data_4738 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4738 _Entry.Title ; Determination by High Field NMR Spectroscopy of the Longitudinal Electron Relaxation Rate in Cu(II)Plastocyanin from Anabaena variablis. ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-06-13 _Entry.Accession_date 2000-06-14 _Entry.Last_release_date 2001-10-17 _Entry.Original_release_date 2001-10-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Lixin Ma . . . 4738 2 Jens Led . J. . 4738 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID 'other_data_list' 3 4738 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 . . 2001-10-17 2000-06-13 original author . 4738 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4738 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Determination by High Field NMR Spectroscopy of the Longitudinal Electron Relaxation Rate in Cu(II)Plastocyanin from Anabaena variablis. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 122 _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 7823 _Citation.Page_last 7824 _Citation.Year 2000 _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 Lixin Ma . . . 4738 1 2 Jens Led . J. . 4738 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_A._v._Plastocyanin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_A._v._Plastocyanin _Assembly.Entry_ID 4738 _Assembly.ID 1 _Assembly.Name 'Cu(II) Plastocyanin from Anabaena variabilis' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic yes _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4738 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 'plastocyanin peptide' 1 $P_peptide . . . native . . . . . 4738 1 2 Cu(II) 2 $entity_CU . . . native . . . . . 4738 1 3 Cu(I) 3 $entity_CU1 . . . native . . . . . 4738 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Cu(II) Plastocyanin from Anabaena variabilis' system 4738 1 'A. v. PCu(II)' abbreviation 4738 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P_peptide _Entity.Sf_category entity _Entity.Sf_framecode P_peptide _Entity.Entry_ID 4738 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Plastocyanin from Anabena variabilis' _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 ; ETYTVKLGSDKGLLVFEPAK LTIKPGDTVEFLNNKVPPHN VVFDAALNPAKSADLAKSLS HKQLLMSPGQSTSTTFPADA PAGEYTFYCEPHRGAGMVGK ITVAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1FA4 . "Elucidation Of The Paramagnetic Relaxation Of Heteronuclei And Protons In Cu(Ii) Plastocyanin From Anabaena Variabilis" . . . . . 100.00 105 100.00 100.00 2.40e-69 . . . . 4738 1 2 no PDB 1NIN . "Plastocyanin From Anabaena Variabilis, Nmr, 20 Structures" . . . . . 100.00 105 100.00 100.00 2.40e-69 . . . . 4738 1 3 no PDB 1TU2 . "The Complex Of Nostoc Cytochrome F And Plastocyanin Determin With Paramagnetic Nmr. Based On The Structures Of Cytochrome F And" . . . . . 100.00 105 100.00 100.00 2.40e-69 . . . . 4738 1 4 no PDB 2CJ3 . "Crystal Structure Of Plastocyanin From A Cyanobacterium, Anabaena Variabilis" . . . . . 100.00 105 100.00 100.00 2.40e-69 . . . . 4738 1 5 no PDB 2GIM . "1.6 Angstrom Structure Of Plastocyanin From Anabaena Variabilis" . . . . . 100.00 106 100.00 100.00 1.99e-69 . . . . 4738 1 6 no DBJ BAB77782 . "plastocyanin precursor [Nostoc sp. PCC 7120]" . . . . . 100.00 139 100.00 100.00 3.86e-70 . . . . 4738 1 7 no EMBL CAA05338 . "plastocyanin [Nostoc sp. PCC 7119]" . . . . . 100.00 139 100.00 100.00 3.86e-70 . . . . 4738 1 8 no EMBL CAA32527 . "unnamed protein product [Anabaena variabilis ATCC 29413]" . . . . . 99.05 139 97.12 99.04 1.11e-67 . . . . 4738 1 9 no GB AAA59364 . "plastocyanin precursor [Anabaena sp.]" . . . . . 100.00 139 100.00 100.00 3.86e-70 . . . . 4738 1 10 no GB ABA22358 . "Blue (type 1) copper domain protein [Anabaena variabilis ATCC 29413]" . . . . . 99.05 139 97.12 99.04 1.11e-67 . . . . 4738 1 11 no PIR CUAI . "plastocyanin - Anabaena variabilis" . . . . . 100.00 105 100.00 100.00 2.40e-69 . . . . 4738 1 12 no PIR S06999 . "plastocyanin precursor - Anabaena sp. (PCC 7937)" . . . . . 99.05 139 97.12 99.04 1.11e-67 . . . . 4738 1 13 no REF WP_010994435 . "plastocyanin [Nostoc sp. PCC 7120]" . . . . . 100.00 139 100.00 100.00 3.86e-70 . . . . 4738 1 14 no SP O52830 . "RecName: Full=Plastocyanin; Flags: Precursor" . . . . . 100.00 139 100.00 100.00 3.86e-70 . . . . 4738 1 15 no SP P0C178 . "RecName: Full=Plastocyanin" . . . . . 100.00 105 100.00 100.00 2.40e-69 . . . . 4738 1 16 no SP P46444 . "RecName: Full=Plastocyanin; Flags: Precursor" . . . . . 100.00 139 100.00 100.00 3.86e-70 . . . . 4738 1 17 no SP Q3M9H8 . "RecName: Full=Plastocyanin; Flags: Precursor" . . . . . 99.05 139 97.12 99.04 1.11e-67 . . . . 4738 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Plastocyanin from Anabena variabilis' common 4738 1 Pcy abbreviation 4738 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 . GLU . 4738 1 2 . THR . 4738 1 3 . TYR . 4738 1 4 . THR . 4738 1 5 . VAL . 4738 1 6 . LYS . 4738 1 7 . LEU . 4738 1 8 . GLY . 4738 1 9 . SER . 4738 1 10 . ASP . 4738 1 11 . LYS . 4738 1 12 . GLY . 4738 1 13 . LEU . 4738 1 14 . LEU . 4738 1 15 . VAL . 4738 1 16 . PHE . 4738 1 17 . GLU . 4738 1 18 . PRO . 4738 1 19 . ALA . 4738 1 20 . LYS . 4738 1 21 . LEU . 4738 1 22 . THR . 4738 1 23 . ILE . 4738 1 24 . LYS . 4738 1 25 . PRO . 4738 1 26 . GLY . 4738 1 27 . ASP . 4738 1 28 . THR . 4738 1 29 . VAL . 4738 1 30 . GLU . 4738 1 31 . PHE . 4738 1 32 . LEU . 4738 1 33 . ASN . 4738 1 34 . ASN . 4738 1 35 . LYS . 4738 1 36 . VAL . 4738 1 37 . PRO . 4738 1 38 . PRO . 4738 1 39 . HIS . 4738 1 40 . ASN . 4738 1 41 . VAL . 4738 1 42 . VAL . 4738 1 43 . PHE . 4738 1 44 . ASP . 4738 1 45 . ALA . 4738 1 46 . ALA . 4738 1 47 . LEU . 4738 1 48 . ASN . 4738 1 49 . PRO . 4738 1 50 . ALA . 4738 1 51 . LYS . 4738 1 52 . SER . 4738 1 53 . ALA . 4738 1 54 . ASP . 4738 1 55 . LEU . 4738 1 56 . ALA . 4738 1 57 . LYS . 4738 1 58 . SER . 4738 1 59 . LEU . 4738 1 60 . SER . 4738 1 61 . HIS . 4738 1 62 . LYS . 4738 1 63 . GLN . 4738 1 64 . LEU . 4738 1 65 . LEU . 4738 1 66 . MET . 4738 1 67 . SER . 4738 1 68 . PRO . 4738 1 69 . GLY . 4738 1 70 . GLN . 4738 1 71 . SER . 4738 1 72 . THR . 4738 1 73 . SER . 4738 1 74 . THR . 4738 1 75 . THR . 4738 1 76 . PHE . 4738 1 77 . PRO . 4738 1 78 . ALA . 4738 1 79 . ASP . 4738 1 80 . ALA . 4738 1 81 . PRO . 4738 1 82 . ALA . 4738 1 83 . GLY . 4738 1 84 . GLU . 4738 1 85 . TYR . 4738 1 86 . THR . 4738 1 87 . PHE . 4738 1 88 . TYR . 4738 1 89 . CYS . 4738 1 90 . GLU . 4738 1 91 . PRO . 4738 1 92 . HIS . 4738 1 93 . ARG . 4738 1 94 . GLY . 4738 1 95 . ALA . 4738 1 96 . GLY . 4738 1 97 . MET . 4738 1 98 . VAL . 4738 1 99 . GLY . 4738 1 100 . LYS . 4738 1 101 . ILE . 4738 1 102 . THR . 4738 1 103 . VAL . 4738 1 104 . ALA . 4738 1 105 . GLY . 4738 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 . GLU 1 1 4738 1 . THR 2 2 4738 1 . TYR 3 3 4738 1 . THR 4 4 4738 1 . VAL 5 5 4738 1 . LYS 6 6 4738 1 . LEU 7 7 4738 1 . GLY 8 8 4738 1 . SER 9 9 4738 1 . ASP 10 10 4738 1 . LYS 11 11 4738 1 . GLY 12 12 4738 1 . LEU 13 13 4738 1 . LEU 14 14 4738 1 . VAL 15 15 4738 1 . PHE 16 16 4738 1 . GLU 17 17 4738 1 . PRO 18 18 4738 1 . ALA 19 19 4738 1 . LYS 20 20 4738 1 . LEU 21 21 4738 1 . THR 22 22 4738 1 . ILE 23 23 4738 1 . LYS 24 24 4738 1 . PRO 25 25 4738 1 . GLY 26 26 4738 1 . ASP 27 27 4738 1 . THR 28 28 4738 1 . VAL 29 29 4738 1 . GLU 30 30 4738 1 . PHE 31 31 4738 1 . LEU 32 32 4738 1 . ASN 33 33 4738 1 . ASN 34 34 4738 1 . LYS 35 35 4738 1 . VAL 36 36 4738 1 . PRO 37 37 4738 1 . PRO 38 38 4738 1 . HIS 39 39 4738 1 . ASN 40 40 4738 1 . VAL 41 41 4738 1 . VAL 42 42 4738 1 . PHE 43 43 4738 1 . ASP 44 44 4738 1 . ALA 45 45 4738 1 . ALA 46 46 4738 1 . LEU 47 47 4738 1 . ASN 48 48 4738 1 . PRO 49 49 4738 1 . ALA 50 50 4738 1 . LYS 51 51 4738 1 . SER 52 52 4738 1 . ALA 53 53 4738 1 . ASP 54 54 4738 1 . LEU 55 55 4738 1 . ALA 56 56 4738 1 . LYS 57 57 4738 1 . SER 58 58 4738 1 . LEU 59 59 4738 1 . SER 60 60 4738 1 . HIS 61 61 4738 1 . LYS 62 62 4738 1 . GLN 63 63 4738 1 . LEU 64 64 4738 1 . LEU 65 65 4738 1 . MET 66 66 4738 1 . SER 67 67 4738 1 . PRO 68 68 4738 1 . GLY 69 69 4738 1 . GLN 70 70 4738 1 . SER 71 71 4738 1 . THR 72 72 4738 1 . SER 73 73 4738 1 . THR 74 74 4738 1 . THR 75 75 4738 1 . PHE 76 76 4738 1 . PRO 77 77 4738 1 . ALA 78 78 4738 1 . ASP 79 79 4738 1 . ALA 80 80 4738 1 . PRO 81 81 4738 1 . ALA 82 82 4738 1 . GLY 83 83 4738 1 . GLU 84 84 4738 1 . TYR 85 85 4738 1 . THR 86 86 4738 1 . PHE 87 87 4738 1 . TYR 88 88 4738 1 . CYS 89 89 4738 1 . GLU 90 90 4738 1 . PRO 91 91 4738 1 . HIS 92 92 4738 1 . ARG 93 93 4738 1 . GLY 94 94 4738 1 . ALA 95 95 4738 1 . GLY 96 96 4738 1 . MET 97 97 4738 1 . VAL 98 98 4738 1 . GLY 99 99 4738 1 . LYS 100 100 4738 1 . ILE 101 101 4738 1 . THR 102 102 4738 1 . VAL 103 103 4738 1 . ALA 104 104 4738 1 . GLY 105 105 4738 1 stop_ save_ save_entity_CU _Entity.Sf_category entity _Entity.Sf_framecode entity_CU _Entity.Entry_ID 4738 _Entity.ID 2 _Entity.BMRB_code CU _Entity.Name 'COPPER (II) ION' _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 CU _Entity.Nonpolymer_comp_label $chem_comp_CU _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 63.546 _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 'COPPER (II) ION' BMRB 4738 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'COPPER (II) ION' BMRB 4738 2 CU 'Three letter code' 4738 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 CU $chem_comp_CU 4738 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CU CU 4738 2 stop_ save_ save_entity_CU1 _Entity.Sf_category entity _Entity.Sf_framecode entity_CU1 _Entity.Entry_ID 4738 _Entity.ID 3 _Entity.BMRB_code CU1 _Entity.Name 'COPPER (I) ION' _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 CU1 _Entity.Nonpolymer_comp_label $chem_comp_CU1 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 63.546 _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 'COPPER (I) ION' BMRB 4738 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'COPPER (I) ION' BMRB 4738 3 CU1 'Three letter code' 4738 3 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 CU1 $chem_comp_CU1 4738 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CU1 CU 4738 3 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 4738 _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 $P_peptide . 1172 organism . 'Anabaena variabilis' 'Anabaena variabilis' . . Bacteria . Anabaena variabilis . . . . . . . . . . . . . . . . . . . . . 4738 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 4738 _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 $P_peptide . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4738 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU _Chem_comp.Entry_ID 4738 _Chem_comp.ID CU _Chem_comp.Provenance PDB _Chem_comp.Name 'COPPER (II) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CU _Chem_comp.PDB_code CU _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CU _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Cu/q+2 _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 Cu _Chem_comp.Formula_weight 63.546 _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 [Cu++] SMILES CACTVS 3.341 4738 CU [Cu++] SMILES_CANONICAL CACTVS 3.341 4738 CU [Cu+2] SMILES ACDLabs 10.04 4738 CU [Cu+2] SMILES 'OpenEye OEToolkits' 1.5.0 4738 CU [Cu+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4738 CU InChI=1S/Cu/q+2 InChI InChI 1.03 4738 CU JPVYNHNXODAKFH-UHFFFAOYSA-N InChIKey InChI 1.03 4738 CU 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 copper(2+) 'SYSTEMATIC NAME' ACDLabs 10.04 4738 CU 'copper(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4738 CU 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 CU CU CU CU . CU . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4738 CU stop_ save_ save_chem_comp_CU1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU1 _Chem_comp.Entry_ID 4738 _Chem_comp.ID CU1 _Chem_comp.Provenance PDB _Chem_comp.Name 'COPPER (I) ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CU1 _Chem_comp.PDB_code CU1 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CU1 _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Cu/q+1 _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _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 [Cu+] SMILES ACDLabs 10.04 4738 CU1 [Cu+] SMILES CACTVS 3.341 4738 CU1 [Cu+] SMILES 'OpenEye OEToolkits' 1.5.0 4738 CU1 [Cu+] SMILES_CANONICAL CACTVS 3.341 4738 CU1 [Cu+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4738 CU1 InChI=1S/Cu/q+1 InChI InChI 1.03 4738 CU1 VMQMZMRVKUZKQL-UHFFFAOYSA-N InChIKey InChI 1.03 4738 CU1 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 copper(1+) 'SYSTEMATIC NAME' ACDLabs 10.04 4738 CU1 'copper(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4738 CU1 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 CU CU CU CU . CU . . N 1 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4738 CU1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4738 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The protein was fully reduced.' _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 'Plastocyanin from Anabena variabilis' . . . 1 $P_peptide . . 2.9 . . mM . . . . 4738 1 2 'COPPER (I) ION' . . . 3 $entity_CU1 . . 2.9 . . mM . . . . 4738 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4738 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The protein was 18% oxidized with an error of 0.8%.' _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 'Plastocyanin from Anabena variabilis' . . . 1 $P_peptide . . 2.9 . . mM . . . . 4738 2 2 'COPPER (I) ION' . . . 3 $entity_CU1 . . 2.38 . . mM . . . . 4738 2 3 'COPPER (II) ION' . . . 2 $entity_CU . . 0.52 . . mM . . . . 4738 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4738 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The protein was 15.5% oxidized with an error of 0.7%.' _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 'Plastocyanin from Anabena variabilis' . . . 1 $P_peptide . . 2.9 . . mM . . . . 4738 3 2 'COPPER (I) ION' . . . 3 $entity_CU1 . . 2.45 . . mM . . . . 4738 3 3 'COPPER (II) ION' . . . 2 $entity_CU . . 0.45 . . mM . . . . 4738 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 4738 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.50 0.02 n/a 4738 1 temperature 298 0.1 K 4738 1 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 4738 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4738 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4738 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 500 . . . 4738 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 4738 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4738 _Experiment_list.ID 1 _Experiment_list.Details 'experiment information not available' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 unknown no . . . . . . . . . . . . isotropic . . 1 $cond_set_1 . . . . . . . . . . . . . . . . . . . . . 4738 1 stop_ save_ save_NMR_spec_expt_dummy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt_dummy _NMR_spec_expt.Entry_ID 4738 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name unknown _NMR_spec_expt.Type unknown _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'experiment information not available' save_ ######################### # Other kinds of data # ######################### save_other_data_types_1 _Other_data_type_list.Sf_category 'other_data_types' _Other_data_type_list.Sf_framecode 'other_data_types_1' _Other_data_type_list.Entry_ID 4738 _Other_data_type_list.ID 1 _Other_data_type_list.Name T1_electron_relaxation _Other_data_type_list.Definition T1_electron_relaxation _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $cond_set_1 _Other_data_type_list.Details . _Other_data_type_list.Text_data_format text _Other_data_type_list.Text_data ; _Spectrometer_frequency_1H 500 _T1_coherence_type Hz _T1_value_units ns _Mol_system_component_name Cu(II) loop_ _T1_electron_relaxation_ID _Residue_seq_code _Residue_label _Atom_name _T1_electron_value _T1_electron_value_error 1 . . CU 0.17 0.01 stop_ ; loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 unknown 1 $sample_one . 4738 1 1 unknown 2 $sample_two . 4738 1 stop_ save_ save_other_data_types_2 _Other_data_type_list.Sf_category 'other_data_types' _Other_data_type_list.Sf_framecode 'other_data_types_2' _Other_data_type_list.Entry_ID 4738 _Other_data_type_list.ID 2 _Other_data_type_list.Name T1_electron_relaxation _Other_data_type_list.Definition T1_electron_relaxation _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $cond_set_1 _Other_data_type_list.Details . _Other_data_type_list.Text_data_format text _Other_data_type_list.Text_data ; _Spectrometer_frequency_1H 750 _T1_coherence_type Hz _T1_value_units ns _Mol_system_component_name Cu(II) loop_ _T1_electron_relaxation_ID _Residue_seq_code _Residue_label _Atom_name _T1_electron_relaxation_value _T1_electron_relaxation_value_error 1 . . CU 0.38 0.06 stop_ ; loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 unknown 1 $sample_one . 4738 2 1 unknown 2 $sample_two . 4738 2 1 unknown 3 $sample_three . 4738 2 stop_ save_ save_other_data_types_3 _Other_data_type_list.Sf_category 'other_data_types' _Other_data_type_list.Sf_framecode 'other_data_types_3' _Other_data_type_list.Entry_ID 4738 _Other_data_type_list.ID 3 _Other_data_type_list.Name T1_paramagnetic_relaxation_ratio _Other_data_type_list.Definition T1_paramagnetic_relaxation_ratio _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $cond_set_1 _Other_data_type_list.Details . _Other_data_type_list.Text_data_format text _Other_data_type_list.Text_data ; The ratio of the nuclear paramagnetic relaxation rates determined at 11.7 Tesla and 17.6 Tesla, R1p(11.7T)/R1p(17.6T) _T1_coherence_type Hz _Mol_system_component_name 'plastocyanin peptide' loop_ _T1_relaxation_ratio_ID _Residue_seq_code _Residue_label _Atom_name _T1_relaxation_ratio_value _T1_relaxation_ratio_value_error 1 2 THR CA 0.67 1.03 2 21 LEU CA 0.32 0.35 3 29 VAL CA 0.91 1.71 4 31 PHE CA 0.61 0.40 5 34 ASN CA 0.72 0.50 6 45 ALA CA 0.53 0.41 7 50 ALA CA 0.80 0.85 8 52 SER CA 0.87 1.54 9 67 SER CA 0.54 0.39 10 103 VAL CA 0.54 0.50 11 14 LEU HD2 1.42 0.37 12 29 VAL HG1 1.36 1.57 13 31 PHE HE 1.30 0.26 14 39 HIS HA 1.61 0.87 15 39 HIS HD 1.35 0.14 16 41 VAL HG1 1.56 0.16 17 41 VAL HG2 1.48 0.10 18 59 LEU HD2 1.72 3.96 19 71 SER HA 1.52 0.47 20 73 SER HA 1.15 0.61 21 76 PHE HD 1.50 0.59 22 87 PHE HD 1.47 0.16 23 87 PHE HE 1.32 0.13 24 87 PHE HZ 0.78 0.08 25 101 ILE HG 0.61 0.71 stop_ ; loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 unknown . . . 4738 3 stop_ save_