data_25932 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Transmembrane Structure of the P441A Mutant of the Cytokine Receptor Common Subunit beta ; _BMRB_accession_number 25932 _BMRB_flat_file_name bmr25932.str _Entry_type original _Submission_date 2015-12-21 _Accession_date 2015-12-21 _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 Schmidt Thomas . . 2 Ye Feng . . 3 Situ Alan J. . 4 An Woojin . . 5 Ginsberg Mark H. . 6 Ulmer Tobias S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 42 "13C chemical shifts" 119 "15N chemical shifts" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-18 update BMRB 'update entry citation' 2016-07-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25931 'Cytokine Receptor Common Subunit beta' stop_ _Original_release_date 2016-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Conserved Ectodomain-Transmembrane Domain Linker Motif Tunes the Allosteric Regulation of Cell Surface Receptors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27365391 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schmidt Thomas . . 2 Ye Feng . . 3 Situ Alan J. . 4 An Woojin . . 5 Ginsberg Mark H. . 6 Ulmer Tobias S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 34 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17536 _Page_last 17546 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'P441A Mutant of the Cytokine Receptor Common Subunit beta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 5120.289 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GKRSWDTESVLAMWVLALIV IFLTIAVLLALRFCGIYGYR LRRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 430 GLY 2 431 LYS 3 432 ARG 4 433 SER 5 434 TRP 6 435 ASP 7 436 THR 8 437 GLU 9 438 SER 10 439 VAL 11 440 LEU 12 441 ALA 13 442 MET 14 443 TRP 15 444 VAL 16 445 LEU 17 446 ALA 18 447 LEU 19 448 ILE 20 449 VAL 21 450 ILE 22 451 PHE 23 452 LEU 24 453 THR 25 454 ILE 26 455 ALA 27 456 VAL 28 457 LEU 29 458 LEU 30 459 ALA 31 460 LEU 32 461 ARG 33 462 PHE 34 463 CYS 35 464 GLY 36 465 ILE 37 466 TYR 38 467 GLY 39 468 TYR 40 469 ARG 41 470 LEU 42 471 ARG 43 472 ARG 44 473 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 $entity 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 $entity 'recombinant technology' . Escherichia coli . pET44-GB3-bc(P441A) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 350 mM 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC), 105 mM 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), 10 mM tris(2-carboxyethyl)phosphine (TCEP), 25 mM HEPES NaOH (pH 7.4), 6% D2O, 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM '[U-99% 13C; U-99% 15N; 80% 2H]' H2O 93 % 'natural abundance' D2O 6 % 'natural abundance' '1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC)' 350 mM 'natural abundance' '1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC)' 105 mM 'natural abundance' 'tris(2-carboxyethyl)phosphine (TCEP)' 10 mM 'natural abundance' 'HEPES NaOH' 25 mM 'natural abundance' NaN3 0.02 % 'natural abundance' 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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_quant_J_correlation_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D quant J correlation' _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 7.4 . pH pressure 1 . atm temperature 313 . 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 water C 13 protons ppm 4.628 internal indirect . . . 0.25144954 water H 1 protons ppm 4.628 internal direct . . . 1 water N 15 protons ppm 4.628 internal indirect . . . 0.101329 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 '3D HNCA' '3D HNCACB' 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 entity _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 1 433 4 SER C C 174.143 0.3 1 2 433 4 SER CA C 57.715 0.3 1 3 433 4 SER CB C 63.602 0.3 1 4 434 5 TRP H H 8.283 0.020 1 5 434 5 TRP HE1 H 10.236 0.020 1 6 434 5 TRP C C 175.587 0.3 1 7 434 5 TRP CA C 56.604 0.3 1 8 434 5 TRP CB C 29.269 0.3 1 9 434 5 TRP N N 122.746 0.3 1 10 434 5 TRP NE1 N 130.289 0.3 1 11 435 6 ASP H H 8.219 0.020 1 12 435 6 ASP C C 176.543 0.3 1 13 435 6 ASP CA C 53.562 0.3 1 14 435 6 ASP CB C 40.854 0.3 1 15 435 6 ASP N N 121.374 0.3 1 16 436 7 THR H H 8.251 0.020 1 17 436 7 THR C C 175.651 0.3 1 18 436 7 THR CA C 65.015 0.3 1 19 436 7 THR CB C 68.416 0.3 1 20 436 7 THR N N 116.111 0.3 1 21 437 8 GLU H H 8.897 0.020 1 22 437 8 GLU C C 177.988 0.3 1 23 437 8 GLU CA C 59.513 0.3 1 24 437 8 GLU CB C 28.370 0.3 1 25 437 8 GLU N N 121.374 0.3 1 26 438 9 SER H H 8.018 0.020 1 27 438 9 SER HG H 3.856 0.020 1 28 438 9 SER C C 175.832 0.3 1 29 438 9 SER CA C 60.889 0.3 1 30 438 9 SER CB C 62.491 0.3 1 31 438 9 SER N N 115.658 0.3 1 32 439 10 VAL H H 7.908 0.020 1 33 439 10 VAL C C 177.743 0.3 1 34 439 10 VAL CA C 65.861 0.3 1 35 439 10 VAL CB C 30.698 0.3 1 36 439 10 VAL N N 122.608 0.3 1 37 440 11 LEU H H 8.171 0.020 1 38 440 11 LEU C C 178.466 0.3 1 39 440 11 LEU CA C 57.953 0.3 1 40 440 11 LEU CB C 40.378 0.3 1 41 440 11 LEU N N 120.077 0.3 1 42 441 12 ALA H H 8.090 0.020 1 43 441 12 ALA C C 178.986 0.3 1 44 441 12 ALA CA C 55.122 0.3 1 45 441 12 ALA CB C 17.367 0.3 1 46 441 12 ALA N N 119.465 0.3 1 47 442 13 MET H H 7.875 0.020 1 48 442 13 MET C C 178.073 0.3 1 49 442 13 MET CA C 58.217 0.3 1 50 442 13 MET CB C 31.597 0.3 1 51 442 13 MET N N 116.111 0.3 1 52 443 14 TRP H H 8.196 0.020 1 53 443 14 TRP HE1 H 10.432 0.020 1 54 443 14 TRP C C 178.445 0.3 1 55 443 14 TRP CA C 60.624 0.3 1 56 443 14 TRP CB C 28.899 0.3 1 57 443 14 TRP N N 119.802 0.3 1 58 443 14 TRP NE1 N 130.210 0.3 1 59 444 15 VAL H H 8.353 0.020 1 60 444 15 VAL C C 177.563 0.3 1 61 444 15 VAL CA C 66.866 0.3 1 62 444 15 VAL CB C 30.221 0.3 1 63 444 15 VAL N N 118.509 0.3 1 64 445 16 LEU H H 8.233 0.020 1 65 445 16 LEU C C 178.168 0.3 1 66 445 16 LEU CA C 57.979 0.3 1 67 445 16 LEU CB C 40.431 0.3 1 68 445 16 LEU N N 119.328 0.3 1 69 446 17 ALA H H 8.402 0.020 1 70 446 17 ALA C C 179.071 0.3 1 71 446 17 ALA CA C 55.096 0.3 1 72 446 17 ALA CB C 16.996 0.3 1 73 446 17 ALA N N 120.009 0.3 1 74 447 18 LEU H H 8.244 0.020 1 75 447 18 LEU C C 178.678 0.3 1 76 447 18 LEU CA C 57.767 0.3 1 77 447 18 LEU CB C 40.378 0.3 1 78 447 18 LEU N N 117.136 0.3 1 79 448 19 ILE H H 8.286 0.020 1 80 448 19 ILE C C 177.574 0.3 1 81 448 19 ILE CA C 65.702 0.3 1 82 448 19 ILE CB C 36.464 0.3 1 83 448 19 ILE N N 119.121 0.3 1 84 449 20 VAL H H 8.327 0.020 1 85 449 20 VAL C C 179.135 0.3 1 86 449 20 VAL CA C 67.051 0.3 1 87 449 20 VAL CB C 30.175 0.3 1 88 449 20 VAL N N 119.052 0.3 1 89 450 21 ILE H H 8.670 0.020 1 90 450 21 ILE C C 177.074 0.3 1 91 450 21 ILE CA C 65.594 0.3 1 92 450 21 ILE CB C 36.594 0.3 1 93 450 21 ILE N N 123.014 0.3 1 94 451 22 PHE H H 8.651 0.020 1 95 451 22 PHE C C 177.297 0.3 1 96 451 22 PHE CA C 61.389 0.3 1 97 451 22 PHE CB C 37.970 0.3 1 98 451 22 PHE N N 119.392 0.3 1 99 452 23 LEU H H 8.731 0.020 1 100 452 23 LEU C C 177.967 0.3 1 101 452 23 LEU CA C 57.606 0.3 1 102 452 23 LEU CB C 40.924 0.3 1 103 452 23 LEU N N 118.367 0.3 1 104 453 24 THR H H 8.104 0.020 1 105 453 24 THR C C 176.220 0.3 1 106 453 24 THR CA C 67.919 0.3 1 107 453 24 THR CB C 67.006 0.3 1 108 453 24 THR N N 116.173 0.3 1 109 454 25 ILE H H 8.043 0.020 1 110 454 25 ILE C C 176.915 0.3 1 111 454 25 ILE CA C 65.041 0.3 1 112 454 25 ILE CB C 36.464 0.3 1 113 454 25 ILE N N 120.077 0.3 1 114 455 26 ALA H H 8.265 0.020 1 115 455 26 ALA C C 178.806 0.3 1 116 455 26 ALA CA C 55.346 0.3 1 117 455 26 ALA CB C 16.890 0.3 1 118 455 26 ALA N N 121.174 0.3 1 119 456 27 VAL H H 8.211 0.020 1 120 456 27 VAL C C 177.489 0.3 1 121 456 27 VAL CA C 66.494 0.3 1 122 456 27 VAL CB C 30.226 0.3 1 123 456 27 VAL N N 116.661 0.3 1 124 457 28 LEU H H 8.150 0.020 1 125 457 28 LEU C C 179.517 0.3 1 126 457 28 LEU CA C 58.056 0.3 1 127 457 28 LEU CB C 40.414 0.3 1 128 457 28 LEU N N 119.465 0.3 1 129 458 29 LEU H H 8.542 0.020 1 130 458 29 LEU C C 178.891 0.3 1 131 458 29 LEU CA C 57.395 0.3 1 132 458 29 LEU CB C 40.484 0.3 1 133 458 29 LEU N N 118.436 0.3 1 134 459 30 ALA H H 8.401 0.020 1 135 459 30 ALA C C 179.793 0.3 1 136 459 30 ALA CA C 55.122 0.3 1 137 459 30 ALA CB C 17.208 0.3 1 138 459 30 ALA N N 122.337 0.3 1 139 460 31 LEU H H 8.518 0.020 1 140 460 31 LEU C C 179.262 0.3 1 141 460 31 LEU CA C 57.673 0.3 1 142 460 31 LEU CB C 40.414 0.3 1 143 460 31 LEU N N 117.961 0.3 1 144 461 32 ARG H H 8.029 0.020 1 145 461 32 ARG C C 178.625 0.3 1 146 461 32 ARG CA C 57.818 0.3 1 147 461 32 ARG CB C 28.443 0.3 1 148 461 32 ARG N N 119.534 0.3 1 149 462 33 PHE H H 8.460 0.020 1 150 462 33 PHE C C 177.127 0.3 1 151 462 33 PHE CA C 60.624 0.3 1 152 462 33 PHE CB C 38.633 0.3 1 153 462 33 PHE N N 118.777 0.3 1 154 463 34 CYS H H 8.278 0.020 1 155 463 34 CYS C C 175.980 0.3 1 156 463 34 CYS CA C 61.999 0.3 1 157 463 34 CYS CB C 26.966 0.3 1 158 463 34 CYS N N 116.386 0.3 1 159 464 35 GLY H H 8.050 0.020 1 160 464 35 GLY C C 174.990 0.3 1 161 464 35 GLY CA C 45.944 0.3 1 162 464 35 GLY N N 107.774 0.3 1 163 465 36 ILE H H 7.745 0.020 1 164 465 36 ILE C C 176.458 0.3 1 165 465 36 ILE CA C 62.423 0.3 1 166 465 36 ILE CB C 37.409 0.3 1 167 465 36 ILE N N 119.940 0.3 1 168 466 37 TYR H H 7.807 0.020 1 169 466 37 TYR C C 176.150 0.3 1 170 466 37 TYR CA C 58.429 0.3 1 171 466 37 TYR CB C 37.917 0.3 1 172 466 37 TYR N N 118.846 0.3 1 173 467 38 GLY H H 7.887 0.020 1 174 467 38 GLY C C 174.143 0.3 1 175 467 38 GLY CA C 45.547 0.3 1 176 467 38 GLY N N 107.987 0.3 1 177 468 39 TYR H H 7.867 0.020 1 178 468 39 TYR C C 175.524 0.3 1 179 468 39 TYR CA C 58.164 0.3 1 180 468 39 TYR CB C 37.786 0.3 1 181 468 39 TYR N N 119.878 0.3 1 182 469 40 ARG H H 7.873 0.020 1 183 469 40 ARG C C 175.800 0.3 1 184 469 40 ARG CA C 55.334 0.3 1 185 469 40 ARG CB C 30.035 0.3 1 186 469 40 ARG N N 121.174 0.3 1 187 470 41 LEU H H 7.940 0.020 1 188 470 41 LEU C C 176.618 0.3 1 189 470 41 LEU CA C 54.858 0.3 1 190 470 41 LEU CB C 41.331 0.3 1 191 470 41 LEU N N 121.718 0.3 1 192 471 42 ARG H H 7.922 0.020 1 193 471 42 ARG CA C 55.308 0.3 1 194 471 42 ARG CB C 30.010 0.3 1 195 471 42 ARG N N 120.624 0.3 1 196 472 43 ARG C C 175.258 0.3 1 197 472 43 ARG CA C 55.704 0.3 1 198 472 43 ARG CB C 29.851 0.3 1 199 473 44 LYS H H 7.826 0.020 1 200 473 44 LYS CA C 57.344 0.3 1 201 473 44 LYS CB C 32.468 0.3 1 202 473 44 LYS N N 110.161 0.3 1 stop_ save_