data_17985 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of BST-2/Tetherin Transmembrane Domain ; _BMRB_accession_number 17985 _BMRB_flat_file_name bmr17985.str _Entry_type original _Submission_date 2011-10-07 _Accession_date 2011-10-07 _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 Skasko Mark . . 2 Wang Yan . . 3 Tian Ye . . 4 Tokarev Andrey . . 5 Munguia Jason . . 6 Ruiz Autumn . . 7 Stephens Edward . . 8 Opella Stanley . . 9 Guatelli John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 23 "13C chemical shifts" 24 "15N chemical shifts" 23 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-14 update BMRB 'update entry citation' 2011-12-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'HIV-1 Vpu protein antagonizes innate restriction factor BST-2 via lipid-embedded helix-helix interactions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22072710 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Skasko Mark . . 2 Wang Yan . . 3 Tian Ye . . 4 Tokarev Andrey . . 5 Munguia Jason . . 6 Ruiz Autumn . . 7 Stephens Edward B. . 8 Opella Stanley J. . 9 Guatelli John . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 58 _Page_last 67 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BST-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BST-2 $BST-2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BST-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BST-2 _Molecular_mass 2529.350 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; LLLGIGILVLLIIVILGVPL IIFT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 LEU 2 23 LEU 3 24 LEU 4 25 GLY 5 26 ILE 6 27 GLY 7 28 ILE 8 29 LEU 9 30 VAL 10 31 LEU 11 32 LEU 12 33 ILE 13 34 ILE 14 35 VAL 15 36 ILE 16 37 LEU 17 38 GLY 18 39 VAL 19 40 PRO 20 41 LEU 21 42 ILE 22 43 ILE 23 44 PHE 24 45 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 PDB 2LK9 "Structure Of Bst-2TETHERIN TRANSMEMBRANE DOMAIN" 100.00 35 100.00 100.00 4.82e-03 DBJ BAA05679 "BST-2 [Homo sapiens]" 100.00 180 100.00 100.00 3.23e-05 DBJ BAD96844 "bone marrow stromal cell antigen 2 variant [Homo sapiens]" 100.00 180 100.00 100.00 3.19e-05 DBJ BAF83788 "unnamed protein product [Homo sapiens]" 100.00 180 100.00 100.00 3.23e-05 DBJ BAG64608 "unnamed protein product [Homo sapiens]" 100.00 216 100.00 100.00 1.12e-05 GB AAH33873 "Bone marrow stromal cell antigen 2 [Homo sapiens]" 100.00 180 100.00 100.00 3.23e-05 GB ACX46128 "tetherin [Gorilla gorilla]" 100.00 185 100.00 100.00 7.91e-05 GB ADI58594 "bone marrow stromal cell antigen 2 [Gorilla gorilla]" 100.00 185 100.00 100.00 4.48e-05 GB ADI58595 "bone marrow stromal cell antigen 2 [Pan paniscus]" 100.00 185 100.00 100.00 3.13e-05 GB EAW84602 "bone marrow stromal cell antigen 2, isoform CRA_a [Homo sapiens]" 100.00 180 100.00 100.00 3.23e-05 REF NP_001266147 "bone marrow stromal cell antigen 2 [Pan paniscus]" 100.00 185 100.00 100.00 3.13e-05 REF NP_001266560 "bone marrow stromal cell antigen 2 [Gorilla gorilla]" 100.00 185 100.00 100.00 4.48e-05 REF NP_004326 "bone marrow stromal antigen 2 precursor [Homo sapiens]" 100.00 180 100.00 100.00 3.23e-05 SP Q10589 "RecName: Full=Bone marrow stromal antigen 2; Short=BST-2; AltName: Full=HM1.24 antigen; AltName: Full=Tetherin; AltName: CD_ant" 100.00 180 100.00 100.00 3.23e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BST-2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $BST-2 'recombinant technology' . Escherichia coli . pET31b(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BST-2 0.5 mM '[U-100% 15N]' H2O 90 % '[U-100% 15N]' D2O 10 % '[U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' 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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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 'ionic strength' 0 . M pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BST-2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 22 1 LEU H H 7.9425 0.03 1 2 22 1 LEU CA C 58.1115 0.40 1 3 22 1 LEU N N 119.5790 0.65 1 4 23 2 LEU H H 7.6767 0.03 1 5 23 2 LEU CA C 57.9927 0.40 1 6 23 2 LEU N N 117.8176 0.65 1 7 24 3 LEU H H 7.8203 0.03 1 8 24 3 LEU CA C 58.1169 0.40 1 9 24 3 LEU N N 118.5215 0.65 1 10 25 4 GLY H H 8.2744 0.03 1 11 25 4 GLY CA C 47.7182 0.40 1 12 25 4 GLY N N 105.4266 0.65 1 13 26 5 ILE H H 8.2801 0.03 1 14 26 5 ILE CA C 64.9326 0.40 1 15 26 5 ILE N N 120.3150 0.65 1 16 27 6 GLY H H 8.4490 0.03 1 17 27 6 GLY CA C 47.9171 0.40 1 18 27 6 GLY N N 107.5211 0.65 1 19 28 7 ILE H H 8.3370 0.03 1 20 28 7 ILE CA C 65.0005 0.40 1 21 28 7 ILE N N 120.3418 0.65 1 22 29 8 LEU H H 7.9359 0.03 1 23 29 8 LEU CA C 58.6553 0.40 1 24 29 8 LEU N N 120.1983 0.65 1 25 30 9 VAL H H 8.4036 0.03 1 26 30 9 VAL CA C 67.4653 0.40 1 27 30 9 VAL N N 117.2719 0.65 1 28 31 10 LEU H H 8.0632 0.03 1 29 31 10 LEU CA C 58.5943 0.40 1 30 31 10 LEU N N 119.2678 0.65 1 31 32 11 LEU H H 8.4211 0.03 1 32 32 11 LEU CA C 58.5005 0.40 1 33 32 11 LEU N N 117.4403 0.65 1 34 33 12 ILE H H 8.1423 0.03 1 35 33 12 ILE CA C 65.7732 0.40 1 36 33 12 ILE N N 118.3843 0.65 1 37 34 13 ILE H H 8.1576 0.03 1 38 34 13 ILE CA C 65.8263 0.40 1 39 34 13 ILE N N 118.8722 0.65 1 40 35 14 VAL H H 8.1085 0.03 1 41 35 14 VAL CA C 67.3087 0.40 1 42 35 14 VAL N N 117.8714 0.65 1 43 36 15 ILE H H 8.2653 0.03 1 44 36 15 ILE CA C 64.9404 0.40 1 45 36 15 ILE N N 116.7511 0.65 1 46 37 16 LEU H H 7.8341 0.03 1 47 37 16 LEU CA C 55.9835 0.40 1 48 37 16 LEU N N 113.1533 0.65 1 49 38 17 GLY H H 8.2103 0.03 1 50 38 17 GLY CA C 47.4450 0.40 1 51 38 17 GLY N N 105.9460 0.65 1 52 39 18 VAL H H 8.1740 0.03 1 53 39 18 VAL CA C 69.3736 0.40 1 54 39 18 VAL N N 119.0833 0.65 1 55 40 19 PRO CA C 66.3528 0.40 1 56 41 20 LEU H H 7.2609 0.03 1 57 41 20 LEU CA C 58.5524 0.40 1 58 41 20 LEU N N 115.7496 0.65 1 59 42 21 ILE H H 8.4425 0.03 1 60 42 21 ILE CA C 65.6687 0.40 1 61 42 21 ILE N N 121.9650 0.65 1 62 43 22 ILE H H 8.1458 0.03 1 63 43 22 ILE CA C 65.6492 0.40 1 64 43 22 ILE N N 119.3650 0.65 1 65 44 23 PHE H H 8.5258 0.03 1 66 44 23 PHE CA C 61.4274 0.40 1 67 44 23 PHE N N 118.4575 0.65 1 68 45 24 THR H H 7.9912 0.03 1 69 45 24 THR CA C 67.1959 0.40 1 70 45 24 THR N N 114.3076 0.65 1 stop_ save_