data_27629 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1HN,15N,13CO,13CA and 13CB Chemical Shift Assignments for the FBP21(326-276) Fragment ; _BMRB_accession_number 27629 _BMRB_flat_file_name bmr27629.str _Entry_type original _Submission_date 2018-09-26 _Accession_date 2018-09-26 _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 Sticht Jana . . 2 Freund Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 47 "13C chemical shifts" 138 "15N chemical shifts" 47 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-15 update BMRB 'update entry citation' 2018-10-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27630 'FBP21(326-276) Fragment in Complex with the Brr2-CSec63 domain' stop_ _Original_release_date 2018-09-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; FBP21's C-Terminal Domain Remains Dynamic When Wrapped around the c-Sec63 Unit of Brr2 Helicase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30558886 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sticht Jana . . 2 Bertazzon Miriam . . 3 Henning Lisa M. . 4 Licha Jan R. . 5 Abualrous Esam T. . 6 Freund Christian . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 116 _Journal_issue 3 _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 406 _Page_last 418 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FBP21(326-376) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FBP21(326-376) $FBP21(326-376) 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_FBP21(326-376) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FBP21(326-376) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; GAMEADGGGEPKVVFKEKTV TSLGVMADGVAPVFKKRRTE NGKSRNLRQRGDDQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 323 GLY 2 324 ALA 3 325 MET 4 326 GLU 5 327 ALA 6 328 ASP 7 329 GLY 8 330 GLY 9 331 GLY 10 332 GLU 11 333 PRO 12 334 LYS 13 335 VAL 14 336 VAL 15 337 PHE 16 338 LYS 17 339 GLU 18 340 LYS 19 341 THR 20 342 VAL 21 343 THR 22 344 SER 23 345 LEU 24 346 GLY 25 347 VAL 26 348 MET 27 349 ALA 28 350 ASP 29 351 GLY 30 352 VAL 31 353 ALA 32 354 PRO 33 355 VAL 34 356 PHE 35 357 LYS 36 358 LYS 37 359 ARG 38 360 ARG 39 361 THR 40 362 GLU 41 363 ASN 42 364 GLY 43 365 LYS 44 366 SER 45 367 ARG 46 368 ASN 47 369 LEU 48 370 ARG 49 371 GLN 50 372 ARG 51 373 GLY 52 374 ASP 53 375 ASP 54 376 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FBP21(326-376) 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 $FBP21(326-376) 'recombinant technology' . Escherichia coli . pETM11 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 $FBP21(326-376) 140 uM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNMR_Analysis _Saveframe_category software _Name CcpNMR_Analysis _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'triple resonance cryo-probe' 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_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 300 . 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '3D HNCO' '3D HNCACB' '3D HN(CA)CO' 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 FBP21(326-376) _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 1 324 2 ALA C C 177.987 0.050 1 2 324 2 ALA CA C 52.290 0.005 1 3 325 3 MET H H 8.514 0.003 1 4 325 3 MET C C 176.426 0.014 1 5 325 3 MET CA C 55.254 0.076 1 6 325 3 MET N N 119.164 0.025 1 7 326 4 GLU H H 8.443 0.002 1 8 326 4 GLU C C 176.447 0.010 1 9 326 4 GLU CA C 56.225 0.035 1 10 326 4 GLU CB C 29.533 0.039 1 11 326 4 GLU N N 122.143 0.019 1 12 327 5 ALA H H 8.350 0.001 1 13 327 5 ALA C C 177.615 0.003 1 14 327 5 ALA CA C 52.182 0.065 1 15 327 5 ALA CB C 18.679 0.039 1 16 327 5 ALA N N 124.646 0.025 1 17 328 6 ASP H H 8.297 0.004 1 18 328 6 ASP C C 176.879 0.011 1 19 328 6 ASP CA C 54.184 0.104 1 20 328 6 ASP CB C 40.505 0.005 1 21 328 6 ASP N N 119.407 0.042 1 22 329 7 GLY H H 8.253 0.002 1 23 329 7 GLY C C 175.155 0.000 1 24 329 7 GLY CA C 44.903 0.047 1 25 329 7 GLY N N 108.800 0.019 1 26 330 8 GLY H H 8.368 0.002 1 27 330 8 GLY C C 174.733 0.025 1 28 330 8 GLY CA C 44.987 0.066 1 29 330 8 GLY N N 108.891 0.012 1 30 331 9 GLY H H 8.258 0.002 1 31 331 9 GLY C C 173.910 0.034 1 32 331 9 GLY CA C 44.448 0.066 1 33 331 9 GLY N N 108.712 0.051 1 34 332 10 GLU H H 8.288 0.003 1 35 332 10 GLU C C 174.678 0.000 1 36 332 10 GLU CA C 54.007 0.098 1 37 332 10 GLU CB C 28.780 0.000 1 38 332 10 GLU N N 121.900 0.019 1 39 333 11 PRO C C 176.891 0.012 1 40 333 11 PRO CA C 62.650 0.034 1 41 334 12 LYS H H 8.413 0.003 1 42 334 12 LYS C C 176.578 0.019 1 43 334 12 LYS CA C 55.711 0.093 1 44 334 12 LYS CB C 31.857 0.000 1 45 334 12 LYS N N 121.888 0.023 1 46 335 13 VAL H H 8.134 0.003 1 47 335 13 VAL C C 175.724 0.015 1 48 335 13 VAL CA C 61.716 0.028 1 49 335 13 VAL CB C 31.938 0.000 1 50 335 13 VAL N N 122.122 0.047 1 51 336 14 VAL H H 8.171 0.002 1 52 336 14 VAL C C 175.649 0.007 1 53 336 14 VAL CA C 61.404 0.015 1 54 336 14 VAL CB C 32.062 0.041 1 55 336 14 VAL N N 124.550 0.031 1 56 337 15 PHE H H 8.397 0.002 1 57 337 15 PHE C C 175.363 0.007 1 58 337 15 PHE CA C 57.257 0.082 1 59 337 15 PHE CB C 38.828 0.009 1 60 337 15 PHE N N 125.084 0.037 1 61 338 16 LYS H H 8.171 0.001 1 62 338 16 LYS C C 175.863 0.011 1 63 338 16 LYS CA C 55.573 0.074 1 64 338 16 LYS CB C 32.370 0.004 1 65 338 16 LYS N N 124.194 0.069 1 66 339 17 GLU H H 8.375 0.002 1 67 339 17 GLU C C 176.408 0.002 1 68 339 17 GLU CA C 56.004 0.014 1 69 339 17 GLU CB C 29.449 0.035 1 70 339 17 GLU N N 122.483 0.017 1 71 340 18 LYS H H 8.439 0.001 1 72 340 18 LYS C C 176.682 0.047 1 73 340 18 LYS CA C 55.943 0.049 1 74 340 18 LYS CB C 32.062 0.016 1 75 340 18 LYS N N 122.621 0.033 1 76 341 19 THR H H 8.217 0.001 1 77 341 19 THR C C 174.503 0.027 1 78 341 19 THR CA C 61.534 0.079 1 79 341 19 THR CB C 69.002 0.045 1 80 341 19 THR N N 116.446 0.016 1 81 342 20 VAL H H 8.295 0.001 1 82 342 20 VAL C C 176.393 0.009 1 83 342 20 VAL CA C 61.783 0.036 1 84 342 20 VAL CB C 32.003 0.025 1 85 342 20 VAL N N 122.861 0.020 1 86 343 21 THR H H 8.268 0.002 1 87 343 21 THR C C 174.646 0.037 1 88 343 21 THR CA C 61.524 0.078 1 89 343 21 THR CB C 68.969 0.000 1 90 343 21 THR N N 117.998 0.026 1 91 344 22 SER H H 8.321 0.002 1 92 344 22 SER C C 174.472 0.036 1 93 344 22 SER CA C 57.835 0.034 1 94 344 22 SER CB C 63.137 0.000 1 95 344 22 SER N N 118.164 0.055 1 96 345 23 LEU H H 8.294 0.002 1 97 345 23 LEU C C 177.949 0.021 1 98 345 23 LEU CA C 55.022 0.096 1 99 345 23 LEU CB C 41.322 0.021 1 100 345 23 LEU N N 123.928 0.034 1 101 346 24 GLY H H 8.332 0.001 1 102 346 24 GLY C C 174.033 0.025 1 103 346 24 GLY CA C 44.846 0.061 1 104 346 24 GLY N N 109.248 0.020 1 105 347 25 VAL H H 7.926 0.001 1 106 347 25 VAL C C 176.357 0.006 1 107 347 25 VAL CA C 61.775 0.032 1 108 347 25 VAL CB C 31.814 0.003 1 109 347 25 VAL N N 119.133 0.008 1 110 348 26 MET H H 8.448 0.002 1 111 348 26 MET C C 176.039 0.014 1 112 348 26 MET CA C 54.788 0.029 1 113 348 26 MET CB C 31.898 0.014 1 114 348 26 MET N N 123.869 0.012 1 115 349 27 ALA H H 8.317 0.001 1 116 349 27 ALA C C 177.379 0.012 1 117 349 27 ALA CA C 52.200 0.088 1 118 349 27 ALA CB C 18.740 0.014 1 119 349 27 ALA N N 125.404 0.031 1 120 350 28 ASP H H 8.294 0.002 1 121 350 28 ASP C C 177.058 0.017 1 122 350 28 ASP CA C 54.087 0.115 1 123 350 28 ASP CB C 40.589 0.013 1 124 350 28 ASP N N 119.365 0.025 1 125 351 29 GLY H H 8.357 0.004 1 126 351 29 GLY C C 174.017 0.022 1 127 351 29 GLY CA C 45.073 0.108 1 128 351 29 GLY N N 109.576 0.047 1 129 352 30 VAL H H 7.881 0.001 1 130 352 30 VAL C C 175.735 0.020 1 131 352 30 VAL CA C 61.531 0.025 1 132 352 30 VAL CB C 31.808 0.040 1 133 352 30 VAL N N 119.350 0.037 1 134 353 31 ALA H H 8.360 0.001 1 135 353 31 ALA C C 175.618 0.000 1 136 353 31 ALA CA C 50.091 0.064 1 137 353 31 ALA CB C 17.603 0.000 1 138 353 31 ALA N N 128.963 0.026 1 139 354 32 PRO C C 176.834 0.020 1 140 354 32 PRO CA C 62.530 0.002 1 141 354 32 PRO CB C 31.643 0.000 1 142 355 33 VAL H H 8.042 0.001 1 143 355 33 VAL C C 175.973 0.018 1 144 355 33 VAL CA C 61.760 0.003 1 145 355 33 VAL CB C 31.788 0.004 1 146 355 33 VAL N N 119.624 0.030 1 147 356 34 PHE H H 8.256 0.002 1 148 356 34 PHE C C 175.532 0.008 1 149 356 34 PHE CA C 57.149 0.070 1 150 356 34 PHE CB C 38.779 0.000 1 151 356 34 PHE N N 123.794 0.043 1 152 357 35 LYS H H 8.149 0.003 1 153 357 35 LYS C C 175.954 0.012 1 154 357 35 LYS CA C 55.640 0.054 1 155 357 35 LYS CB C 32.140 0.000 1 156 357 35 LYS N N 123.559 0.028 1 157 358 36 LYS H H 8.219 0.003 1 158 358 36 LYS C C 176.494 0.001 1 159 358 36 LYS CA C 55.856 0.046 1 160 358 36 LYS CB C 32.120 0.022 1 161 358 36 LYS N N 122.810 0.044 1 162 359 37 ARG H H 8.402 0.006 1 163 359 37 ARG C C 176.278 0.000 1 164 359 37 ARG CA C 55.683 0.002 1 165 359 37 ARG CB C 29.755 0.000 1 166 359 37 ARG N N 122.992 0.030 1 167 360 38 ARG C C 176.511 0.022 1 168 360 38 ARG CA C 55.776 0.000 1 169 361 39 THR H H 8.274 0.003 1 170 361 39 THR C C 174.499 0.051 1 171 361 39 THR CA C 61.421 0.015 1 172 361 39 THR N N 115.950 0.115 1 173 362 40 GLU H H 8.534 0.004 1 174 362 40 GLU C C 176.282 0.000 1 175 362 40 GLU CA C 55.869 0.000 1 176 362 40 GLU N N 123.390 0.076 1 177 364 42 GLY H H 8.475 0.009 1 178 364 42 GLY C C 174.400 0.000 1 179 364 42 GLY CA C 45.171 0.031 1 180 364 42 GLY N N 109.380 0.016 1 181 365 43 LYS H H 8.157 0.004 1 182 365 43 LYS C C 176.985 0.026 1 183 365 43 LYS CA C 55.907 0.000 1 184 365 43 LYS CB C 32.056 0.000 1 185 365 43 LYS N N 120.605 0.038 1 186 366 44 SER H H 8.321 0.004 1 187 366 44 SER CA C 58.077 0.000 1 188 366 44 SER N N 116.453 0.036 1 189 367 45 ARG C C 175.982 0.055 1 190 367 45 ARG CA C 56.077 0.073 1 191 368 46 ASN H H 8.440 0.005 1 192 368 46 ASN C C 175.177 0.025 1 193 368 46 ASN CA C 52.886 0.018 1 194 368 46 ASN N N 119.175 0.067 1 195 369 47 LEU H H 8.204 0.006 1 196 369 47 LEU C C 177.396 0.007 1 197 369 47 LEU CA C 54.981 0.010 1 198 369 47 LEU CB C 41.188 0.009 1 199 369 47 LEU N N 122.485 0.036 1 200 370 48 ARG H H 8.274 0.003 1 201 370 48 ARG C C 176.355 0.023 1 202 370 48 ARG CA C 55.689 0.015 1 203 370 48 ARG CB C 29.473 0.000 1 204 370 48 ARG N N 121.055 0.037 1 205 371 49 GLN H H 8.396 0.005 1 206 371 49 GLN C C 175.945 0.026 1 207 371 49 GLN CA C 55.424 0.002 1 208 371 49 GLN CB C 29.476 0.000 1 209 371 49 GLN N N 121.411 0.037 1 210 372 50 ARG H H 8.445 0.001 1 211 372 50 ARG C C 176.927 0.023 1 212 372 50 ARG CA C 55.872 0.148 1 213 372 50 ARG N N 122.085 0.005 1 214 373 51 GLY H H 8.486 0.002 1 215 373 51 GLY C C 173.999 0.012 1 216 373 51 GLY CA C 44.878 0.069 1 217 373 51 GLY N N 110.265 0.068 1 218 374 52 ASP H H 8.254 0.002 1 219 374 52 ASP C C 176.038 0.016 1 220 374 52 ASP CA C 54.118 0.108 1 221 374 52 ASP CB C 40.433 0.000 1 222 374 52 ASP N N 120.238 0.019 1 223 375 53 ASP H H 8.349 0.002 1 224 375 53 ASP C C 175.343 0.009 1 225 375 53 ASP CA C 54.118 0.144 1 226 375 53 ASP CB C 40.321 0.017 1 227 375 53 ASP N N 119.979 0.011 1 228 376 54 GLN H H 7.836 0.001 1 229 376 54 GLN C C 180.706 0.000 1 230 376 54 GLN CA C 56.895 0.044 1 231 376 54 GLN CB C 29.763 0.000 1 232 376 54 GLN N N 124.548 0.019 1 stop_ save_