data_17664 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HVS ORF57 103-120 backbone assignment ; _BMRB_accession_number 17664 _BMRB_flat_file_name bmr17664.str _Entry_type original _Submission_date 2011-05-25 _Accession_date 2011-05-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The file contains assignments for ORF57 103-120 free form at 303k' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard B. . 2 Hautbergue Guillaume M. . 3 Wilson Stuart A. . 4 Golovanov Alexander P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 102 "13C chemical shifts" 85 "15N chemical shifts" 23 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-01 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17663 'ORF57 56-140' stop_ _Original_release_date 2011-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the recognition of cellular mRNA export factor REF by herpes viral proteins HSV-1 ICP27 and HVS ORF57.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21253573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard B. . 2 Hautbergue Guillaume M. . 3 Kalra Priti . . 4 Jackson Brian R. . 5 Whitehouse Adrian . . 6 Wilson Stuart A. . 7 Golovanov Alexander P. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_name_full 'PLoS pathogens' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2011 _Details . loop_ _Keyword Herpes RNA stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ORF57 103-120' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ORF57 103-120' $HVS_ORF57 stop_ _System_molecular_weight 2502.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HVS_ORF57 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HVS_ORF57 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'mRNA export' multifunctional stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; GPLGSSCKTSWADRVREAAA QRR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 98 GLY 2 99 PRO 3 100 LEU 4 101 GLY 5 102 SER 6 103 SER 7 104 CYS 8 105 LYS 9 106 THR 10 107 SER 11 108 TRP 12 109 ALA 13 110 ASP 14 111 ARG 15 112 VAL 16 113 ARG 17 114 GLU 18 115 ALA 19 116 ALA 20 117 ALA 21 118 GLN 22 119 ARG 23 120 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 16698 ORF57_8-120 78.26 135 100.00 100.00 1.66e-02 BMRB 17663 HVS_ORF57 78.26 107 100.00 100.00 1.23e-02 PDB 2YKA "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" 95.65 23 100.00 100.00 1.75e-05 EMBL CAA45680 "unnamed protein product [Saimiriine herpesvirus 2]" 78.26 417 100.00 100.00 1.96e-02 EMBL CAC84353 "hypothetical protein [Saimiriine herpesvirus 2]" 78.26 427 100.00 100.00 2.14e-02 EMBL CAC84354 "hypothetical protein [Saimiriine herpesvirus 2]" 78.26 385 100.00 100.00 2.66e-02 GB AAA46125 "transactivator, partial [Saimiriine herpesvirus 2]" 78.26 412 100.00 100.00 2.18e-02 GB AAA66558 "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" 78.26 384 100.00 100.00 2.56e-02 PIR WMBEHA "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" 78.26 417 100.00 100.00 1.96e-02 REF NP_040259 "unnamed protein product [Saimiriine herpesvirus 2]" 78.26 417 100.00 100.00 1.96e-02 SP P13199 "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " 78.26 417 100.00 100.00 1.96e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HVS_ORF57 'Herpesvirus saimiri' 00.031.3.02.014 10381 Viruses . Herpesvirus saimiri 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 $HVS_ORF57 'recombinant technology' . Escherichia coli 'BL21 DE3 RP' pGEX-6P-1 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 _Isotopic_labeling $HVS_ORF57 1.0 mM '[U-95% 13C; U-95% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.05 . M pH 6.2 0.05 pH pressure 1 . atm temperature 303 0.1 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 protons ppm 0 internal indirect . . . 0.251449530 DSS H 1 protons ppm 0 internal direct . . . 1 DSS N 15 protons ppm 0 internal 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' '2D 1H-13C HSQC' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCO' '3D 1H-13C NOESY' 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 'ORF57 103-120' _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 98 1 GLY HA2 H 4.018 0.020 2 2 98 1 GLY CA C 43.321 0.100 1 3 99 2 PRO HA H 4.503 0.020 1 4 99 2 PRO HB2 H 1.985 0.020 2 5 99 2 PRO HB3 H 2.346 0.020 2 6 99 2 PRO HG2 H 2.047 0.020 2 7 99 2 PRO HD2 H 3.603 0.020 2 8 99 2 PRO C C 177.018 0.100 1 9 99 2 PRO CA C 63.189 0.100 1 10 99 2 PRO CB C 32.291 0.100 1 11 99 2 PRO CG C 27.040 0.100 1 12 99 2 PRO CD C 49.631 0.100 1 13 100 3 LEU H H 8.544 0.020 1 14 100 3 LEU HA H 4.392 0.020 1 15 100 3 LEU HB2 H 1.658 0.020 2 16 100 3 LEU HB3 H 1.705 0.020 2 17 100 3 LEU HG H 1.606 0.020 1 18 100 3 LEU HD1 H 0.930 0.020 2 19 100 3 LEU HD2 H 0.971 0.020 2 20 100 3 LEU C C 178.012 0.100 1 21 100 3 LEU CA C 55.392 0.100 1 22 100 3 LEU CB C 42.326 0.100 1 23 100 3 LEU CG C 27.272 0.100 1 24 100 3 LEU CD1 C 23.509 0.100 1 25 100 3 LEU CD2 C 24.864 0.100 1 26 100 3 LEU N N 122.359 0.100 1 27 101 4 GLY H H 8.433 0.020 1 28 101 4 GLY HA2 H 4.025 0.020 2 29 101 4 GLY C C 174.326 0.100 1 30 101 4 GLY CA C 45.453 0.100 1 31 101 4 GLY N N 109.846 0.100 1 32 102 5 SER H H 8.263 0.020 1 33 102 5 SER HA H 4.523 0.020 1 34 102 5 SER HB2 H 3.910 0.020 2 35 102 5 SER C C 174.800 0.100 1 36 102 5 SER CA C 58.396 0.100 1 37 102 5 SER CB C 63.982 0.100 1 38 102 5 SER N N 115.540 0.100 1 39 103 6 SER H H 8.459 0.020 1 40 103 6 SER HA H 4.538 0.020 1 41 103 6 SER HB2 H 3.943 0.020 2 42 103 6 SER C C 174.418 0.100 1 43 103 6 SER CA C 58.568 0.100 1 44 103 6 SER CB C 63.935 0.100 1 45 103 6 SER N N 117.617 0.100 1 46 104 7 CYS H H 8.362 0.020 1 47 104 7 CYS HA H 4.546 0.020 1 48 104 7 CYS HB2 H 2.963 0.020 2 49 104 7 CYS C C 174.581 0.100 1 50 104 7 CYS CA C 58.443 0.100 1 51 104 7 CYS CB C 27.847 0.100 1 52 104 7 CYS N N 120.919 0.100 1 53 105 8 LYS H H 8.461 0.020 1 54 105 8 LYS HA H 4.382 0.020 1 55 105 8 LYS HB2 H 1.776 0.020 2 56 105 8 LYS HB3 H 1.888 0.020 2 57 105 8 LYS HG2 H 1.425 0.020 2 58 105 8 LYS HG3 H 1.475 0.020 2 59 105 8 LYS HD2 H 1.686 0.020 2 60 105 8 LYS HE2 H 3.002 0.020 2 61 105 8 LYS C C 176.709 0.100 1 62 105 8 LYS CA C 56.315 0.100 1 63 105 8 LYS CB C 32.842 0.100 1 64 105 8 LYS CG C 24.818 0.100 1 65 105 8 LYS CD C 29.005 0.100 1 66 105 8 LYS CE C 42.144 0.100 1 67 105 8 LYS N N 123.900 0.100 1 68 106 9 THR H H 8.125 0.020 1 69 106 9 THR HA H 4.350 0.020 1 70 106 9 THR HB H 4.162 0.020 1 71 106 9 THR HG2 H 1.159 0.020 1 72 106 9 THR C C 174.574 0.100 1 73 106 9 THR CA C 62.035 0.100 1 74 106 9 THR CB C 69.808 0.100 1 75 106 9 THR CG2 C 21.686 0.100 1 76 106 9 THR N N 114.986 0.100 1 77 107 10 SER H H 8.468 0.020 1 78 107 10 SER HA H 4.507 0.020 1 79 107 10 SER HB2 H 3.926 0.020 2 80 107 10 SER C C 174.767 0.100 1 81 107 10 SER CA C 58.318 0.100 1 82 107 10 SER CB C 63.779 0.100 1 83 107 10 SER N N 118.603 0.100 1 84 108 11 TRP H H 8.387 0.020 1 85 108 11 TRP HA H 4.555 0.020 1 86 108 11 TRP HB2 H 3.340 0.020 2 87 108 11 TRP HD1 H 7.289 0.020 1 88 108 11 TRP HE1 H 10.172 0.020 1 89 108 11 TRP HE3 H 7.623 0.020 1 90 108 11 TRP HZ2 H 7.521 0.020 1 91 108 11 TRP HZ3 H 7.174 0.020 1 92 108 11 TRP HH2 H 7.259 0.020 1 93 108 11 TRP C C 176.618 0.100 1 94 108 11 TRP CB C 29.150 0.100 1 95 108 11 TRP CD1 C 125.956 0.100 1 96 108 11 TRP CE3 C 121.549 0.100 1 97 108 11 TRP CZ2 C 114.904 0.100 1 98 108 11 TRP CZ3 C 120.440 0.100 1 99 108 11 TRP CH2 C 124.790 0.100 1 100 108 11 TRP N N 123.591 0.100 1 101 108 11 TRP NE1 N 129.357 0.100 1 102 109 12 ALA H H 8.087 0.020 1 103 109 12 ALA HA H 4.078 0.020 1 104 109 12 ALA HB H 1.302 0.020 1 105 109 12 ALA C C 178.304 0.100 1 106 109 12 ALA CA C 53.640 0.100 1 107 109 12 ALA CB C 18.728 0.100 1 108 109 12 ALA N N 122.908 0.100 1 109 110 13 ASP H H 7.978 0.020 1 110 110 13 ASP HA H 4.507 0.020 1 111 110 13 ASP HB2 H 2.699 0.020 2 112 110 13 ASP C C 176.818 0.100 1 113 110 13 ASP CA C 55.149 0.100 1 114 110 13 ASP CB C 40.973 0.100 1 115 110 13 ASP N N 118.118 0.100 1 116 111 14 ARG H H 7.984 0.020 1 117 111 14 ARG HA H 4.227 0.020 1 118 111 14 ARG HB2 H 1.830 0.020 2 119 111 14 ARG HG2 H 1.620 0.020 2 120 111 14 ARG HD2 H 3.097 0.020 2 121 111 14 ARG C C 177.381 0.100 1 122 111 14 ARG CA C 57.410 0.100 1 123 111 14 ARG CB C 30.464 0.100 1 124 111 14 ARG CG C 27.209 0.100 1 125 111 14 ARG N N 120.478 0.100 1 126 112 15 VAL H H 8.017 0.020 1 127 112 15 VAL HA H 3.924 0.020 1 128 112 15 VAL HB H 2.039 0.020 1 129 112 15 VAL HG1 H 0.868 0.020 2 130 112 15 VAL HG2 H 0.906 0.020 2 131 112 15 VAL C C 177.033 0.100 1 132 112 15 VAL CA C 63.951 0.100 1 133 112 15 VAL CB C 32.270 0.100 1 134 112 15 VAL CG1 C 21.091 0.100 1 135 112 15 VAL CG2 C 21.044 0.100 1 136 112 15 VAL N N 120.220 0.100 1 137 113 16 ARG H H 8.095 0.020 1 138 113 16 ARG HA H 4.243 0.020 1 139 113 16 ARG HB2 H 1.852 0.020 2 140 113 16 ARG HB3 H 1.922 0.020 2 141 113 16 ARG HG2 H 1.649 0.020 2 142 113 16 ARG C C 177.191 0.100 1 143 113 16 ARG CA C 57.457 0.100 1 144 113 16 ARG CB C 30.574 0.100 1 145 113 16 ARG CG C 26.943 0.100 1 146 113 16 ARG N N 123.140 0.100 1 147 114 17 GLU H H 8.300 0.020 1 148 114 17 GLU HA H 4.206 0.020 1 149 114 17 GLU HB2 H 2.011 0.020 2 150 114 17 GLU HB3 H 2.070 0.020 2 151 114 17 GLU HG2 H 2.293 0.020 2 152 114 17 GLU C C 176.968 0.100 1 153 114 17 GLU CA C 57.535 0.100 1 154 114 17 GLU CB C 30.245 0.100 1 155 114 17 GLU CG C 36.223 0.100 1 156 114 17 GLU N N 121.128 0.100 1 157 115 18 ALA H H 8.173 0.020 1 158 115 18 ALA HA H 4.263 0.020 1 159 115 18 ALA HB H 1.432 0.020 1 160 115 18 ALA C C 178.285 0.100 1 161 115 18 ALA CA C 53.029 0.100 1 162 115 18 ALA CB C 18.775 0.100 1 163 115 18 ALA N N 123.879 0.100 1 164 116 19 ALA H H 8.081 0.020 1 165 116 19 ALA HA H 4.271 0.020 1 166 116 19 ALA HB H 1.434 0.020 1 167 116 19 ALA C C 178.004 0.100 1 168 116 19 ALA CA C 53.248 0.100 1 169 116 19 ALA CB C 18.978 0.100 1 170 116 19 ALA N N 121.929 0.100 1 171 117 20 ALA H H 8.015 0.020 1 172 117 20 ALA HA H 4.289 0.020 1 173 117 20 ALA HB H 1.442 0.020 1 174 117 20 ALA C C 177.866 0.100 1 175 117 20 ALA CA C 52.794 0.100 1 176 117 20 ALA CB C 18.869 0.100 1 177 117 20 ALA N N 121.880 0.100 1 178 118 21 GLN H H 8.092 0.020 1 179 118 21 GLN HA H 4.329 0.020 1 180 118 21 GLN HB2 H 2.025 0.020 2 181 118 21 GLN HB3 H 2.142 0.020 2 182 118 21 GLN HG2 H 2.418 0.020 2 183 118 21 GLN HE21 H 7.561 0.020 2 184 118 21 GLN HE22 H 6.879 0.020 2 185 118 21 GLN C C 175.803 0.100 1 186 118 21 GLN CA C 55.865 0.100 1 187 118 21 GLN CB C 29.253 0.100 1 188 118 21 GLN CG C 33.785 0.100 1 189 118 21 GLN N N 118.435 0.100 1 190 118 21 GLN NE2 N 112.388 0.100 1 191 119 22 ARG H H 8.216 0.020 1 192 119 22 ARG HA H 4.377 0.020 1 193 119 22 ARG HB2 H 1.808 0.020 2 194 119 22 ARG HB3 H 1.925 0.020 2 195 119 22 ARG HG2 H 1.678 0.020 2 196 119 22 ARG HD2 H 3.216 0.020 2 197 119 22 ARG C C 175.266 0.100 1 198 119 22 ARG CA C 56.523 0.100 1 199 119 22 ARG CB C 30.769 0.100 1 200 119 22 ARG CG C 27.178 0.100 1 201 119 22 ARG N N 122.481 0.100 1 202 120 23 ARG H H 8.011 0.020 1 203 120 23 ARG HA H 4.218 0.020 1 204 120 23 ARG HB2 H 1.735 0.020 2 205 120 23 ARG HB3 H 1.874 0.020 2 206 120 23 ARG HG2 H 1.623 0.020 2 207 120 23 ARG HD2 H 3.205 0.020 2 208 120 23 ARG CA C 57.191 0.100 1 209 120 23 ARG CB C 31.613 0.100 1 210 120 23 ARG N N 127.811 0.100 1 stop_ save_