data_6653 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6653 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'comparison of one- and two-zinc finger protein domains' 'Structure analysis' ; structural comparison of one- and two-zinc finger protein domains using chemical shift data, in which the two fingers form a stable interacting motif ; 6653 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'zinc finger' 6653 1 . 'one finger' 6653 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . pending 'assignments for finger 1 of Zap1' ; backbone resonance assignments for zinc finger 1 and a C-terminal disordered linker region of the Zap1 protein from Saccharomyces cerevisiae. ; 6653 1 . pending 'assignments for two-zinc finger protein of Zap1' ; backbone and side chain resonance assignments for zinc fingers 1 and 2 of Zap1 from Saccharomyces cerevisiae. Three non-zinc-liganding cysteines were mutated to alanines in order to obtain a stable protein for NMR data collection. ; 6653 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6653 _Entry.Title ; Solution Structure of a Zap1 Zinc-Responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-03 _Entry.Accession_date 2005-06-03 _Entry.Last_release_date 2006-04-24 _Entry.Original_release_date 2006-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Single zinc finger (zzf1L) of zzf1-2 used for comparative study.' _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 Zhonghua Wang . . . 6653 2 Linda Feng . S. . 6653 3 Krishna Venkataraman . . . 6653 4 Viktor Matskevich . A. . 6653 5 Priya Parasuram . . . 6653 6 John Laity . H. . 6653 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6653 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 89 6653 '1H chemical shifts' 26 6653 '15N chemical shifts' 26 6653 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 . . 2006-04-24 2005-06-02 original author . 6653 stop_ save_ ############### # Citations # ############### save_Reference_1 _Citation.Sf_category citations _Citation.Sf_framecode Reference_1 _Citation.Entry_ID 6653 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Zap1p, a metalloregulatory protein involved in zinc-responsive transcriptional regulation in Saccharomyces cerevisiae. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 9 _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 5044 _Citation.Page_last 5052 _Citation.Year 1997 _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 Hui Zhao . . . 6653 1 2 David Eide . J . 6653 1 stop_ save_ save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6653 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16483601 _Citation.Full_citation . _Citation.Title ; Solution Structure of a Zap1 Zinc-responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 357 _Citation.Journal_issue 4 _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 1167 _Citation.Page_last 1183 _Citation.Year 2006 _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 Zhonghua Wang . . . 6653 2 2 Linda Feng . S. . 6653 2 3 Viktor Matskevich . A. . 6653 2 4 Krishna Venkataraman . . . 6653 2 5 Priya Parasuram . . . 6653 2 6 John Laity . H. . 6653 2 stop_ save_ save_Reference_2 _Citation.Sf_category citations _Citation.Sf_framecode Reference_2 _Citation.Entry_ID 6653 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14517251 _Citation.Full_citation . _Citation.Title ; Zinc fingers can act as Zn(II) sensors to regulate transcriptional activation domain function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 19 _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 5137 _Citation.Page_last 5146 _Citation.Year 2003 _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 Amanda Bird . J. . 6653 3 2 McCall McCall . . . 6653 3 3 Michelle Kramer . . . 6653 3 4 Elizabeth Blankman . . . 6653 3 5 Dennis Winge . R. . 6653 3 6 David Eide . J. . 6653 3 stop_ save_ save_Reference_3 _Citation.Sf_category citations _Citation.Sf_framecode Reference_3 _Citation.Entry_ID 6653 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMRView: A computer program for the visualization and analysis of NMR Data' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _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 603 _Citation.Page_last 614 _Citation.Year 1994 _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 B. Johnson . A. . 6653 4 2 R. Blevins . A. . 6653 4 stop_ save_ save_Reference_4 _Citation.Sf_category citations _Citation.Sf_framecode Reference_4 _Citation.Entry_ID 6653 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation . _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 3 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _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 F. Delaglio . . . 6653 5 2 S. Grzesiek . . . 6653 5 3 G. Vuister . W. . 6653 5 4 G. Zhu . . . 6653 5 5 J. Pfeifer . . . 6653 5 6 A. Bax . . . 6653 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6653 _Assembly.ID 1 _Assembly.Name zzf1L _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass 4456 _Assembly.Enzyme_commission_number . _Assembly.Details 'finger 1 and linker of zap1 protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-ligand system' 6653 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 '38 amino acid polypeptide' 1 $Zap1_zinc_finger_1_and_linker . . yes native no no . protein . 6653 1 2 Zinc 2 $ZN . . yes native no no diamagnetic 'structure zinc' . 6653 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 metal-ligand SING . 1 . 1 CYS 4 4 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6653 1 2 metal-ligand SING . 1 . 1 CYS 9 9 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6653 1 3 metal-ligand SING . 1 . 1 HIS 22 22 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6653 1 4 metal-ligand SING . 1 . 1 HIS 27 27 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6653 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . . 1 CYS 4 4 SH . . . . 6653 1 2 . . 1 CYS 9 9 SH . . . . 6653 1 3 . . 1 HIS 22 22 HE2 . . . . 6653 1 4 . . 1 HIS 27 27 HE2 . . . . 6653 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcription factor' 6653 1 'metalloregulatory protein' 6653 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'zinc finger' 6653 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Zap1_zinc_finger_1_and_linker _Entity.Sf_category entity _Entity.Sf_framecode Zap1_zinc_finger_1_and_linker _Entity.Entry_ID 6653 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name zzf1L _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 ; DLKCKWKECPESCSSLFDLQ RHLLKDHVSQDFKHPMEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 2 _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 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and 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 'One Cys2His2 zinc finger with a linker' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription factor' 6653 1 'metalloregulatory protein' 6653 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Zap1 zinc finger 1 and linker' . 6653 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'transcription factor' 6653 1 'metalloregulatory protein' 6653 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 2 ASP . 6653 1 2 3 LEU . 6653 1 3 4 LYS . 6653 1 4 5 CYS . 6653 1 5 6 LYS . 6653 1 6 7 TRP . 6653 1 7 8 LYS . 6653 1 8 9 GLU . 6653 1 9 10 CYS . 6653 1 10 11 PRO . 6653 1 11 12 GLU . 6653 1 12 13 SER . 6653 1 13 14 CYS . 6653 1 14 15 SER . 6653 1 15 16 SER . 6653 1 16 17 LEU . 6653 1 17 18 PHE . 6653 1 18 19 ASP . 6653 1 19 20 LEU . 6653 1 20 21 GLN . 6653 1 21 22 ARG . 6653 1 22 23 HIS . 6653 1 23 24 LEU . 6653 1 24 25 LEU . 6653 1 25 26 LYS . 6653 1 26 27 ASP . 6653 1 27 28 HIS . 6653 1 28 29 VAL . 6653 1 29 30 SER . 6653 1 30 31 GLN . 6653 1 31 32 ASP . 6653 1 32 33 PHE . 6653 1 33 34 LYS . 6653 1 34 35 HIS . 6653 1 35 36 PRO . 6653 1 36 37 MET . 6653 1 37 38 GLU . 6653 1 38 39 PRO . 6653 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 . ASP 1 1 6653 1 . LEU 2 2 6653 1 . LYS 3 3 6653 1 . CYS 4 4 6653 1 . LYS 5 5 6653 1 . TRP 6 6 6653 1 . LYS 7 7 6653 1 . GLU 8 8 6653 1 . CYS 9 9 6653 1 . PRO 10 10 6653 1 . GLU 11 11 6653 1 . SER 12 12 6653 1 . CYS 13 13 6653 1 . SER 14 14 6653 1 . SER 15 15 6653 1 . LEU 16 16 6653 1 . PHE 17 17 6653 1 . ASP 18 18 6653 1 . LEU 19 19 6653 1 . GLN 20 20 6653 1 . ARG 21 21 6653 1 . HIS 22 22 6653 1 . LEU 23 23 6653 1 . LEU 24 24 6653 1 . LYS 25 25 6653 1 . ASP 26 26 6653 1 . HIS 27 27 6653 1 . VAL 28 28 6653 1 . SER 29 29 6653 1 . GLN 30 30 6653 1 . ASP 31 31 6653 1 . PHE 32 32 6653 1 . LYS 33 33 6653 1 . HIS 34 34 6653 1 . PRO 35 35 6653 1 . MET 36 36 6653 1 . GLU 37 37 6653 1 . PRO 38 38 6653 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6653 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6653 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6653 _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 $Zap1_zinc_finger_1_and_linker . 4932 organism . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6653 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID 1 1 $Zap1_zinc_finger_1_and_linker . . . P4743 Swiss-prot J1145 YJL056C . 6653 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 6653 _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 $Zap1_zinc_finger_1_and_linker . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . plasmid . . p21a-zzf1L ; Zap1 gene derived from pYeF2ZAP1. (Gift from D.J. Eide, U Wisconsin-Madison).zzf1L portion of gene cloned into pET-21a plasmid (Novagen). Further details can be found in entry citation. ; Novagen . . . . 6653 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 6653 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 8 10:36:42 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 6653 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6653 ZN [Zn++] SMILES CACTVS 3.341 6653 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6653 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6653 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6653 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6653 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 6653 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6653 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6653 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6653 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'zzf1L, Zn(II), MES, DSS, NaN2,THP' _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 zzf1L '[U-13C; U-15N]' . . 1 $Zap1_zinc_finger_1_and_linker . . 0.8 . . mM . . . . 6653 1 2 ZN . . . 2 $ZN . . 0.9 . . mM . . . . 6653 1 3 MES . . . . . . . 20 . . mM . . . . 6653 1 4 'Tri(2-carboxyethyl)-phosphine hydrochloride' . . . . . . . 0.5 . . mM . . . . 6653 1 5 DSS . . . . . . . 0.2 . . mM . . . . 6653 1 6 NaN2 . . . . . . . 1 . . mM . . . . 6653 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6653 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.03 pH 6653 1 temperature 293 0.1 K 6653 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6653 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 6653 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6653 _Software.ID 2 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Raw spectral data processing' 6653 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_14.1_T_Varian_Inova_600Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 14.1_T_Varian_Inova_600Mhz _NMR_spectrometer.Entry_ID 6653 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance {1H,15N,13C} probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6653 _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 '2D 1H-15N_HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600Mhz . . . . . . . . . . . . . . . . 6653 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600Mhz . . . . . . . . . . . . . . . . 6653 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600Mhz . . . . . . . . . . . . . . . . 6653 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $14.1_T_Varian_Inova_600Mhz . . . . . . . . . . . . . . . . 6653 1 stop_ save_ save_2D_1H-15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H-15N_HSQC _NMR_spec_expt.Entry_ID 6653 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 2D_1H-15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCACB _NMR_spec_expt.Entry_ID 6653 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NH _NMR_spec_expt.Entry_ID 6653 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D_CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 6653 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D_HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $14.1_T_Varian_Inova_600Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details BioPack save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6653 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6653 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6653 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6653 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6653 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N_HSQC' 1 $sample_1 isotropic 6653 1 2 '3D HNCACB' 1 $sample_1 isotropic 6653 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 6653 1 4 '3D HNCO' 1 $sample_1 isotropic 6653 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'water saturation' H 1 4.821 0.01 6653 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6653 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 1 1 ASP C C 13 175.1 0.080 . 1 . . . . 2 ASP C . 6653 1 2 . 1 1 1 1 ASP CA C 13 54.451 0.310 . 1 . . . . 2 ASP CA . 6653 1 3 . 1 1 1 1 ASP CB C 13 41.792 0.310 . 1 . . . . 2 ASP CB . 6653 1 4 . 1 1 2 2 LEU H H 1 8.793 0.015 . 1 . . . . 3 LEU H . 6653 1 5 . 1 1 2 2 LEU C C 13 175.367 0.080 . 1 . . . . 3 LEU C . 6653 1 6 . 1 1 2 2 LEU CA C 13 54.249 0.310 . 1 . . . . 3 LEU CA . 6653 1 7 . 1 1 2 2 LEU CB C 13 42.602 0.310 . 1 . . . . 3 LEU CB . 6653 1 8 . 1 1 2 2 LEU N N 15 123.703 0.140 . 1 . . . . 3 LEU N . 6653 1 9 . 1 1 3 3 LYS H H 1 8.239 0.015 . 1 . . . . 4 LYS H . 6653 1 10 . 1 1 3 3 LYS C C 13 175.569 0.080 . 1 . . . . 4 LYS C . 6653 1 11 . 1 1 3 3 LYS CA C 13 55.160 0.310 . 1 . . . . 4 LYS CA . 6653 1 12 . 1 1 3 3 LYS CB C 13 33.336 0.310 . 1 . . . . 4 LYS CB . 6653 1 13 . 1 1 3 3 LYS N N 15 123.701 0.140 . 1 . . . . 4 LYS N . 6653 1 14 . 1 1 4 4 CYS H H 1 8.051 0.015 . 1 . . . . 5 CYS H . 6653 1 15 . 1 1 4 4 CYS CA C 13 61.945 0.310 . 1 . . . . 5 CYS CA . 6653 1 16 . 1 1 4 4 CYS CB C 13 30.348 0.310 . 1 . . . . 5 CYS CB . 6653 1 17 . 1 1 4 4 CYS N N 15 126.953 0.140 . 1 . . . . 5 CYS N . 6653 1 18 . 1 1 8 8 GLU C C 13 175.334 0.080 . 1 . . . . 9 GLU C . 6653 1 19 . 1 1 8 8 GLU CA C 13 56.882 0.310 . 1 . . . . 9 GLU CA . 6653 1 20 . 1 1 8 8 GLU CB C 13 28.222 0.310 . 1 . . . . 9 GLU CB . 6653 1 21 . 1 1 9 9 CYS H H 1 8.186 0.015 . 1 . . . . 10 CYS H . 6653 1 22 . 1 1 9 9 CYS CA C 13 57.894 0.310 . 1 . . . . 10 CYS CA . 6653 1 23 . 1 1 9 9 CYS CB C 13 31.766 0.310 . 1 . . . . 10 CYS CB . 6653 1 24 . 1 1 9 9 CYS N N 15 124.974 0.140 . 1 . . . . 10 CYS N . 6653 1 25 . 1 1 10 10 PRO C C 13 177.279 0.080 . 1 . . . . 11 PRO C . 6653 1 26 . 1 1 10 10 PRO CA C 13 63.565 0.310 . 1 . . . . 11 PRO CA . 6653 1 27 . 1 1 10 10 PRO CB C 13 32.981 0.310 . 1 . . . . 11 PRO CB . 6653 1 28 . 1 1 11 11 GLU H H 1 8.947 0.015 . 1 . . . . 12 GLU H . 6653 1 29 . 1 1 11 11 GLU C C 13 176.642 0.080 . 1 . . . . 12 GLU C . 6653 1 30 . 1 1 11 11 GLU CA C 13 58.553 0.310 . 1 . . . . 12 GLU CA . 6653 1 31 . 1 1 11 11 GLU CB C 13 31.108 0.310 . 1 . . . . 12 GLU CB . 6653 1 32 . 1 1 11 11 GLU N N 15 124.125 0.140 . 1 . . . . 12 GLU N . 6653 1 33 . 1 1 12 12 SER H H 1 8.637 0.015 . 1 . . . . 13 SER H . 6653 1 34 . 1 1 12 12 SER C C 13 173.455 0.080 . 1 . . . . 13 SER C . 6653 1 35 . 1 1 12 12 SER CA C 13 58.198 0.310 . 1 . . . . 13 SER CA . 6653 1 36 . 1 1 12 12 SER CB C 13 65.691 0.310 . 1 . . . . 13 SER CB . 6653 1 37 . 1 1 12 12 SER N N 15 118.894 0.140 . 1 . . . . 13 SER N . 6653 1 38 . 1 1 13 13 CYS H H 1 8.815 0.015 . 1 . . . . 14 CYS H . 6653 1 39 . 1 1 13 13 CYS C C 13 174.764 0.080 . 1 . . . . 14 CYS C . 6653 1 40 . 1 1 13 13 CYS CA C 13 58.350 0.310 . 1 . . . . 14 CYS CA . 6653 1 41 . 1 1 13 13 CYS CB C 13 33.083 0.310 . 1 . . . . 14 CYS CB . 6653 1 42 . 1 1 13 13 CYS N N 15 120.732 0.140 . 1 . . . . 14 CYS N . 6653 1 43 . 1 1 14 14 SER H H 1 9.482 0.015 . 1 . . . . 15 SER H . 6653 1 44 . 1 1 14 14 SER C C 13 173.824 0.080 . 1 . . . . 15 SER C . 6653 1 45 . 1 1 14 14 SER CA C 13 59.818 0.310 . 1 . . . . 15 SER CA . 6653 1 46 . 1 1 14 14 SER CB C 13 64.577 0.310 . 1 . . . . 15 SER CB . 6653 1 47 . 1 1 14 14 SER N N 15 115.924 0.140 . 1 . . . . 15 SER N . 6653 1 48 . 1 1 15 15 SER H H 1 7.506 0.015 . 1 . . . . 16 SER H . 6653 1 49 . 1 1 15 15 SER C C 13 174.093 0.080 . 1 . . . . 16 SER C . 6653 1 50 . 1 1 15 15 SER CA C 13 57.034 0.310 . 1 . . . . 16 SER CA . 6653 1 51 . 1 1 15 15 SER CB C 13 66.805 0.310 . 1 . . . . 16 SER CB . 6653 1 52 . 1 1 15 15 SER N N 15 111.965 0.140 . 1 . . . . 16 SER N . 6653 1 53 . 1 1 16 16 LEU H H 1 9.171 0.015 . 1 . . . . 17 LEU H . 6653 1 54 . 1 1 16 16 LEU C C 13 178.588 0.080 . 1 . . . . 17 LEU C . 6653 1 55 . 1 1 16 16 LEU CA C 13 58.553 0.310 . 1 . . . . 17 LEU CA . 6653 1 56 . 1 1 16 16 LEU CB C 13 41.690 0.310 . 1 . . . . 17 LEU CB . 6653 1 57 . 1 1 16 16 LEU N N 15 124.125 0.140 . 1 . . . . 17 LEU N . 6653 1 58 . 1 1 17 17 PHE H H 1 8.392 0.015 . 1 . . . . 18 PHE H . 6653 1 59 . 1 1 17 17 PHE C C 13 177.883 0.080 . 1 . . . . 18 PHE C . 6653 1 60 . 1 1 17 17 PHE CA C 13 61.236 0.310 . 1 . . . . 18 PHE CA . 6653 1 61 . 1 1 17 17 PHE CB C 13 39.412 0.310 . 1 . . . . 18 PHE CB . 6653 1 62 . 1 1 17 17 PHE N N 15 119.742 0.140 . 1 . . . . 18 PHE N . 6653 1 63 . 1 1 18 18 ASP H H 1 8.091 0.015 . 1 . . . . 19 ASP H . 6653 1 64 . 1 1 18 18 ASP C C 13 178.655 0.080 . 1 . . . . 19 ASP C . 6653 1 65 . 1 1 18 18 ASP CA C 13 57.693 0.310 . 1 . . . . 19 ASP CA . 6653 1 66 . 1 1 18 18 ASP CB C 13 41.488 0.310 . 1 . . . . 19 ASP CB . 6653 1 67 . 1 1 18 18 ASP N N 15 119.601 0.140 . 1 . . . . 19 ASP N . 6653 1 68 . 1 1 19 19 LEU H H 1 8.223 0.015 . 1 . . . . 20 LEU H . 6653 1 69 . 1 1 19 19 LEU C C 13 178.118 0.080 . 1 . . . . 20 LEU C . 6653 1 70 . 1 1 19 19 LEU CA C 13 58.705 0.310 . 1 . . . . 20 LEU CA . 6653 1 71 . 1 1 19 19 LEU CB C 13 41.994 0.310 . 1 . . . . 20 LEU CB . 6653 1 72 . 1 1 19 19 LEU N N 15 122.853 0.140 . 1 . . . . 20 LEU N . 6653 1 73 . 1 1 20 20 GLN H H 1 8.482 0.015 . 1 . . . . 21 GLN H . 6653 1 74 . 1 1 20 20 GLN C C 13 177.246 0.080 . 1 . . . . 21 GLN C . 6653 1 75 . 1 1 20 20 GLN CA C 13 60.629 0.310 . 1 . . . . 21 GLN CA . 6653 1 76 . 1 1 20 20 GLN CB C 13 28.323 0.310 . 1 . . . . 21 GLN CB . 6653 1 77 . 1 1 20 20 GLN N N 15 118.611 0.140 . 1 . . . . 21 GLN N . 6653 1 78 . 1 1 21 21 ARG H H 1 7.867 0.015 . 1 . . . . 22 ARG H . 6653 1 79 . 1 1 21 21 ARG C C 13 178.152 0.080 . 1 . . . . 22 ARG C . 6653 1 80 . 1 1 21 21 ARG CA C 13 59.616 0.310 . 1 . . . . 22 ARG CA . 6653 1 81 . 1 1 21 21 ARG CB C 13 30.045 0.310 . 1 . . . . 22 ARG CB . 6653 1 82 . 1 1 21 21 ARG N N 15 118.045 0.140 . 1 . . . . 22 ARG N . 6653 1 83 . 1 1 22 22 HIS H H 1 8.375 0.015 . 1 . . . . 23 HIS H . 6653 1 84 . 1 1 22 22 HIS C C 13 176.810 0.080 . 1 . . . . 23 HIS C . 6653 1 85 . 1 1 22 22 HIS CA C 13 58.958 0.310 . 1 . . . . 23 HIS CA . 6653 1 86 . 1 1 22 22 HIS CB C 13 29.083 0.310 . 1 . . . . 23 HIS CB . 6653 1 87 . 1 1 22 22 HIS N N 15 119.318 0.140 . 1 . . . . 23 HIS N . 6653 1 88 . 1 1 23 23 LEU H H 1 8.650 0.015 . 1 . . . . 24 LEU H . 6653 1 89 . 1 1 23 23 LEU C C 13 178.722 0.080 . 1 . . . . 24 LEU C . 6653 1 90 . 1 1 23 23 LEU CA C 13 58.958 0.310 . 1 . . . . 24 LEU CA . 6653 1 91 . 1 1 23 23 LEU CB C 13 42.602 0.310 . 1 . . . . 24 LEU CB . 6653 1 92 . 1 1 23 23 LEU N N 15 119.176 0.140 . 1 . . . . 24 LEU N . 6653 1 93 . 1 1 24 24 LEU H H 1 7.715 0.015 . 1 . . . . 25 LEU H . 6653 1 94 . 1 1 24 24 LEU C C 13 177.850 0.080 . 1 . . . . 25 LEU C . 6653 1 95 . 1 1 24 24 LEU CA C 13 57.895 0.310 . 1 . . . . 25 LEU CA . 6653 1 96 . 1 1 24 24 LEU CB C 13 41.944 0.310 . 1 . . . . 25 LEU CB . 6653 1 97 . 1 1 24 24 LEU N N 15 116.914 0.140 . 1 . . . . 25 LEU N . 6653 1 98 . 1 1 25 25 LYS H H 1 8.287 0.015 . 1 . . . . 26 LYS H . 6653 1 99 . 1 1 25 25 LYS C C 13 177.715 0.080 . 1 . . . . 26 LYS C . 6653 1 100 . 1 1 25 25 LYS CA C 13 58.300 0.310 . 1 . . . . 26 LYS CA . 6653 1 101 . 1 1 25 25 LYS CB C 13 33.640 0.310 . 1 . . . . 26 LYS CB . 6653 1 102 . 1 1 25 25 LYS N N 15 117.762 0.140 . 1 . . . . 26 LYS N . 6653 1 103 . 1 1 26 26 ASP H H 1 8.074 0.015 . 1 . . . . 27 ASP H . 6653 1 104 . 1 1 26 26 ASP CA C 13 55.869 0.310 . 1 . . . . 27 ASP CA . 6653 1 105 . 1 1 26 26 ASP CB C 13 40.779 0.310 . 1 . . . . 27 ASP CB . 6653 1 106 . 1 1 26 26 ASP N N 15 114.793 0.140 . 1 . . . . 27 ASP N . 6653 1 107 . 1 1 30 30 GLN C C 13 176.072 0.080 . 1 . . . . 31 GLN C . 6653 1 108 . 1 1 30 30 GLN CA C 13 56.375 0.310 . 1 . . . . 31 GLN CA . 6653 1 109 . 1 1 30 30 GLN CB C 13 29.842 0.310 . 1 . . . . 31 GLN CB . 6653 1 110 . 1 1 31 31 ASP H H 1 8.299 0.015 . 1 . . . . 32 ASP H . 6653 1 111 . 1 1 31 31 ASP C C 13 176.072 0.080 . 1 . . . . 32 ASP C . 6653 1 112 . 1 1 31 31 ASP CA C 13 55.261 0.310 . 1 . . . . 32 ASP CA . 6653 1 113 . 1 1 31 31 ASP CB C 13 41.387 0.310 . 1 . . . . 32 ASP CB . 6653 1 114 . 1 1 31 31 ASP N N 15 120.025 0.140 . 1 . . . . 32 ASP N . 6653 1 115 . 1 1 32 32 PHE H H 1 7.937 0.015 . 1 . . . . 33 PHE H . 6653 1 116 . 1 1 32 32 PHE C C 13 175.200 0.080 . 1 . . . . 33 PHE C . 6653 1 117 . 1 1 32 32 PHE CA C 13 57.743 0.310 . 1 . . . . 33 PHE CA . 6653 1 118 . 1 1 32 32 PHE CB C 13 39.614 0.310 . 1 . . . . 33 PHE CB . 6653 1 119 . 1 1 32 32 PHE N N 15 119.569 0.140 . 1 . . . . 33 PHE N . 6653 1 120 . 1 1 33 33 LYS H H 1 7.948 0.015 . 1 . . . . 34 LYS H . 6653 1 121 . 1 1 33 33 LYS C C 13 175.770 0.080 . 1 . . . . 34 LYS C . 6653 1 122 . 1 1 33 33 LYS CA C 13 56.426 0.310 . 1 . . . . 34 LYS CA . 6653 1 123 . 1 1 33 33 LYS CB C 13 33.285 0.310 . 1 . . . . 34 LYS CB . 6653 1 124 . 1 1 33 33 LYS N N 15 122.004 0.140 . 1 . . . . 34 LYS N . 6653 1 125 . 1 1 34 34 HIS H H 1 8.402 0.015 . 1 . . . . 35 HIS H . 6653 1 126 . 1 1 34 34 HIS CA C 13 54.654 0.310 . 1 . . . . 35 HIS CA . 6653 1 127 . 1 1 34 34 HIS CB C 13 30.551 0.310 . 1 . . . . 35 HIS CB . 6653 1 128 . 1 1 34 34 HIS N N 15 122.004 0.140 . 1 . . . . 35 HIS N . 6653 1 129 . 1 1 35 35 PRO C C 13 176.877 0.080 . 1 . . . . 36 PRO C . 6653 1 130 . 1 1 35 35 PRO CA C 13 63.650 0.310 . 1 . . . . 36 PRO CA . 6653 1 131 . 1 1 35 35 PRO CB C 13 32.500 0.310 . 1 . . . . 36 PRO CB . 6653 1 132 . 1 1 36 36 MET H H 1 8.781 0.015 . 1 . . . . 37 MET H . 6653 1 133 . 1 1 36 36 MET C C 13 174.764 0.080 . 1 . . . . 37 MET C . 6653 1 134 . 1 1 36 36 MET CA C 13 55.603 0.310 . 1 . . . . 37 MET CA . 6653 1 135 . 1 1 36 36 MET CB C 13 33.187 0.310 . 1 . . . . 37 MET CB . 6653 1 136 . 1 1 36 36 MET N N 15 120.314 0.140 . 1 . . . . 37 MET N . 6653 1 137 . 1 1 37 37 GLU H H 1 7.928 0.015 . 1 . . . . 38 GLU H . 6653 1 138 . 1 1 37 37 GLU C C 13 175.133 0.080 . 1 . . . . 38 GLU C . 6653 1 139 . 1 1 37 37 GLU CA C 13 54.046 0.310 . 1 . . . . 38 GLU CA . 6653 1 140 . 1 1 37 37 GLU CB C 13 32.272 0.310 . 1 . . . . 38 GLU CB . 6653 1 141 . 1 1 37 37 GLU N N 15 121.015 0.140 . 1 . . . . 38 GLU N . 6653 1 stop_ save_