.009 . . . . . 51119 1 46 . 1 1 51 51 ILE N N 15 1.848 0.043 . . . . . 51119 1 47 . 1 1 52 52 GLN N N 15 1.746 0.046 . . . . . 51119 1 48 . 1 1 53 53 GLY N N 15 1.603 0.170 . . . . . 51119 1 49 . 1 1 54 54 SER N N 15 1.801 0.077 . . . . . 51119 1 50 . 1 1 55 55 TYR N N 15 1.838 0.024 . . . . . 51119 1 51 . 1 1 56 56 PHE N N 15 1.830 0.034 . . . . . 51119 1 52 . 1 1 57 57 CYS N N 15 1.738 0.034 . . . . . 51119 1 53 . 1 1 58 58 SER N N 15 1.711 0.016 . . . . . 51119 1 54 . 1 1 59 59 GLN N N 15 1.770 0.050 . . . . . 51119 1 55 . 1 1 60 60 GLU N N 15 1.644 0.076 . . . . . 51119 1 56 . 1 1 61 61 CYS N N 15 1.691 0.068 . . . . . 51119 1 57 . 1 1 62 62 PHE N N 15 1.734 0.021 . . . . . 51119 1 58 . 1 1 63 63 LYS N N 15 1.752 0.012 . . . . . 51119 1 59 . 1 1 64 64 GLY N N 15 1.673 0.026 . . . . . 51119 1 60 . 1 1 65 65 SER N N 15 1.636 0.033 . . . . . 51119 1 61 . 1 1 66 66 TRP N N 15 1.907 0.026 . . . . . 51119 1 62 . 1 1 67 67 ALA N N 15 1.806 0.051 . . . . . 51119 1 63 . 1 1 68 68 THR N N 15 1.671 0.043 . . . . . 51119 1 64 . 1 1 69 69 HIS N N 15 1.865 0.048 . . . . . 51119 1 65 . 1 1 70 70 LYS N N 15 1.891 0.040 . . . . . 51119 1 66 . 1 1 71 71 LEU N N 15 1.995 0.011 . . . . . 51119 1 67 . 1 1 72 72 LEU N N 15 1.854 0.020 . . . . . 51119 1 68 . 1 1 73 73 HIS N N 15 1.838 0.024 . . . . . 51119 1 69 . 1 1 74 74 LYS N N 15 1.772 0.020 . . . . . 51119 1 70 . 1 1 75 75 LYS N N 15 1.796 0.154 . . . . . 51119 1 71 . 1 1 76 76 ALA N N 15 1.770 0.070 . . . . . 51119 1 72 . 1 1 77 77 LYS N N 15 1.727 0.128 . . . . . 51119 1 73 . 1 1 78 78 ASP N N 15 1.566 0.061 . . . . . 51119 1 74 . 1 1 79 79 GLU N N 15 1.501 0.089 . . . . . 51119 1 75 . 1 1 80 80 LYS N N 15 1.177 0.011 . . . . . 51119 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51119 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name R2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 51119 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $software_2 . . 51119 1 3 $software_3 . . 51119 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLU N N 15 . . 2.239140 0.060165 . . . . . 51119 1 2 . 1 1 4 4 GLU N N 15 . . 2.957705 0.073133 . . . . . 51119 1 3 . 1 1 5 5 TYR N N 15 . . 3.753754 0.039172 . . . . . 51119 1 4 . 1 1 6 6 ALA N N 15 . . 4.952947 0.087087 . . . . . 51119 1 5 . 1 1 7 7 GLU N N 15 . . 16.025641 8.346688 . . . . . 51119 1 6 . 1 1 8 8 ASP N N 15 . . 6.600660 0.047054 . . . . . 51119 1 7 . 1 1 9 9 CYS N N 15 . . 7.178751 0.045763 . . . . . 51119 1 8 . 1 1 11 11 GLU N N 15 . . 7.496252 0.046023 . . . . . 51119 1 9 . 1 1 12 12 LEU N N 15 . . 7.668712 0.123499 . . . . . 51119 1 10 . 1 1 13 13 VAL N N 15 . . 7.806401 0.018160 . . . . . 51119 1 11 . 1 1 15 15 ILE N N 15 . . 7.189073 0.026203 . . . . . 51119 1 12 . 1 1 16 16 GLU N N 15 . . 6.858711 0.111019 . . . . . 51119 1 13 . 1 1 17 17 THR N N 15 . . 4.803074 0.089279 . . . . . 51119 1 14 . 1 1 18 18 LYS N N 15 . . 4.357298 0.123599 . . . . . 51119 1 15 . 1 1 19 19 ASN N N 15 . . 4.093328 0.094165 . . . . . 51119 1 16 . 1 1 20 20 GLN N N 15 . . 4.196391 0.043672 . . . . . 51119 1 17 . 1 1 21 21 GLU N N 15 . . 4.196391 0.070967 . . . . . 51119 1 18 . 1 1 22 22 MET N N 15 . . 3.759398 0.089038 . . . . . 51119 1 19 . 1 1 23 23 ALA N N 15 . . 3.632401 0.096846 . . . . . 51119 1 20 . 1 1 24 24 ALA N N 15 . . 3.606203 0.109109 . . . . . 51119 1 21 . 1 1 25 25 VAL N N 15 . . 3.541076 0.034608 . . . . . 51119 1 22 . 1 1 26 26 GLU N N 15 . . 3.895598 0.028227 . . . . . 51119 1 23 . 1 1 27 27 THR N N 15 . . 4.734848 0.062324 . . . . . 51119 1 24 . 1 1 28 28 ARG N N 15 . . 5.595971 0.031315 . . . . . 51119 1 25 . 1 1 29 29 VAL N N 15 . . 6.993007 0.057216 . . . . . 51119 1 26 . 1 1 30 30 CYS N N 15 . . 8.703220 0.033783 . . . . . 51119 1 27 . 1 1 31 31 GLU N N 15 . . 8.264463 0.146848 . . . . . 51119 1 28 . 1 1 32 32 THR N N 15 . . 8.305648 0.059395 . . . . . 51119 1 29 . 1 1 33 33 ASP N N 15 . . 8.952551 0.113009 . . . . . 51119 1 30 . 1 1 34 34 GLY N N 15 . . 7.794232 0.103883 . . . . . 51119 1 31 . 1 1 35 35 CYS N N 15 . . 8.285004 0.078937 . . . . . 51119 1 32 . 1 1 36 36 SER N N 15 . . 8.361204 0.067113 . . . . . 51119 1 33 . 1 1 37 37 SER N N 15 . . 9.633911 0.254306 . . . . . 51119 1 34 . 1 1 38 38 GLU N N 15 . . 7.911392 0.050260 . . . . . 51119 1 35 . 1 1 39 39 ALA N N 15 . . 7.570023 0.062463 . . . . . 51119 1 36 . 1 1 40 40 LYS N N 15 . . 6.238303 0.027981 . . . . . 51119 1 37 . 1 1 41 41 LEU N N 15 . . 7.961783 0.052360 . . . . . 51119 1 38 . 1 1 42 42 GLN N N 15 . . 8.417508 0.021256 . . . . . 51119 1 39 . 1 1 43 43 CYS N N 15 . . 8.375209 0.094695 . . . . . 51119 1 40 . 1 1 45 45 THR N N 15 . . 8.305648 0.133829 . . . . . 51119 1 41 . 1 1 46 46 CYS N N 15 . . 7.581501 0.024256 . . . . . 51119 1 42 . 1 1 47 47 ILE N N 15 . . 8.045052 0.012750 . . . . . 51119 1 43 . 1 1 48 48 LYS N N 15 . . 8.264463 0.094256 . . . . . 51119 1 44 . 1 1 49 49 LEU N N 15 . . 7.892660 0.043793 . . . . . 51119 1 45 . 1 1 50 50 GLY N N 15 . . 7.770008 0.137047 . . . . . 51119 1 46 . 1 1 51 51 ILE N N 15 . . 7.776050 0.087677 . . . . . 51119 1 47 . 1 1 52 52 GLN N N 15 . . 7.651109 0.048588 . . . . . 51119 1 48 . 1 1 53 53 GLY N N 15 . . 7.137759 0.087120 . . . . . 51119 1 49 . 1 1 54 54 SER N N 15 . . 8.568980 0.052354 . . . . . 51119 1 50 . 1 1 55 55 TYR N N 15 . . 8.305648 0.026904 . . . . . 51119 1 51 . 1 1 56 56 PHE N N 15 . . 7.710100 0.085007 . . . . . 51119 1 52 . 1 1 57 57 CYS N N 15 . . 8.149959 0.021521 . . . . . 51119 1 53 . 1 1 58 58 SER N N 15 . . 8.123477 0.053651 . . . . . 51119 1 54 . 1 1 59 59 GLN N N 15 . . 8.865248 0.052186 . . . . . 51119 1 55 . 1 1 60 60 GLU N N 15 . . 9.182736 0.076565 . . . . . 51119 1 56 . 1 1 61 61 CYS N N 15 . . 9.124088 0.124873 . . . . . 51119 1 57 . 1 1 62 62 PHE N N 15 . . 8.928571 0.023119 . . . . . 51119 1 58 . 1 1 63 63 LYS N N 15 . . 9.460738 0.085925 . . . . . 51119 1 59 . 1 1 64 64 GLY N N 15 . . 9.319664 0.039172 . . . . . 51119 1 60 . 1 1 65 65 SER N N 15 . . 8.077544 0.020814 . . . . . 51119 1 61 . 1 1 66 66 TRP N N 15 . . 8.019246 0.109324 . . . . . 51119 1 62 . 1 1 67 67 ALA N N 15 . . 8.333333 0.016806 . . . . . 51119 1 63 . 1 1 68 68 THR N N 15 . . 7.961783 0.077970 . . . . . 51119 1 64 . 1 1 69 69 HIS N N 15 . . 8.176615 0.109646 . . . . . 51119 1 65 . 1 1 70 70 LYS N N 15 . . 7.936508 0.017637 . . . . . 51119 1 66 . 1 1 71 71 LEU N N 15 . . 9.149131 0.087055 . . . . . 51119 1 67 . 1 1 72 72 LEU N N 15 . . 8.802817 0.011778 . . . . . 51119 1 68 . 1 1 73 73 HIS N N 15 . . 7.782101 0.045300 . . . . . 51119 1 69 . 1 1 74 74 LYS N N 15 . . 6.944444 0.036458 . . . . . 51119 1 70 . 1 1 75 75 LYS N N 15 . . 6.418485 0.058912 . . . . . 51119 1 71 . 1 1 76 76 ALA N N 15 . . 5.952381 0.080782 . . . . . 51119 1 72 . 1 1 77 77 LYS N N 15 . . 4.921260 0.054492 . . . . . 51119 1 73 . 1 1 78 78 ASP N N 15 . . 4.156276 0.105721 . . . . . 51119 1 74 . 1 1 79 79 GLU N N 15 . . 3.503854 0.014610 . . . . . 51119 1 75 . 1 1 80 80 LYS N N 15 . . 1.734906 0.065014 . . . . . 51119 1 stop_ save_