data_25931 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Transmembrane Structure of the Cytokine Receptor Common Subunit beta ; _BMRB_accession_number 25931 _BMRB_flat_file_name bmr25931.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" 43 "13C chemical shifts" 119 "15N chemical shifts" 42 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 25932 'P441A Mutant of 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 '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 5146.327 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GKRSWDTESVLPMWVLALIV 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 PRO 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 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 $entity 0.5 mM '[U-99% 13C; U-99% 15N; 80% 2H]' H20 93 % 'natural abundance' D20 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 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 ; 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, 25 mM HEPES NaOH (pH 7.4), 6% D2O, 0.02% NaN3 ; 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 . . . 0.10132900 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 1 430 1 GLY C C 179.466 0.3 1 2 430 1 GLY CA C 42.741 0.3 1 3 431 2 LYS H H 8.503 0.020 1 4 431 2 LYS C C 176.470 0.3 1 5 431 2 LYS CA C 56.046 0.3 1 6 431 2 LYS CB C 32.213 0.3 1 7 431 2 LYS N N 121.472 0.3 1 8 432 3 ARG H H 8.403 0.020 1 9 432 3 ARG C C 176.155 0.3 1 10 432 3 ARG CA C 55.385 0.3 1 11 432 3 ARG CB C 29.615 0.3 1 12 432 3 ARG N N 122.845 0.3 1 13 433 4 SER H H 8.219 0.020 1 14 433 4 SER C C 174.350 0.3 1 15 433 4 SER CA C 57.970 0.3 1 16 433 4 SER CB C 63.389 0.3 1 17 433 4 SER N N 117.709 0.3 1 18 434 5 TRP H H 8.143 0.020 1 19 434 5 TRP HE1 H 10.236 0.020 1 20 434 5 TRP C C 175.682 0.3 1 21 434 5 TRP CA C 56.945 0.3 1 22 434 5 TRP CB C 28.749 0.3 1 23 434 5 TRP N N 122.436 0.3 1 24 434 5 TRP NE1 N 130.289 0.3 1 25 435 6 ASP H H 8.107 0.020 1 26 435 6 ASP C C 175.734 0.3 1 27 435 6 ASP CA C 53.097 0.3 1 28 435 6 ASP CB C 38.446 0.3 1 29 435 6 ASP N N 119.681 0.3 1 30 436 7 THR H H 7.890 0.020 1 31 436 7 THR C C 174.841 0.3 1 32 436 7 THR CA C 62.342 0.3 1 33 436 7 THR CB C 68.789 0.3 1 34 436 7 THR N N 113.878 0.3 1 35 437 8 GLU H H 8.178 0.020 1 36 437 8 GLU C C 176.085 0.3 1 37 437 8 GLU CA C 56.271 0.3 1 38 437 8 GLU CB C 27.760 0.3 1 39 437 8 GLU N N 121.040 0.3 1 40 438 9 SER H H 8.014 0.020 1 41 438 9 SER HG H 3.776 0.020 1 42 438 9 SER C C 174.622 0.3 1 43 438 9 SER CA C 58.337 0.3 1 44 438 9 SER CB C 63.257 0.3 1 45 438 9 SER N N 115.041 0.3 1 46 439 10 VAL H H 7.867 0.020 1 47 439 10 VAL C C 175.866 0.3 1 48 439 10 VAL CA C 62.223 0.3 1 49 439 10 VAL CB C 31.602 0.3 1 50 439 10 VAL N N 119.164 0.3 1 51 440 11 LEU H H 7.951 0.020 1 52 440 11 LEU CA C 54.619 0.3 1 53 440 11 LEU N N 122.292 0.3 1 54 442 13 MET C C 178.354 0.3 1 55 443 14 TRP H H 8.163 0.020 1 56 443 14 TRP HE1 H 10.432 0.020 1 57 443 14 TRP CA C 59.593 0.3 1 58 443 14 TRP CB C 28.461 0.3 1 59 443 14 TRP N N 117.586 0.3 1 60 443 14 TRP NE1 N 130.210 0.3 1 61 444 15 VAL C C 177.425 0.3 1 62 444 15 VAL CA C 65.850 0.3 1 63 445 16 LEU H H 7.598 0.020 1 64 445 16 LEU C C 178.275 0.3 1 65 445 16 LEU CA C 57.792 0.3 1 66 445 16 LEU CB C 40.192 0.3 1 67 445 16 LEU N N 119.396 0.3 1 68 446 17 ALA H H 8.360 0.020 1 69 446 17 ALA C C 178.827 0.3 1 70 446 17 ALA CA C 55.134 0.3 1 71 446 17 ALA CB C 17.032 0.3 1 72 446 17 ALA N N 119.287 0.3 1 73 447 18 LEU H H 7.906 0.020 1 74 447 18 LEU C C 178.564 0.3 1 75 447 18 LEU CA C 57.818 0.3 1 76 447 18 LEU CB C 40.615 0.3 1 77 447 18 LEU N N 117.101 0.3 1 78 448 19 ILE H H 8.206 0.020 1 79 448 19 ILE C C 177.504 0.3 1 80 448 19 ILE CA C 65.667 0.3 1 81 448 19 ILE CB C 36.492 0.3 1 82 448 19 ILE N N 118.874 0.3 1 83 449 20 VAL H H 8.271 0.020 1 84 449 20 VAL C C 179.107 0.3 1 85 449 20 VAL CA C 66.917 0.3 1 86 449 20 VAL CB C 30.226 0.3 1 87 449 20 VAL N N 118.932 0.3 1 88 450 21 ILE H H 8.603 0.020 1 89 450 21 ILE C C 177.092 0.3 1 90 450 21 ILE CA C 65.594 0.3 1 91 450 21 ILE CB C 36.594 0.3 1 92 450 21 ILE N N 123.013 0.3 1 93 451 22 PHE H H 8.630 0.020 1 94 451 22 PHE C C 177.408 0.3 1 95 451 22 PHE CA C 61.389 0.3 1 96 451 22 PHE CB C 37.970 0.3 1 97 451 22 PHE N N 119.352 0.3 1 98 452 23 LEU H H 8.732 0.020 1 99 452 23 LEU C C 177.959 0.3 1 100 452 23 LEU CA C 57.606 0.3 1 101 452 23 LEU CB C 40.924 0.3 1 102 452 23 LEU N N 118.462 0.3 1 103 453 24 THR H H 8.107 0.020 1 104 453 24 THR C C 176.199 0.3 1 105 453 24 THR CA C 67.919 0.3 1 106 453 24 THR CB C 67.006 0.3 1 107 453 24 THR N N 116.076 0.3 1 108 454 25 ILE H H 8.050 0.020 1 109 454 25 ILE C C 176.934 0.3 1 110 454 25 ILE CA C 65.145 0.3 1 111 454 25 ILE CB C 36.595 0.3 1 112 454 25 ILE N N 120.174 0.3 1 113 455 26 ALA H H 8.255 0.020 1 114 455 26 ALA C C 178.897 0.3 1 115 455 26 ALA CA C 55.346 0.3 1 116 455 26 ALA CB C 17.074 0.3 1 117 455 26 ALA N N 121.197 0.3 1 118 456 27 VAL H H 8.215 0.020 1 119 456 27 VAL C C 177.513 0.3 1 120 456 27 VAL CA C 66.494 0.3 1 121 456 27 VAL CB C 30.226 0.3 1 122 456 27 VAL N N 116.760 0.3 1 123 457 28 LEU H H 8.157 0.020 1 124 457 28 LEU C C 179.589 0.3 1 125 457 28 LEU CA C 58.056 0.3 1 126 457 28 LEU CB C 40.414 0.3 1 127 457 28 LEU N N 119.491 0.3 1 128 458 29 LEU H H 8.562 0.020 1 129 458 29 LEU C C 178.949 0.3 1 130 458 29 LEU CA C 57.395 0.3 1 131 458 29 LEU CB C 40.615 0.3 1 132 458 29 LEU N N 118.534 0.3 1 133 459 30 ALA H H 8.403 0.020 1 134 459 30 ALA C C 179.842 0.3 1 135 459 30 ALA CA C 55.173 0.3 1 136 459 30 ALA CB C 17.083 0.3 1 137 459 30 ALA N N 122.364 0.3 1 138 460 31 LEU H H 8.530 0.020 1 139 460 31 LEU C C 179.308 0.3 1 140 460 31 LEU CA C 57.673 0.3 1 141 460 31 LEU CB C 40.414 0.3 1 142 460 31 LEU N N 118.056 0.3 1 143 461 32 ARG H H 8.051 0.020 1 144 461 32 ARG C C 178.608 0.3 1 145 461 32 ARG CA C 57.818 0.3 1 146 461 32 ARG CB C 28.607 0.3 1 147 461 32 ARG N N 119.570 0.3 1 148 462 33 PHE H H 8.463 0.020 1 149 462 33 PHE C C 177.180 0.3 1 150 462 33 PHE CA C 60.701 0.3 1 151 462 33 PHE CB C 38.530 0.3 1 152 462 33 PHE N N 118.758 0.3 1 153 463 34 CYS H H 8.317 0.020 1 154 463 34 CYS C C 176.092 0.3 1 155 463 34 CYS CA C 62.129 0.3 1 156 463 34 CYS CB C 26.966 0.3 1 157 463 34 CYS N N 116.550 0.3 1 158 464 35 GLY H H 8.079 0.020 1 159 464 35 GLY C C 174.972 0.3 1 160 464 35 GLY CA C 46.074 0.3 1 161 464 35 GLY N N 107.731 0.3 1 162 465 36 ILE H H 7.771 0.020 1 163 465 36 ILE C C 176.563 0.3 1 164 465 36 ILE CA C 62.500 0.3 1 165 465 36 ILE CB C 37.409 0.3 1 166 465 36 ILE N N 120.035 0.3 1 167 466 37 TYR H H 7.830 0.020 1 168 466 37 TYR C C 176.313 0.3 1 169 466 37 TYR CA C 58.506 0.3 1 170 466 37 TYR CB C 37.917 0.3 1 171 466 37 TYR N N 118.754 0.3 1 172 467 38 GLY H H 7.912 0.020 1 173 467 38 GLY C C 174.271 0.3 1 174 467 38 GLY CA C 45.624 0.3 1 175 467 38 GLY N N 108.001 0.3 1 176 468 39 TYR H H 7.891 0.020 1 177 468 39 TYR C C 175.743 0.3 1 178 468 39 TYR CA C 58.268 0.3 1 179 468 39 TYR CB C 37.613 0.3 1 180 468 39 TYR N N 119.906 0.3 1 181 469 40 ARG H H 7.868 0.020 1 182 469 40 ARG C C 175.945 0.3 1 183 469 40 ARG CA C 55.536 0.3 1 184 469 40 ARG CB C 30.035 0.3 1 185 469 40 ARG N N 120.994 0.3 1 186 470 41 LEU H H 7.906 0.020 1 187 470 41 LEU C C 176.689 0.3 1 188 470 41 LEU CA C 54.908 0.3 1 189 470 41 LEU CB C 41.077 0.3 1 190 470 41 LEU N N 121.404 0.3 1 191 471 42 ARG H H 7.902 0.020 1 192 471 42 ARG C C 175.778 0.3 1 193 471 42 ARG CA C 55.358 0.3 1 194 471 42 ARG CB C 29.982 0.3 1 195 471 42 ARG N N 120.513 0.3 1 196 472 43 ARG H H 8.220 0.020 1 197 472 43 ARG C C 175.428 0.3 1 198 472 43 ARG CA C 55.596 0.3 1 199 472 43 ARG CB C 29.982 0.3 1 200 472 43 ARG N N 122.770 0.3 1 201 473 44 LYS H H 7.954 0.020 1 202 473 44 LYS CA C 56.792 0.3 1 203 473 44 LYS CB C 32.468 0.3 1 204 473 44 LYS N N 109.041 0.3 1 stop_ save_