data_16820 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D ; _BMRB_accession_number 16820 _BMRB_flat_file_name bmr16820.str _Entry_type original _Submission_date 2010-04-01 _Accession_date 2010-04-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'further refined with RDC data' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Rossi Paolo . . 3 Wang Dongyan . . 4 Nwosu Chioma . . 5 OWENS LEAH . . 6 Xiao Rong . . 7 Liu Jinfeng . . 8 BARAN MICHAEL C. . 9 SWAPNA G.V.T . . 10 ACTON THOMAS B. . 11 Rost BURKHARD C. . 12 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "residual dipolar couplings" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16091 'NMR chemical shifts' stop_ _Original_release_date 2012-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S8E FROM Methanothermobacter thermautotrophicus, NORTHEASTSTRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET TR71D' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Rossi Paolo . . 3 Montelione Gaetano T. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name S8E _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S8E $S8E 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_S8E _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S8E _Molecular_mass 33088.738 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 294 _Mol_residue_sequence ; GDRRVRLIRTRGGNTKVRLA SDTRINVVDPETGKVEIAEI RNVVENTANPHFVRRNIITR GAVVETNLGNVRVTSRPGQD GVINGVLIRELEHHHHHHGD RRVRLIRTRGGNTKVRLASD TRINVVDPETGKVEIAEIRN VVENTANPHFVRRNIITRGA VVETNLGNVRVTSRPGQDGV INGVLIRELEHHHHHHGDRR VRLIRTRGGNTKVRLASDTR INVVDPETGKVEIAEIRNVV ENTANPHFVRRNIITRGAVV ETNLGNVRVTSRPGQDGVIN GVLIRELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 ARG 4 ARG 5 VAL 6 ARG 7 LEU 8 ILE 9 ARG 10 THR 11 ARG 12 GLY 13 GLY 14 ASN 15 THR 16 LYS 17 VAL 18 ARG 19 LEU 20 ALA 21 SER 22 ASP 23 THR 24 ARG 25 ILE 26 ASN 27 VAL 28 VAL 29 ASP 30 PRO 31 GLU 32 THR 33 GLY 34 LYS 35 VAL 36 GLU 37 ILE 38 ALA 39 GLU 40 ILE 41 ARG 42 ASN 43 VAL 44 VAL 45 GLU 46 ASN 47 THR 48 ALA 49 ASN 50 PRO 51 HIS 52 PHE 53 VAL 54 ARG 55 ARG 56 ASN 57 ILE 58 ILE 59 THR 60 ARG 61 GLY 62 ALA 63 VAL 64 VAL 65 GLU 66 THR 67 ASN 68 LEU 69 GLY 70 ASN 71 VAL 72 ARG 73 VAL 74 THR 75 SER 76 ARG 77 PRO 78 GLY 79 GLN 80 ASP 81 GLY 82 VAL 83 ILE 84 ASN 85 GLY 86 VAL 87 LEU 88 ILE 89 ARG 90 GLU 91 LEU 92 GLU 93 HIS 94 HIS 95 HIS 96 HIS 97 HIS 98 HIS 99 GLY 100 ASP 101 ARG 102 ARG 103 VAL 104 ARG 105 LEU 106 ILE 107 ARG 108 THR 109 ARG 110 GLY 111 GLY 112 ASN 113 THR 114 LYS 115 VAL 116 ARG 117 LEU 118 ALA 119 SER 120 ASP 121 THR 122 ARG 123 ILE 124 ASN 125 VAL 126 VAL 127 ASP 128 PRO 129 GLU 130 THR 131 GLY 132 LYS 133 VAL 134 GLU 135 ILE 136 ALA 137 GLU 138 ILE 139 ARG 140 ASN 141 VAL 142 VAL 143 GLU 144 ASN 145 THR 146 ALA 147 ASN 148 PRO 149 HIS 150 PHE 151 VAL 152 ARG 153 ARG 154 ASN 155 ILE 156 ILE 157 THR 158 ARG 159 GLY 160 ALA 161 VAL 162 VAL 163 GLU 164 THR 165 ASN 166 LEU 167 GLY 168 ASN 169 VAL 170 ARG 171 VAL 172 THR 173 SER 174 ARG 175 PRO 176 GLY 177 GLN 178 ASP 179 GLY 180 VAL 181 ILE 182 ASN 183 GLY 184 VAL 185 LEU 186 ILE 187 ARG 188 GLU 189 LEU 190 GLU 191 HIS 192 HIS 193 HIS 194 HIS 195 HIS 196 HIS 197 GLY 198 ASP 199 ARG 200 ARG 201 VAL 202 ARG 203 LEU 204 ILE 205 ARG 206 THR 207 ARG 208 GLY 209 GLY 210 ASN 211 THR 212 LYS 213 VAL 214 ARG 215 LEU 216 ALA 217 SER 218 ASP 219 THR 220 ARG 221 ILE 222 ASN 223 VAL 224 VAL 225 ASP 226 PRO 227 GLU 228 THR 229 GLY 230 LYS 231 VAL 232 GLU 233 ILE 234 ALA 235 GLU 236 ILE 237 ARG 238 ASN 239 VAL 240 VAL 241 GLU 242 ASN 243 THR 244 ALA 245 ASN 246 PRO 247 HIS 248 PHE 249 VAL 250 ARG 251 ARG 252 ASN 253 ILE 254 ILE 255 THR 256 ARG 257 GLY 258 ALA 259 VAL 260 VAL 261 GLU 262 THR 263 ASN 264 LEU 265 GLY 266 ASN 267 VAL 268 ARG 269 VAL 270 THR 271 SER 272 ARG 273 PRO 274 GLY 275 GLN 276 ASP 277 GLY 278 VAL 279 ILE 280 ASN 281 GLY 282 VAL 283 LEU 284 ILE 285 ARG 286 GLU 287 LEU 288 GLU 289 HIS 290 HIS 291 HIS 292 HIS 293 HIS 294 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 16091 rps8e 100.00 294 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $S8E 'Methanobacterium thermoautotrophicum' 145262 Archaea . Methanobacterium thermoautotrophicum 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 $S8E 'recombinant technology' . Escherichia coli . 'pET 21-23C' 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 $S8E 0.94 mM '[U-100% 13C; U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S8E 1.0 mM '[U-10% 13C; U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'sample_1 dissolved in D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S8E 0.94 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'sample_2 aligned in in Peg/hexanol.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S8E 1.0 mM '[U-10% 13C; U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version . loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis' 'peak picking' refinement stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details nysbc save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model Avance _Field_strength 800 _Details cabm save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_ 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-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_TROSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC_TROSY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 22 ASP H 22 ASP N 2.040 ? ? . . . DHN 23 THR H 23 THR N 2.888 ? ? . . . DHN 24 ARG H 24 ARG N -9.866 ? ? . . . DHN 25 ILE H 25 ILE N 10.464 ? ? . . . DHN 26 ASN H 26 ASN N 9.832 ? ? . . . DHN 27 VAL H 27 VAL N 15.128 ? ? . . . DHN 28 VAL H 28 VAL N 14.162 ? ? . . . DHN 29 ASP H 29 ASP N 6.526 ? ? . . . DHN 31 GLU H 31 GLU N 3.528 ? ? . . . DHN 32 THR H 32 THR N 0.214 ? ? . . . DHN 33 GLY H 33 GLY N 8.454 ? ? . . . DHN 34 LYS H 34 LYS N -16.256 ? ? . . . DHN 36 GLU H 36 GLU N 12.614 ? ? . . . DHN 37 ILE H 37 ILE N 13.892 ? ? . . . DHN 38 ALA H 38 ALA N 12.528 ? ? . . . DHN 39 GLU H 39 GLU N -6.832 ? ? . . . DHN 40 ILE H 40 ILE N -16.380 ? ? . . . DHN 41 ARG H 41 ARG N -15.750 ? ? . . . DHN 43 VAL H 43 VAL N -1.618 ? ? . . . DHN 44 VAL H 44 VAL N 5.778 ? ? . . . DHN 57 ILE H 57 ILE N 2.968 ? ? . . . DHN 61 GLY H 61 GLY N 12.000 ? ? . . . DHN 62 ALA H 62 ALA N -13.448 ? ? . . . DHN 63 VAL H 63 VAL N 8.086 ? ? . . . DHN 64 VAL H 64 VAL N 1.434 ? ? . . . DHN 65 GLU H 65 GLU N -11.116 ? ? . . . DHN 66 THR H 66 THR N -23.106 ? ? . . . DHN 67 ASN H 67 ASN N -14.288 ? ? . . . DHN 68 LEU H 68 LEU N -0.996 ? ? . . . DHN 69 GLY H 69 GLY N -18.298 ? ? . . . DHN 70 ASN H 70 ASN N -19.508 ? ? . . . DHN 71 VAL H 71 VAL N -8.502 ? ? . . . DHN 72 ARG H 72 ARG N -0.666 ? ? . . . DHN 73 VAL H 73 VAL N 8.502 ? ? . . . DHN 74 THR H 74 THR N 13.018 ? ? . . . DHN 75 SER H 75 SER N 12.588 ? ? . . . DHN 80 ASP H 80 ASP N -2.586 ? ? . . . DHN 81 GLY H 81 GLY N 10.312 ? ? . . . DHN 82 VAL H 82 VAL N 6.962 ? ? . . . DHN 83 ILE H 83 ILE N 13.508 ? ? . . . DHN 85 GLY H 85 GLY N 14.646 ? ? . . . DHN 86 VAL H 86 VAL N 11.014 ? ? . . . DHN 87 LEU H 87 LEU N 8.344 ? ? . . . DHN 88 ILE H 88 ILE N 5.838 ? ? . . . DHN 89 ARG H 89 ARG N 10.918 ? ? . . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Text_data_format . _Text_data . save_