data_25549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N backbone chemical shift assignments of mouse BMAL2 transactivation domain ; _BMRB_accession_number 25549 _BMRB_flat_file_name bmr25549.str _Entry_type original _Submission_date 2015-03-23 _Accession_date 2015-03-23 _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 Lee Hsiau-Wei . . 2 Gustafson Chelsea . . 3 Parsley Nicole . . 4 Partch Carrie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 41 "13C chemical shifts" 84 "15N chemical shifts" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-25 update BMRB 'update entry citation' 2015-04-27 original author 'original release' stop_ _Original_release_date 2015-04-27 save_ ############################# # Citation for this entry # ############################# save_NSMB _Saveframe_category entry_citation _Citation_full . _Citation_title ; Cryptochrome 1 regulates the circadian clock through dynamic interactions with the BMAL1 C terminus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25961797 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Haiyan . . 2 Guftafson Chelsea L. . 3 Sammons Patrick J. . 4 Khan Sanjoy K. . 5 Parsley Nicole C. . 6 Ramanathan Chidambaram . . 7 Lee Hsiau-Wei . . 8 Liu Andrew C. . 9 Partch Carrie L. . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_volume 22 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 476 _Page_last 484 _Year 2015 _Details . loop_ _Keyword CBP 'Circadian clock' 'negative feedback' p300 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mBMAL2-TAD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mBMAL2-TAD $mBMAL2-TAD 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_mBMAL2-TAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mBMAL2-TAD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; AMDPEFLGFDVLCDSDSIDM AAFMNYLEAEGGLGDPGDFS DIQWAL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 534 ALA 2 535 MET 3 536 ASP 4 537 PRO 5 538 GLU 6 539 PHE 7 540 LEU 8 541 GLY 9 542 PHE 10 543 ASP 11 544 VAL 12 545 LEU 13 546 CYS 14 547 ASP 15 548 SER 16 549 ASP 17 550 SER 18 551 ILE 19 552 ASP 20 553 MET 21 554 ALA 22 555 ALA 23 556 PHE 24 557 MET 25 558 ASN 26 559 TYR 27 560 LEU 28 561 GLU 29 562 ALA 30 563 GLU 31 564 GLY 32 565 GLY 33 566 LEU 34 567 GLY 35 568 ASP 36 569 PRO 37 570 GLY 38 571 ASP 39 572 PHE 40 573 SER 41 574 ASP 42 575 ILE 43 576 GLN 44 577 TRP 45 578 ALA 46 579 LEU 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 $mBMAL2-TAD Mouse 10090 Eukaryota Metazoa Mus musculus 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 $mBMAL2-TAD 'recombinant technology' . Escherichia coli . pET22b 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 $mBMAL2-TAD 0.3 mM '[U-100% 13C; U-100% 15N]' MES 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] 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_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 50 . mM pH 6.5 . 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 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' '3D HNCACB' '3D CBCA(CO)NH' 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 mBMAL2-TAD _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 1 534 1 ALA CA C 53.182 0.045 1 2 534 1 ALA CB C 19.374 0.032 1 3 535 2 MET H H 8.443 0.002 1 4 535 2 MET CA C 55.003 0.010 1 5 535 2 MET CB C 32.549 0.061 1 6 535 2 MET N N 118.852 0.017 1 7 536 3 ASP H H 8.081 0.003 1 8 536 3 ASP CA C 52.735 0.035 1 9 536 3 ASP CB C 40.951 0.035 1 10 536 3 ASP N N 123.809 0.015 1 11 537 4 PRO CA C 63.759 0.035 1 12 537 4 PRO CB C 32.162 0.017 1 13 538 5 GLU H H 8.518 0.002 1 14 538 5 GLU CA C 57.053 0.036 1 15 538 5 GLU CB C 29.958 0.023 1 16 538 5 GLU N N 120.505 0.007 1 17 539 6 PHE H H 8.038 0.001 1 18 539 6 PHE CA C 57.677 0.021 1 19 539 6 PHE CB C 39.505 0.020 1 20 539 6 PHE N N 121.297 0.017 1 21 540 7 LEU H H 8.050 0.001 1 22 540 7 LEU CA C 55.228 0.035 1 23 540 7 LEU CB C 42.472 0.023 1 24 540 7 LEU N N 125.225 0.034 1 25 541 8 GLY H H 7.526 0.005 1 26 541 8 GLY CA C 45.207 0.019 1 27 541 8 GLY N N 108.867 0.029 1 28 542 9 PHE H H 7.941 0.002 1 29 542 9 PHE CA C 57.613 0.054 1 30 542 9 PHE CB C 39.764 0.033 1 31 542 9 PHE N N 120.202 0.029 1 32 543 10 ASP H H 8.419 0.003 1 33 543 10 ASP CA C 54.386 0.042 1 34 543 10 ASP CB C 41.196 0.039 1 35 543 10 ASP N N 122.421 0.046 1 36 544 11 VAL H H 7.928 0.004 1 37 544 11 VAL CA C 62.423 0.017 1 38 544 11 VAL CB C 32.750 0.022 1 39 544 11 VAL N N 120.850 0.034 1 40 545 12 LEU H H 8.276 0.007 1 41 545 12 LEU CA C 55.069 0.035 1 42 545 12 LEU CB C 42.312 0.035 1 43 545 12 LEU N N 126.129 0.046 1 44 547 14 ASP CA C 54.357 0.024 1 45 547 14 ASP CB C 41.203 0.042 1 46 548 15 SER H H 8.246 0.004 1 47 548 15 SER CA C 59.004 0.057 1 48 548 15 SER CB C 63.797 0.038 1 49 548 15 SER N N 117.293 0.071 1 50 549 16 ASP H H 8.359 0.005 1 51 549 16 ASP CA C 54.778 0.035 1 52 549 16 ASP CB C 41.184 0.029 1 53 549 16 ASP N N 123.002 0.024 1 54 550 17 SER H H 8.094 0.003 1 55 550 17 SER CA C 58.619 0.036 1 56 550 17 SER CB C 63.807 0.047 1 57 550 17 SER N N 116.456 0.040 1 58 551 18 ILE H H 8.003 0.004 1 59 551 18 ILE CA C 61.358 0.043 1 60 551 18 ILE CB C 39.045 0.043 1 61 551 18 ILE N N 123.337 0.025 1 62 552 19 ASP H H 8.331 0.034 1 63 552 19 ASP CA C 54.257 0.002 1 64 552 19 ASP CB C 41.039 0.030 1 65 552 19 ASP N N 124.978 0.016 1 66 553 20 MET H H 8.382 0.003 1 67 553 20 MET CA C 56.150 0.005 1 68 553 20 MET CB C 32.210 0.035 1 69 553 20 MET N N 123.599 0.018 1 70 554 21 ALA H H 8.207 0.034 1 71 554 21 ALA CA C 53.780 0.008 1 72 554 21 ALA CB C 18.702 0.003 1 73 554 21 ALA N N 124.532 0.039 1 74 555 22 ALA H H 7.882 0.002 1 75 555 22 ALA CA C 53.324 0.049 1 76 555 22 ALA CB C 18.766 0.034 1 77 555 22 ALA N N 122.110 0.032 1 78 556 23 PHE H H 7.936 0.004 1 79 556 23 PHE CA C 58.497 0.023 1 80 556 23 PHE CB C 39.473 0.064 1 81 556 23 PHE N N 119.468 0.028 1 82 557 24 MET H H 8.033 0.007 1 83 557 24 MET CA C 55.950 0.032 1 84 557 24 MET CB C 32.416 0.077 1 85 557 24 MET N N 120.952 0.054 1 86 558 25 ASN H H 8.127 0.002 1 87 558 25 ASN CA C 53.793 0.039 1 88 558 25 ASN CB C 38.757 0.018 1 89 558 25 ASN N N 120.020 0.023 1 90 559 26 TYR H H 7.993 0.001 1 91 559 26 TYR CA C 58.695 0.061 1 92 559 26 TYR CB C 38.422 0.058 1 93 559 26 TYR N N 121.885 0.043 1 94 560 27 LEU H H 7.967 0.002 1 95 560 27 LEU CA C 55.531 0.066 1 96 560 27 LEU CB C 42.411 0.043 1 97 560 27 LEU N N 123.771 0.064 1 98 561 28 GLU H H 8.120 0.003 1 99 561 28 GLU CA C 56.968 0.067 1 100 561 28 GLU CB C 30.103 0.036 1 101 561 28 GLU N N 121.992 0.066 1 102 562 29 ALA H H 8.101 0.004 1 103 562 29 ALA CA C 52.841 0.017 1 104 562 29 ALA CB C 19.311 0.043 1 105 562 29 ALA N N 125.252 0.033 1 106 563 30 GLU H H 8.294 0.001 1 107 563 30 GLU CA C 56.815 0.016 1 108 563 30 GLU CB C 30.111 0.021 1 109 563 30 GLU N N 120.802 0.062 1 110 564 31 GLY H H 8.313 0.001 1 111 564 31 GLY CA C 45.535 0.035 1 112 564 31 GLY N N 110.546 0.057 1 113 565 32 GLY H H 8.219 0.002 1 114 565 32 GLY CA C 45.371 0.017 1 115 565 32 GLY N N 109.532 0.018 1 116 566 33 LEU H H 8.165 0.001 1 117 566 33 LEU CA C 55.249 0.019 1 118 566 33 LEU CB C 42.556 0.033 1 119 566 33 LEU N N 122.282 0.018 1 120 567 34 GLY H H 8.340 0.001 1 121 567 34 GLY CA C 44.931 0.006 1 122 567 34 GLY N N 110.342 0.025 1 123 568 35 ASP H H 8.263 0.034 1 124 568 35 ASP CA C 52.267 0.035 1 125 568 35 ASP N N 122.974 0.029 1 126 569 36 PRO CA C 63.718 0.035 1 127 569 36 PRO CB C 32.132 0.035 1 128 570 37 GLY H H 8.452 0.002 1 129 570 37 GLY CA C 45.327 0.026 1 130 570 37 GLY N N 109.411 0.038 1 131 571 38 ASP H H 8.019 0.002 1 132 571 38 ASP CA C 54.209 0.026 1 133 571 38 ASP CB C 41.222 0.042 1 134 571 38 ASP N N 121.144 0.012 1 135 572 39 PHE H H 8.185 0.001 1 136 572 39 PHE CA C 57.748 0.020 1 137 572 39 PHE CB C 39.233 0.011 1 138 572 39 PHE N N 121.806 0.018 1 139 573 40 SER H H 8.170 0.001 1 140 573 40 SER CA C 58.772 0.080 1 141 573 40 SER CB C 63.849 0.040 1 142 573 40 SER N N 118.024 0.034 1 143 574 41 ASP H H 8.275 0.002 1 144 574 41 ASP CA C 54.309 0.014 1 145 574 41 ASP CB C 41.192 0.076 1 146 574 41 ASP N N 123.252 0.014 1 147 575 42 ILE H H 7.862 0.002 1 148 575 42 ILE CA C 61.330 0.025 1 149 575 42 ILE CB C 38.711 0.012 1 150 575 42 ILE N N 121.477 0.041 1 151 576 43 GLN H H 8.218 0.001 1 152 576 43 GLN CA C 55.862 0.027 1 153 576 43 GLN CB C 29.216 0.022 1 154 576 43 GLN N N 124.695 0.051 1 155 577 44 TRP H H 7.925 0.001 1 156 577 44 TRP CA C 56.860 0.063 1 157 577 44 TRP CB C 29.772 0.065 1 158 577 44 TRP N N 122.961 0.019 1 159 578 45 ALA H H 7.949 0.034 1 160 578 45 ALA CA C 52.306 0.027 1 161 578 45 ALA CB C 19.395 0.009 1 162 578 45 ALA N N 126.679 0.031 1 163 579 46 LEU H H 7.652 0.002 1 164 579 46 LEU CA C 56.711 0.035 1 165 579 46 LEU CB C 43.475 0.035 1 166 579 46 LEU N N 128.423 0.037 1 stop_ save_