data_16461 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The C-terminal domain of the HIV-1 regulatory protein Vpr adopts an antiparallel dimeric structure in solution via its leucine-zipper-like domain ; _BMRB_accession_number 16461 _BMRB_flat_file_name bmr16461.str _Entry_type original _Submission_date 2009-08-19 _Accession_date 2009-08-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bourbigot Sarah . . 2 Beltz Herve . . 3 Denis Jerome . . 4 Morellet Nelly . . 5 Roques Bernard P. . 6 Mely Yves . . 7 Bouaziz Serge . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4257 'VPR chemical shift assignments' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The C-terminal domain of the HIV-1 regulatory protein Vpr adopts an antiparallel dimeric structure in solution via its leucine-zipper-like domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15571493 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bourbigot Sarah . . 2 Beltz Herve . . 3 Denis Jerome . . 4 Morellet Nelly . . 5 Roques Bernard P. . 6 Mely Yves . . 7 Bouaziz Serge . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical Journal' _Journal_volume 387 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 333 _Page_last 341 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name VPR_dimer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Vpr(52-96)1 $Vpr(52-96) Vpr(52-96)2 $Vpr(52-96) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details dimer save_ ######################## # Monomeric polymers # ######################## save_Vpr(52-96) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vpr(52-96) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; DTWTFVEALIRILQQLLFIH FRIGCRHSRIGIIQQRRTRN GASKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 52 ASP 2 53 THR 3 54 TRP 4 55 THR 5 56 PHE 6 57 VAL 7 58 GLU 8 59 ALA 9 60 LEU 10 61 ILE 11 62 ARG 12 63 ILE 13 64 LEU 14 65 GLN 15 66 GLN 16 67 LEU 17 68 LEU 18 69 PHE 19 70 ILE 20 71 HIS 21 72 PHE 22 73 ARG 23 74 ILE 24 75 GLY 25 76 CYS 26 77 ARG 27 78 HIS 28 79 SER 29 80 ARG 30 81 ILE 31 82 GLY 32 83 ILE 33 84 ILE 34 85 GLN 35 86 GLN 36 87 ARG 37 88 ARG 38 89 THR 39 90 ARG 40 91 ASN 41 92 GLY 42 93 ALA 43 94 SER 44 95 LYS 45 96 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4257 Vpr_HIV-1_(LAI) 100.00 45 97.78 97.78 3.93e-21 PDB 1ESX "1h, 15n And 13c Structure Of The Hiv-1 Regulatory Protein Vpr : Comparison With The N-and C-terminal Domain Structure, (1-51)vp" 100.00 96 97.78 97.78 3.99e-21 PDB 1M8L "Nmr Structure Of The Hiv-1 Regulatory Protein Vpr" 100.00 96 97.78 97.78 3.99e-21 PDB 1VPC "C-Terminal Domain (52-96) Of The Hiv-1 Regulatory Protein Vpr, Nmr, 1 Structure" 100.00 45 97.78 97.78 3.93e-21 PDB 1X9V "Dimeric Structure Of The C-Terminal Domain Of Vpr" 100.00 45 97.78 97.78 3.93e-21 GB AAA81039 "VPR protein [Human immunodeficiency virus 1]" 100.00 96 97.78 97.78 3.99e-21 SP Q73369 "RecName: Full=Protein Vpr; AltName: Full=R ORF protein; AltName: Full=Viral protein R" 100.00 96 97.78 97.78 3.99e-21 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Vpr(52-96) HIV-1 11676 Viruses . Lentivirus HIV-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Vpr(52-96) 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Vpr(52-96) . mM 0.03 2.0 '[U-15% 13C; U-95% 15N]' acetonitrile 30 % . . 'natural abundance' H2O 70 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.84 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'distance geometry' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_InsightII _Saveframe_category software _Name InsightII _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 3.0 . pH pressure 1 . atm stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 308 . K pH 3.0 . pH pressure 1 . atm stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 313 . K pH 3.0 . pH pressure 1 . atm stop_ save_