data_17216 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17216 _Entry.Title ; How the HIV-1 Nucleocapsid Protein Binds and Destabilises the (-)Primer Binding Site During Reverse Transcription ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-29 _Entry.Accession_date 2010-09-29 _Entry.Last_release_date 2010-11-10 _Entry.Original_release_date 2010-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Sarah Bourbigot . . . 17216 2 Nick Ramalanjaona . . . 17216 3 Christian Boudier . . . 17216 4 Gilmar Salgado . F.J. . 17216 5 Bernard Roques . P. . 17216 6 Yves Mely . . . 17216 7 Serge Bouaziz . . . 17216 8 Nelly Morellet . . . 17216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID chemical_rates 1 17216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'kinetic rates' 4 17216 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 . . 2010-11-10 2010-09-29 original author . 17216 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17216 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18773912 _Citation.Full_citation . _Citation.Title 'How the HIV-1 Nucleocapsid Protein Binds and Destabilises the (-)Primer Binding Site During Reverse Transcription' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 383 _Citation.Journal_issue 5 _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 1112 _Citation.Page_last 1128 _Citation.Year 2008 _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 Sarah Bourbigot . . . 17216 1 2 Nick Ramalanjaona . . . 17216 1 3 Christian Boudier . . . 17216 1 4 Gilmar Salgado . F.J. . 17216 1 5 Bernard Roques . P. . 17216 1 6 Yves Mely . . . 17216 1 7 Serge Bouaziz . . . 17216 1 8 Nelly Morellet . . . 17216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17216 _Assembly.ID 1 _Assembly.Name 'PPBS/NCp7(12-55) exchange' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PPBS 1 $PPBS A . yes native no no . . . 17216 1 2 NCp7(12-55) 2 $NCp7(12-55) B . yes native no no . . . 17216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PPBS _Entity.Sf_category entity _Entity.Sf_framecode PPBS _Entity.Entry_ID 17216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PPBS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GCCCTGTTGGGC _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . DG . 17216 1 2 . DC . 17216 1 3 . DC . 17216 1 4 . DC . 17216 1 5 . DT . 17216 1 6 . DG . 17216 1 7 . DT . 17216 1 8 . DT . 17216 1 9 . DG . 17216 1 10 . DG . 17216 1 11 . DG . 17216 1 12 . DC . 17216 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 . DG 1 1 17216 1 . DC 2 2 17216 1 . DC 3 3 17216 1 . DC 4 4 17216 1 . DT 5 5 17216 1 . DG 6 6 17216 1 . DT 7 7 17216 1 . DT 8 8 17216 1 . DG 9 9 17216 1 . DG 10 10 17216 1 . DG 11 11 17216 1 . DC 12 12 17216 1 stop_ save_ save_NCp7(12-55) _Entity.Sf_category entity _Entity.Sf_framecode NCp7(12-55) _Entity.Entry_ID 17216 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NCp7(12-55) _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 ; NVKCFNCGKEGHTARNCRAP RKKGCWKCGKEGHQMKDCTE RQAN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'N12, V13, ...' _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 2217 . "nucleocapsid protein" . . . . . 88.64 39 100.00 100.00 1.57e-18 . . . . 17216 2 2 no BMRB 25532 . Gag . . . . . 97.73 432 100.00 100.00 6.90e-22 . . . . 17216 2 3 no PDB 1BJ6 . "1h Nmr Of (12-53) Ncp7D(ACGCC) COMPLEX, 10 STRUCTURES" . . . . . 93.18 42 100.00 100.00 5.26e-20 . . . . 17216 2 4 no PDB 1ESK . "Solution Structure Of Ncp7 From Hiv-1" . . . . . 93.18 42 100.00 100.00 5.26e-20 . . . . 17216 2 5 no PDB 1Q3Y . "Nmr Structure Of The Cys28his Mutant (D Form) Of The Nucleocapsid Protein Ncp7 Of Hiv-1." . . . . . 95.45 42 97.62 97.62 1.94e-19 . . . . 17216 2 6 no PDB 1Q3Z . "Nmr Structure Of The Cys28his Mutant (e Form) Of The Nucleocapsid Protein Ncp7 Of Hiv-1" . . . . . 95.45 42 97.62 97.62 1.94e-19 . . . . 17216 2 7 no PDB 2EXF . "Solution Structure Of The Hiv-1 Nucleocapsid (Ncp7(12-55)) Complexed With The Dna (-) Primer Binding Site" . . . . . 100.00 44 100.00 100.00 3.42e-22 . . . . 17216 2 8 no PDB 2JZW . "How The Hiv-1 Nucleocapsid Protein Binds And Destabilises The (-)primer Binding Site During Reverse Transcription" . . . . . 100.00 44 100.00 100.00 3.42e-22 . . . . 17216 2 9 no PDB 2L4L . "Structural Insights Into The Ctar Dna Recognition By The Hiv-1 Nucleocapsid Protein: Role Of Sugar Deoxyriboses In The Binding " . . . . . 100.00 45 100.00 100.00 3.30e-22 . . . . 17216 2 10 no DBJ BAA12988 . "Gag [Human immunodeficiency virus 1]" . . . . . 97.73 512 97.67 97.67 4.54e-21 . . . . 17216 2 11 no DBJ BAA12996 . "Gag [Human immunodeficiency virus 1]" . . . . . 97.73 512 100.00 100.00 1.03e-21 . . . . 17216 2 12 no DBJ BAB85751 . "Gag-pol fusion polyprotein [Human immunodeficiency virus 1]" . . . . . 97.73 1434 97.67 97.67 3.29e-23 . . . . 17216 2 13 no DBJ BAB85752 . "Gag protein [Human immunodeficiency virus 1]" . . . . . 97.73 499 97.67 97.67 5.25e-21 . . . . 17216 2 14 no DBJ BAC02530 . "gag-pol polyprotein [Human immunodeficiency virus 1]" . . . . . 97.73 872 97.67 97.67 4.19e-23 . . . . 17216 2 15 no EMBL CAB58976 . "GAG protein [Human immunodeficiency virus 1]" . . . . . 97.73 491 97.67 97.67 4.29e-21 . . . . 17216 2 16 no EMBL CAB58988 . "GAG protein [Human immunodeficiency virus 1]" . . . . . 97.73 494 97.67 97.67 4.57e-21 . . . . 17216 2 17 no EMBL CAB98186 . "GAG protein [Human immunodeficiency virus 1]" . . . . . 100.00 502 97.73 100.00 2.34e-22 . . . . 17216 2 18 no EMBL CAP69989 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 97.73 491 97.67 97.67 5.26e-21 . . . . 17216 2 19 no EMBL CAP69993 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 97.73 500 97.67 97.67 6.80e-21 . . . . 17216 2 20 no GB AAA44201 . "gag polyprotein precursor [Human immunodeficiency virus 1]" . . . . . 97.73 512 100.00 100.00 1.03e-21 . . . . 17216 2 21 no GB AAA45076 . "gag protein, partial [Human immunodeficiency virus 1]" . . . . . 97.73 495 97.67 97.67 4.80e-21 . . . . 17216 2 22 no GB AAA76686 . "gag [Human immunodeficiency virus 1]" . . . . . 97.73 500 97.67 97.67 5.08e-21 . . . . 17216 2 23 no GB AAB05598 . "gag polyprotein [Human immunodeficiency virus 1]" . . . . . 97.73 498 97.67 97.67 4.52e-21 . . . . 17216 2 24 no GB AAB21888 . "nucleocapsid protein, NCp7, NC71 [human immunodeficiency virus type 1, HIV-1, Peptide Recombinant, 71 aa]" . . . . . 97.73 71 100.00 100.00 1.40e-21 . . . . 17216 2 25 no PIR FOVWLV . "gag polyprotein - human immunodeficiency virus type 1 (isolate LAV-1a)" . . . . . 97.73 500 97.67 97.67 4.36e-21 . . . . 17216 2 26 no PRF 1102247B . "protein gag" . . . . . 97.73 512 100.00 100.00 1.03e-21 . . . . 17216 2 27 no PRF 1103299C . "gag gene" . . . . . 97.73 478 100.00 100.00 1.36e-21 . . . . 17216 2 28 no REF NP_057849 . "Gag-Pol [Human immunodeficiency virus 1]" . . . . . 97.73 1435 100.00 100.00 6.13e-24 . . . . 17216 2 29 no REF NP_057850 . "Pr55(Gag) [Human immunodeficiency virus 1]" . . . . . 97.73 500 100.00 100.00 1.04e-21 . . . . 17216 2 30 no REF NP_579881 . "nucleocapsid [Human immunodeficiency virus 1]" . . . . . 97.73 55 100.00 100.00 1.24e-21 . . . . 17216 2 31 no SP P03347 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 97.73 512 100.00 100.00 1.03e-21 . . . . 17216 2 32 no SP P03348 . "RecName: Full=Gag polyprotein; AltName: Full=Pr55Gag; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: RecName: " . . . . . 97.73 512 97.67 97.67 4.54e-21 . . . . 17216 2 33 no SP P03366 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.73 1447 100.00 100.00 6.46e-24 . . . . 17216 2 34 no SP P03367 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.73 1447 97.67 97.67 2.72e-23 . . . . 17216 2 35 no SP P04585 . "RecName: Full=Gag-Pol polyprotein; AltName: Full=Pr160Gag-Pol; Contains: RecName: Full=Matrix protein p17; Short=MA; Contains: " . . . . . 97.73 1435 100.00 100.00 6.13e-24 . . . . 17216 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 . ASN . 17216 2 2 . VAL . 17216 2 3 . LYS . 17216 2 4 . CYS . 17216 2 5 . PHE . 17216 2 6 . ASN . 17216 2 7 . CYS . 17216 2 8 . GLY . 17216 2 9 . LYS . 17216 2 10 . GLU . 17216 2 11 . GLY . 17216 2 12 . HIS . 17216 2 13 . THR . 17216 2 14 . ALA . 17216 2 15 . ARG . 17216 2 16 . ASN . 17216 2 17 . CYS . 17216 2 18 . ARG . 17216 2 19 . ALA . 17216 2 20 . PRO . 17216 2 21 . ARG . 17216 2 22 . LYS . 17216 2 23 . LYS . 17216 2 24 . GLY . 17216 2 25 . CYS . 17216 2 26 . TRP . 17216 2 27 . LYS . 17216 2 28 . CYS . 17216 2 29 . GLY . 17216 2 30 . LYS . 17216 2 31 . GLU . 17216 2 32 . GLY . 17216 2 33 . HIS . 17216 2 34 . GLN . 17216 2 35 . MET . 17216 2 36 . LYS . 17216 2 37 . ASP . 17216 2 38 . CYS . 17216 2 39 . THR . 17216 2 40 . GLU . 17216 2 41 . ARG . 17216 2 42 . GLN . 17216 2 43 . ALA . 17216 2 44 . ASN . 17216 2 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 . ASN 1 1 17216 2 . VAL 2 2 17216 2 . LYS 3 3 17216 2 . CYS 4 4 17216 2 . PHE 5 5 17216 2 . ASN 6 6 17216 2 . CYS 7 7 17216 2 . GLY 8 8 17216 2 . LYS 9 9 17216 2 . GLU 10 10 17216 2 . GLY 11 11 17216 2 . HIS 12 12 17216 2 . THR 13 13 17216 2 . ALA 14 14 17216 2 . ARG 15 15 17216 2 . ASN 16 16 17216 2 . CYS 17 17 17216 2 . ARG 18 18 17216 2 . ALA 19 19 17216 2 . PRO 20 20 17216 2 . ARG 21 21 17216 2 . LYS 22 22 17216 2 . LYS 23 23 17216 2 . GLY 24 24 17216 2 . CYS 25 25 17216 2 . TRP 26 26 17216 2 . LYS 27 27 17216 2 . CYS 28 28 17216 2 . GLY 29 29 17216 2 . LYS 30 30 17216 2 . GLU 31 31 17216 2 . GLY 32 32 17216 2 . HIS 33 33 17216 2 . GLN 34 34 17216 2 . MET 35 35 17216 2 . LYS 36 36 17216 2 . ASP 37 37 17216 2 . CYS 38 38 17216 2 . THR 39 39 17216 2 . GLU 40 40 17216 2 . ARG 41 41 17216 2 . GLN 42 42 17216 2 . ALA 43 43 17216 2 . ASN 44 44 17216 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 17216 _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 $PPBS . 11676 virus . HIV-1 'Human immunodeficiency virus 1' . 00.061.1.06.009.05.001. . . Lentivirus . . . . . . . . . . . . . . . . . . . . . . 17216 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 17216 _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 $PPBS . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17216 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH was adjusted with NaOH or DCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PPBS 'natural abundance' . . 1 $PPBS . . 1 . . mM . . . . 17216 1 2 NCp7(12-55) 'natural abundance' . . 2 $NCp7(12-55) . . 1 . . mM . . . . 17216 1 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17216 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17216 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH was adjusted with NaOH or DCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PPBS 'natural abundance' . . 1 $PPBS . . 1 . . mM . . . . 17216 2 2 NCp7(12-55) 'natural abundance' . . 2 $NCp7(12-55) . . 1 . . mM . . . . 17216 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17216 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17216 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17216 _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 6.5 . pH 17216 1 pressure ambient . atm 17216 1 temperature 293 . K 17216 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17216 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17216 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17216 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17216 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17216 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17216 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17216 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17216 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 17216 _Experiment_list.ID 1 _Experiment_list.Details 'mixing times of 0, 10 20, 30, 40, 50, 75, 100, 125, 150, 175, and 200ms' 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 EXSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17216 1 2 '2D EXSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17216 1 stop_ save_ save_Chemical_rate_list _Chemical_rate_list.Sf_category chemical_rates _Chemical_rate_list.Sf_framecode Chemical_rate_list _Chemical_rate_list.Entry_ID 17216 _Chemical_rate_list.ID 1 _Chemical_rate_list.Sample_condition_list_ID 1 _Chemical_rate_list.Sample_condition_list_label $sample_conditions_1 _Chemical_rate_list.Details . _Chemical_rate_list.Text_data_format . _Chemical_rate_list.Text_data . loop_ _Chemical_rate_experiment.Experiment_ID _Chemical_rate_experiment.Experiment_name _Chemical_rate_experiment.Sample_ID _Chemical_rate_experiment.Sample_label _Chemical_rate_experiment.Sample_state _Chemical_rate_experiment.Entry_ID _Chemical_rate_experiment.Chemical_rate_list_ID 1 '2D EXSY' 1 $sample_1 isotropic 17216 1 2 '2D EXSY' 2 $sample_2 isotropic 17216 1 stop_ loop_ _Chemical_rate_software.Software_ID _Chemical_rate_software.Software_label _Chemical_rate_software.Method_ID _Chemical_rate_software.Method_label _Chemical_rate_software.Entry_ID _Chemical_rate_software.Chemical_rate_list_ID 1 $xwinnmr . . 17216 1 2 $Felix . . 17216 1 stop_ loop_ _Chemical_rate.ID _Chemical_rate.Assembly_ID _Chemical_rate.Assembly_atom_ID _Chemical_rate.Entity_assembly_ID _Chemical_rate.Entity_ID _Chemical_rate.Comp_index_ID _Chemical_rate.Seq_ID _Chemical_rate.Comp_ID _Chemical_rate.Atom_ID _Chemical_rate.Atom_type _Chemical_rate.Atom_isotope_number _Chemical_rate.Val_type _Chemical_rate.Val _Chemical_rate.Val_min _Chemical_rate.Val_max _Chemical_rate.Val_err _Chemical_rate.Val_units _Chemical_rate.Resonance_ID _Chemical_rate.Auth_entity_assembly_ID _Chemical_rate.Auth_seq_ID _Chemical_rate.Auth_comp_ID _Chemical_rate.Auth_atom_ID _Chemical_rate.Entry_ID _Chemical_rate.Chemical_rate_list_ID 1 1 . 1 1 . . . . . . kij 3.0 . . 0.3 s-1 . . . . . 17216 1 2 1 . 1 1 . . . . . . kji 2.9 . . 0.3 s-1 . . . . . 17216 1 3 1 . 1 1 . . . . . . kex 5.9 . . 0.8 s-1 . . . . . 17216 1 4 1 . 1 1 . . . . . . kcomplex 345 . . 35 ms . . . . . 17216 1 stop_ save_