data_27671 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide chemical shifts of human HuR RRM3 ; _BMRB_accession_number 27671 _BMRB_flat_file_name bmr27671.str _Entry_type original _Submission_date 2018-10-31 _Accession_date 2018-10-31 _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 Pabis Marta . . 2 Popowicz Grzegorz . . 3 Schlundt Andreas . . 4 Sattler Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 69 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-15 update BMRB 'update entry citation' 2018-11-14 original author 'original release' stop_ _Original_release_date 2018-10-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30418581 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pabis Marta . . 2 Popowicz Grzegorz . . 3 Stehle Ralf . . 4 Fernandez-Ramos David . . 5 Asami Sam . . 6 Warner Lisa . . 7 Garcia-Maurino Sofia . . 8 Schlundt Andreas . . 9 Martinez-Chantar Maria . . 10 Diaz-Moreno Irene . . 11 Sattler Michael . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 47 _Journal_issue 2 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1011 _Page_last 1029 _Year 2019 _Details . loop_ _Keyword 'Human antigen R protein' 'Integrated structural biology' 'Multi-domain RNA binding protein' 'mRNA stability' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HuR RRM3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HuR RRM3' $HuR_RRM3 stop_ _System_molecular_weight 9691.17 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HuR_RRM3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HuR_RRM3 _Molecular_mass 9691.17 _Mol_thiol_state 'all free' loop_ _Biological_function 'mRNA binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; GAMGWCIFIYNLGQDADEGI LWQMFGPFGAVTNVKVIRDF NTNKCKGFGFVTMTNYEEAA MAIASLNGYRLGDKILQVSF KTNKSHK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 240 GLY 2 241 ALA 3 242 MET 4 243 GLY 5 244 TRP 6 245 CYS 7 246 ILE 8 247 PHE 9 248 ILE 10 249 TYR 11 250 ASN 12 251 LEU 13 252 GLY 14 253 GLN 15 254 ASP 16 255 ALA 17 256 ASP 18 257 GLU 19 258 GLY 20 259 ILE 21 260 LEU 22 261 TRP 23 262 GLN 24 263 MET 25 264 PHE 26 265 GLY 27 266 PRO 28 267 PHE 29 268 GLY 30 269 ALA 31 270 VAL 32 271 THR 33 272 ASN 34 273 VAL 35 274 LYS 36 275 VAL 37 276 ILE 38 277 ARG 39 278 ASP 40 279 PHE 41 280 ASN 42 281 THR 43 282 ASN 44 283 LYS 45 284 CYS 46 285 LYS 47 286 GLY 48 287 PHE 49 288 GLY 50 289 PHE 51 290 VAL 52 291 THR 53 292 MET 54 293 THR 55 294 ASN 56 295 TYR 57 296 GLU 58 297 GLU 59 298 ALA 60 299 ALA 61 300 MET 62 301 ALA 63 302 ILE 64 303 ALA 65 304 SER 66 305 LEU 67 306 ASN 68 307 GLY 69 308 TYR 70 309 ARG 71 310 LEU 72 311 GLY 73 312 ASP 74 313 LYS 75 314 ILE 76 315 LEU 77 316 GLN 78 317 VAL 79 318 SER 80 319 PHE 81 320 LYS 82 321 THR 83 322 ASN 84 323 LYS 85 324 SER 86 325 HIS 87 326 LYS 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 $HuR_RRM3 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 _Variant _Vector_name $HuR_RRM3 'recombinant technology' . Escherichia coli K12 'BL21 (DE3)' 'pET GST-1a' 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 $HuR_RRM3 120 uM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HuR_RRM3 120 uM '[U-15N; U-2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name CCPNMR_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _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_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 298 . 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 H 1 'methyl protons' ppm 0 na direct . . . 1 urea N 15 nitrogen ppm 0 na indirect . . . 0.251449530 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' 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 'HuR RRM3' _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 1 243 4 GLY N N 108.919 0.000 1 2 244 5 TRP H H 9.000 0.000 1 3 244 5 TRP N N 122.545 0.000 1 4 245 6 CYS H H 9.005 0.000 1 5 245 6 CYS N N 124.212 0.000 1 6 246 7 ILE H H 9.832 0.000 1 7 246 7 ILE N N 132.406 0.000 1 8 247 8 PHE H H 9.514 0.000 1 9 247 8 PHE N N 127.774 0.000 1 10 248 9 ILE H H 8.318 0.000 1 11 248 9 ILE N N 125.490 0.000 1 12 249 10 TYR H H 9.100 0.000 1 13 249 10 TYR N N 124.503 0.000 1 14 250 11 ASN H H 7.592 0.000 1 15 250 11 ASN N N 117.242 0.000 1 16 251 12 LEU H H 7.235 0.000 1 17 251 12 LEU N N 113.640 0.000 1 18 252 13 GLY H H 8.426 0.000 1 19 252 13 GLY N N 107.825 0.000 1 20 253 14 GLN H H 8.533 0.000 1 21 253 14 GLN N N 116.426 0.000 1 22 254 15 ASP H H 8.590 0.000 1 23 254 15 ASP N N 116.745 0.000 1 24 255 16 ALA H H 7.184 0.000 1 25 255 16 ALA N N 123.391 0.000 1 26 256 17 ASP H H 7.102 0.000 1 27 256 17 ASP N N 116.522 0.000 1 28 257 18 GLU H H 9.671 0.000 1 29 257 18 GLU N N 119.042 0.000 1 30 258 19 GLY H H 8.582 0.000 1 31 258 19 GLY N N 106.499 0.000 1 32 259 20 ILE H H 7.695 0.000 1 33 259 20 ILE N N 120.638 0.000 1 34 260 21 LEU H H 7.060 0.000 1 35 260 21 LEU N N 119.707 0.000 1 36 261 22 TRP H H 8.450 0.000 1 37 261 22 TRP N N 120.514 0.000 1 38 271 32 THR H H 8.200 0.000 1 39 271 32 THR N N 114.002 0.000 1 40 272 33 ASN H H 7.316 0.000 1 41 272 33 ASN N N 118.275 0.000 1 42 273 34 VAL H H 7.909 0.000 1 43 273 34 VAL N N 119.750 0.000 1 44 274 35 LYS H H 8.744 0.000 1 45 274 35 LYS N N 124.400 0.000 1 46 275 36 VAL H H 8.631 0.000 1 47 275 36 VAL N N 123.247 0.000 1 48 276 37 ILE H H 7.896 0.000 1 49 276 37 ILE N N 126.541 0.000 1 50 277 38 ARG H H 8.655 0.000 1 51 277 38 ARG N N 127.194 0.000 1 52 278 39 ASP H H 8.481 0.000 1 53 278 39 ASP N N 121.802 0.000 1 54 280 41 ASN H H 8.700 0.000 1 55 280 41 ASN N N 116.012 0.000 1 56 281 42 THR H H 8.188 0.000 1 57 281 42 THR N N 108.014 0.000 1 58 282 43 ASN H H 8.389 0.000 1 59 282 43 ASN N N 117.205 0.000 1 60 283 44 LYS H H 7.745 0.000 1 61 283 44 LYS N N 117.039 0.000 1 62 284 45 CYS H H 8.900 0.000 1 63 284 45 CYS N N 121.725 0.000 1 64 285 46 LYS H H 9.094 0.000 1 65 285 46 LYS N N 128.629 0.000 1 66 286 47 GLY H H 8.502 0.000 1 67 286 47 GLY N N 107.292 0.000 1 68 287 48 PHE H H 6.826 0.000 1 69 287 48 PHE N N 115.595 0.000 1 70 288 49 GLY H H 8.636 0.000 1 71 288 49 GLY N N 105.727 0.000 1 72 289 50 PHE H H 8.981 0.000 1 73 289 50 PHE N N 114.665 0.000 1 74 290 51 VAL H H 8.934 0.000 1 75 290 51 VAL N N 120.976 0.000 1 76 291 52 THR H H 8.631 0.000 1 77 291 52 THR N N 121.355 0.000 1 78 292 53 MET H H 8.863 0.000 1 79 292 53 MET N N 124.544 0.000 1 80 293 54 THR H H 7.317 0.000 1 81 293 54 THR N N 117.159 0.000 1 82 294 55 ASN H H 9.921 0.000 1 83 294 55 ASN N N 120.045 0.000 1 84 295 56 TYR H H 9.131 0.000 1 85 295 56 TYR N N 128.488 0.000 1 86 296 57 GLU H H 9.079 0.000 1 87 296 57 GLU N N 115.583 0.000 1 88 297 58 GLU H H 7.103 0.000 1 89 297 58 GLU N N 119.618 0.000 1 90 298 59 ALA H H 7.992 0.000 1 91 298 59 ALA N N 122.795 0.000 1 92 299 60 ALA H H 8.751 0.000 1 93 299 60 ALA N N 118.370 0.000 1 94 300 61 MET H H 7.568 0.000 1 95 300 61 MET N N 119.247 0.000 1 96 301 62 ALA H H 8.016 0.000 1 97 301 62 ALA N N 125.537 0.000 1 98 302 63 ILE H H 8.071 0.000 1 99 302 63 ILE N N 117.373 0.000 1 100 303 64 ALA H H 7.649 0.000 1 101 303 64 ALA N N 118.880 0.000 1 102 304 65 SER H H 7.513 0.000 1 103 304 65 SER N N 110.842 0.000 1 104 305 66 LEU H H 8.131 0.000 1 105 305 66 LEU N N 118.878 0.000 1 106 306 67 ASN H H 8.097 0.000 1 107 306 67 ASN N N 117.505 0.000 1 108 307 68 GLY H H 8.604 0.000 1 109 307 68 GLY N N 117.470 0.000 1 110 308 69 TYR H H 7.984 0.000 1 111 308 69 TYR N N 123.492 0.000 1 112 309 70 ARG H H 7.591 0.000 1 113 309 70 ARG N N 127.355 0.000 1 114 310 71 LEU H H 8.560 0.000 1 115 310 71 LEU N N 130.260 0.000 1 116 311 72 GLY H H 8.986 0.000 1 117 311 72 GLY N N 118.292 0.000 1 118 312 73 ASP H H 8.747 0.000 1 119 312 73 ASP N N 125.413 0.000 1 120 313 74 LYS H H 7.731 0.000 1 121 313 74 LYS N N 119.818 0.000 1 122 314 75 ILE H H 8.142 0.000 1 123 314 75 ILE N N 120.900 0.000 1 124 315 76 LEU H H 9.252 0.000 1 125 315 76 LEU N N 128.614 0.000 1 126 316 77 GLN H H 8.198 0.000 1 127 316 77 GLN N N 121.758 0.000 1 128 317 78 VAL H H 8.850 0.000 1 129 317 78 VAL N N 125.980 0.000 1 130 318 79 SER H H 8.899 0.000 1 131 318 79 SER N N 118.190 0.000 1 132 319 80 PHE H H 8.849 0.000 1 133 319 80 PHE N N 120.253 0.000 1 134 320 81 LYS H H 9.035 0.000 1 135 320 81 LYS N N 123.531 0.000 1 136 321 82 THR H H 8.426 0.000 1 137 321 82 THR N N 117.571 0.000 1 138 326 87 LYS H H 7.873 0.000 1 139 326 87 LYS N N 127.348 0.000 1 stop_ save_