data_27108 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for SH3 domain of Noxa1 ; _BMRB_accession_number 27108 _BMRB_flat_file_name bmr27108.str _Entry_type original _Submission_date 2017-05-18 _Accession_date 2017-05-18 _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 Shrestha Pravesh . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 55 "13C chemical shifts" 116 "15N chemical shifts" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-09-14 original BMRB . stop_ _Original_release_date 2017-05-19 save_ ############################# # Citation for this entry # ############################# save_Noxa1_SH3 _Saveframe_category entry_citation _Citation_full . _Citation_title ; C-terminal tail of NADPH oxidase organizer 1 (Noxo1) mediates interaction with NADPH oxidase activator (Noxa1) in the NOX1 complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28625920 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shrestha Pravesh . . 2 Yun Ji-Hye H. . 3 Ko Yoon-Joo J. . 4 Kim Myeongkyu . . 5 Bae 'Yun Soo' S. . 6 Lee Weontae . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 490 _Journal_issue 3 _Journal_ISSN 1090-2104 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 594 _Page_last 600 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NOX1 ativator' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NOX1 ativator' $NOX1_activator 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_NOX1_activator _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NOX1_activator _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 64 _Mol_residue_sequence ; QRPVLYQVVAQHSYSAQGPE DLGFRQGDTVDVLCEVDQAW LEGHCDGRIGIFPKCVVPAG PRMS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 397 GLN 2 398 ARG 3 399 PRO 4 400 VAL 5 401 LEU 6 402 TYR 7 403 GLN 8 404 VAL 9 405 VAL 10 406 ALA 11 407 GLN 12 408 HIS 13 409 SER 14 410 TYR 15 411 SER 16 412 ALA 17 413 GLN 18 414 GLY 19 415 PRO 20 416 GLU 21 417 ASP 22 418 LEU 23 419 GLY 24 420 PHE 25 421 ARG 26 422 GLN 27 423 GLY 28 424 ASP 29 425 THR 30 426 VAL 31 427 ASP 32 428 VAL 33 429 LEU 34 430 CYS 35 431 GLU 36 432 VAL 37 433 ASP 38 434 GLN 39 435 ALA 40 436 TRP 41 437 LEU 42 438 GLU 43 439 GLY 44 440 HIS 45 441 CYS 46 442 ASP 47 443 GLY 48 444 ARG 49 445 ILE 50 446 GLY 51 447 ILE 52 448 PHE 53 449 PRO 54 450 LYS 55 451 CYS 56 452 VAL 57 453 VAL 58 454 PRO 59 455 ALA 60 456 GLY 61 457 PRO 62 458 ARG 63 459 MET 64 460 SER 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 $NOX1_activator 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 $NOX1_activator 'recombinant technology' . Escherichia coli . pET32a 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 $NOX1_activator . mM na HEPES 10 mM 'natural abundance' NaCl 100 mM 'natural abundance' DTT 1 mM 'natural abundance' NaN3 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 850 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 10mM HEPES 100mM NaCl 1mM DTT 0.01% NaN3 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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' 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 'NOX1 ativator' _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 1 398 2 ARG H H 8.129 0.010 . 2 398 2 ARG CA C 56.078 0.000 . 3 398 2 ARG CB C 30.033 0.000 . 4 398 2 ARG N N 118.766 0.021 . 5 400 4 VAL CA C 63.066 0.000 . 6 400 4 VAL CB C 32.700 0.065 . 7 401 5 LEU H H 9.078 0.006 . 8 401 5 LEU CA C 57.808 0.083 . 9 401 5 LEU CB C 42.854 0.021 . 10 401 5 LEU N N 129.168 0.043 . 11 402 6 TYR H H 7.141 0.004 . 12 402 6 TYR CA C 56.401 0.014 . 13 402 6 TYR CB C 37.601 0.054 . 14 402 6 TYR N N 111.029 0.029 . 15 403 7 GLN H H 9.051 0.003 . 16 403 7 GLN CA C 55.078 0.048 . 17 403 7 GLN CB C 32.404 0.024 . 18 403 7 GLN N N 117.011 0.014 . 19 404 8 VAL H H 8.999 0.003 . 20 404 8 VAL CA C 58.811 0.071 . 21 404 8 VAL CB C 36.140 0.070 . 22 404 8 VAL N N 113.953 0.045 . 23 405 9 VAL H H 9.006 0.004 . 24 405 9 VAL CA C 60.307 0.076 . 25 405 9 VAL CB C 34.526 0.043 . 26 405 9 VAL N N 119.716 0.018 . 27 406 10 ALA H H 8.676 0.003 . 28 406 10 ALA CA C 53.246 0.151 . 29 406 10 ALA CB C 20.282 0.051 . 30 406 10 ALA N N 128.340 0.027 . 31 407 11 GLN H H 9.469 0.002 . 32 407 11 GLN CA C 55.835 0.119 . 33 407 11 GLN CB C 30.067 0.034 . 34 407 11 GLN N N 126.132 0.063 . 35 408 12 HIS H H 7.770 0.001 . 36 408 12 HIS CA C 54.190 0.103 . 37 408 12 HIS CB C 33.577 0.052 . 38 408 12 HIS N N 116.704 0.012 . 39 409 13 SER H H 8.941 0.003 . 40 409 13 SER CA C 59.156 0.000 . 41 409 13 SER CB C 63.910 0.000 . 42 409 13 SER N N 118.119 0.070 . 43 410 14 TYR H H 8.271 0.000 . 44 410 14 TYR CA C 58.145 0.053 . 45 410 14 TYR CB C 38.983 0.000 . 46 410 14 TYR N N 122.364 0.000 . 47 411 15 SER H H 8.093 0.004 . 48 411 15 SER CA C 57.121 0.807 . 49 411 15 SER CB C 63.747 0.389 . 50 411 15 SER N N 117.696 0.023 . 51 412 16 ALA H H 8.062 0.002 . 52 412 16 ALA CA C 53.135 0.118 . 53 412 16 ALA CB C 19.679 0.072 . 54 412 16 ALA N N 127.309 0.013 . 55 413 17 GLN H H 9.090 0.009 . 56 413 17 GLN CA C 56.073 0.046 . 57 413 17 GLN CB C 30.350 0.034 . 58 413 17 GLN N N 122.263 0.042 . 59 414 18 GLY H H 8.060 0.003 . 60 414 18 GLY CA C 45.072 0.000 . 61 414 18 GLY N N 109.202 0.016 . 62 415 19 PRO CA C 64.938 0.112 . 63 415 19 PRO CB C 32.257 0.011 . 64 416 20 GLU H H 9.116 0.004 . 65 416 20 GLU CA C 56.682 0.076 . 66 416 20 GLU CB C 29.532 0.018 . 67 416 20 GLU N N 116.943 0.019 . 68 417 21 ASP H H 7.485 0.001 . 69 417 21 ASP CA C 54.653 0.069 . 70 417 21 ASP CB C 43.716 0.055 . 71 417 21 ASP N N 120.054 0.046 . 72 418 22 LEU H H 8.939 0.008 . 73 418 22 LEU CA C 54.058 0.128 . 74 418 22 LEU CB C 44.389 0.169 . 75 418 22 LEU N N 124.891 0.043 . 76 419 23 GLY H H 7.809 0.003 . 77 419 23 GLY CA C 43.854 0.026 . 78 419 23 GLY N N 108.220 0.016 . 79 420 24 PHE H H 8.113 0.002 . 80 420 24 PHE CA C 56.514 0.031 . 81 420 24 PHE CB C 39.835 0.050 . 82 420 24 PHE N N 113.415 0.038 . 83 421 25 ARG H H 9.399 0.002 . 84 421 25 ARG CA C 53.980 0.065 . 85 421 25 ARG CB C 32.259 0.030 . 86 421 25 ARG N N 121.049 0.038 . 87 422 26 GLN H H 8.258 0.002 . 88 422 26 GLN CA C 58.600 0.055 . 89 422 26 GLN CB C 28.479 0.035 . 90 422 26 GLN N N 121.510 0.049 . 91 423 27 GLY H H 8.941 0.002 . 92 423 27 GLY CA C 53.958 0.000 . 93 423 27 GLY N N 115.419 0.035 . 94 424 28 ASP H H 8.170 0.003 . 95 424 28 ASP CA C 55.941 0.116 . 96 424 28 ASP CB C 41.526 0.088 . 97 424 28 ASP N N 122.272 0.020 . 98 425 29 THR H H 8.331 0.002 . 99 425 29 THR CA C 63.136 0.080 . 100 425 29 THR CB C 69.543 0.104 . 101 425 29 THR N N 117.060 0.037 . 102 426 30 VAL H H 9.060 0.004 . 103 426 30 VAL CA C 61.229 0.017 . 104 426 30 VAL CB C 34.408 0.024 . 105 426 30 VAL N N 128.715 0.045 . 106 427 31 ASP H H 9.013 0.004 . 107 427 31 ASP CA C 54.425 0.067 . 108 427 31 ASP CB C 43.658 0.027 . 109 427 31 ASP N N 126.705 0.011 . 110 428 32 VAL H H 8.993 0.004 . 111 428 32 VAL CA C 65.481 0.053 . 112 428 32 VAL CB C 31.471 0.034 . 113 428 32 VAL N N 125.300 0.019 . 114 429 33 LEU H H 9.266 0.003 . 115 429 33 LEU CA C 54.946 0.042 . 116 429 33 LEU CB C 43.865 0.023 . 117 429 33 LEU N N 126.410 0.030 . 118 430 34 CYS H H 7.785 0.003 . 119 430 34 CYS CA C 58.786 0.012 . 120 430 34 CYS CB C 29.549 0.062 . 121 430 34 CYS N N 115.539 0.027 . 122 431 35 GLU H H 9.025 0.002 . 123 431 35 GLU CA C 55.703 0.106 . 124 431 35 GLU CB C 28.226 0.023 . 125 431 35 GLU N N 128.110 0.044 . 126 432 36 VAL H H 7.613 0.007 . 127 432 36 VAL CA C 66.024 0.080 . 128 432 36 VAL CB C 32.497 0.043 . 129 432 36 VAL N N 127.551 0.028 . 130 433 37 ASP H H 8.214 0.004 . 131 433 37 ASP CA C 54.059 0.071 . 132 433 37 ASP CB C 40.435 0.026 . 133 433 37 ASP N N 117.430 0.047 . 134 434 38 GLN H H 8.229 0.006 . 135 434 38 GLN CA C 58.590 0.043 . 136 434 38 GLN CB C 28.644 0.076 . 137 434 38 GLN N N 113.561 0.040 . 138 435 39 ALA H H 8.880 0.005 . 139 435 39 ALA CA C 52.360 0.011 . 140 435 39 ALA CB C 22.192 0.035 . 141 435 39 ALA N N 120.767 0.026 . 142 436 40 TRP H H 8.242 0.008 . 143 436 40 TRP CA C 57.126 0.034 . 144 436 40 TRP CB C 31.708 0.072 . 145 436 40 TRP N N 121.289 0.022 . 146 437 41 LEU H H 8.429 0.005 . 147 437 41 LEU CA C 52.645 0.035 . 148 437 41 LEU CB C 45.772 0.019 . 149 437 41 LEU N N 119.560 0.040 . 150 438 42 GLU H H 8.593 0.003 . 151 438 42 GLU CA C 54.714 0.082 . 152 438 42 GLU CB C 33.147 0.060 . 153 438 42 GLU N N 119.234 0.039 . 154 439 43 GLY H H 9.730 0.006 . 155 439 43 GLY CA C 46.544 0.022 . 156 439 43 GLY N N 114.150 0.042 . 157 440 44 HIS H H 9.176 0.003 . 158 440 44 HIS CA C 54.295 0.035 . 159 440 44 HIS CB C 33.398 0.027 . 160 440 44 HIS N N 117.807 0.018 . 161 441 45 CYS H H 8.669 0.003 . 162 441 45 CYS CA C 59.720 0.148 . 163 441 45 CYS CB C 29.412 0.033 . 164 441 45 CYS N N 127.212 0.008 . 165 442 46 ASP H H 9.235 0.003 . 166 442 46 ASP CA C 55.722 0.116 . 167 442 46 ASP CB C 40.412 0.086 . 168 442 46 ASP N N 128.765 0.038 . 169 443 47 GLY H H 8.294 0.156 . 170 443 47 GLY CA C 45.494 0.032 . 171 443 47 GLY N N 105.017 0.011 . 172 444 48 ARG H H 7.771 0.003 . 173 444 48 ARG CA C 55.357 0.065 . 174 444 48 ARG CB C 32.105 0.045 . 175 444 48 ARG N N 122.164 0.016 . 176 445 49 ILE H H 8.303 0.003 . 177 445 49 ILE CA C 59.509 0.045 . 178 445 49 ILE CB C 42.050 0.061 . 179 445 49 ILE N N 119.725 0.037 . 180 446 50 GLY H H 8.738 0.006 . 181 446 50 GLY CA C 45.890 0.026 . 182 446 50 GLY N N 112.868 0.050 . 183 447 51 ILE H H 8.838 0.001 . 184 447 51 ILE CA C 60.310 0.145 . 185 447 51 ILE CB C 41.883 0.066 . 186 447 51 ILE N N 115.512 0.012 . 187 448 52 PHE H H 9.167 0.003 . 188 448 52 PHE CA C 56.312 0.000 . 189 448 52 PHE CB C 38.864 0.000 . 190 448 52 PHE N N 118.803 0.014 . 191 449 53 PRO CA C 61.785 0.146 . 192 449 53 PRO CB C 31.685 0.014 . 193 450 54 LYS H H 8.186 0.002 . 194 450 54 LYS CA C 59.185 0.059 . 195 450 54 LYS CB C 33.517 0.163 . 196 450 54 LYS N N 125.283 0.037 . 197 451 55 CYS H H 8.042 0.006 . 198 451 55 CYS CA C 59.267 0.154 . 199 451 55 CYS CB C 27.173 0.055 . 200 451 55 CYS N N 111.657 0.067 . 201 452 56 VAL H H 7.542 0.004 . 202 452 56 VAL CA C 59.001 0.123 . 203 452 56 VAL CB C 39.821 0.037 . 204 452 56 VAL N N 120.512 0.026 . 205 453 57 VAL H H 8.034 0.002 . 206 453 57 VAL CA C 59.526 0.105 . 207 453 57 VAL CB C 35.758 0.045 . 208 453 57 VAL N N 111.216 0.010 . 209 454 58 PRO CA C 58.882 0.000 . 210 454 58 PRO CB C 34.269 0.000 . 211 454 58 PRO N N 114.984 0.030 . 212 455 59 ALA CA C 64.201 0.095 . 213 455 59 ALA CB C 32.364 0.009 . 214 456 60 GLY H H 8.256 0.003 . 215 456 60 GLY CA C 52.475 0.061 . 216 456 60 GLY N N 125.206 0.041 . 217 457 61 PRO CA C 44.794 0.000 . 218 457 61 PRO N N 108.334 0.067 . 219 458 62 ARG CA C 63.255 0.013 . 220 458 62 ARG CB C 32.312 0.012 . 221 459 63 MET H H 8.402 0.001 . 222 459 63 MET CA C 56.420 0.040 . 223 459 63 MET CB C 30.937 0.031 . 224 459 63 MET N N 121.400 0.015 . 225 460 64 SER H H 8.473 0.002 . 226 460 64 SER CA C 55.953 0.029 . 227 460 64 SER CB C 33.293 0.033 . 228 460 64 SER N N 123.009 0.029 . stop_ save_