data_27836 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, and 13C Chemical Shifts of Myosin VI Medial Tail Domain ; _BMRB_accession_number 27836 _BMRB_flat_file_name bmr27836.str _Entry_type original _Submission_date 2019-03-14 _Accession_date 2019-03-14 _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 Barnes 'C. Ashley' . . 2 Shen Yang . . 3 Ying Jinfa . . 4 Takagi Yasuharu . . 5 Torchia Dennis A. . 6 Sellers James R. . 7 Bax Ad . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 67 "13C chemical shifts" 118 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-26 original BMRB . stop_ _Original_release_date 2019-03-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Remarkable Rigidity of the Single alpha-Helical Domain of Myosin-VI As Revealed by NMR Spectroscopy. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31117653 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barnes 'C. Ashley' . . 2 Shen Yang . . 3 Ying Jinfa . . 4 Takagi Yasuharu . . 5 Torchia Dennis A. . 6 Sellers James R. . 7 Bax Ad . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 141 _Journal_issue 22 _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9004 _Page_last 9017 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MT Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MT Domain' $MT_Domain stop_ _System_molecular_weight 8915 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MT_Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MT_Domain _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; KQQEEEAERLRRIQEEMEKE RKRREEDEQRRRKEEEERRM KLEMEAKRKQEEEERKKRED DEKRIQAE ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 GLN 3 GLN 4 GLU 5 GLU 6 GLU 7 ALA 8 GLU 9 ARG 10 LEU 11 ARG 12 ARG 13 ILE 14 GLN 15 GLU 16 GLU 17 MET 18 GLU 19 LYS 20 GLU 21 ARG 22 LYS 23 ARG 24 ARG 25 GLU 26 GLU 27 ASP 28 GLU 29 GLN 30 ARG 31 ARG 32 ARG 33 LYS 34 GLU 35 GLU 36 GLU 37 GLU 38 ARG 39 ARG 40 MET 41 LYS 42 LEU 43 GLU 44 MET 45 GLU 46 ALA 47 LYS 48 ARG 49 LYS 50 GLN 51 GLU 52 GLU 53 GLU 54 GLU 55 ARG 56 LYS 57 LYS 58 ARG 59 GLU 60 ASP 61 ASP 62 GLU 63 LYS 64 ARG 65 ILE 66 GLN 67 ALA 68 GLU 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 $MT_Domain pig 9823 Eukaryota Metazoa Sus scrofa 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 $MT_Domain 'recombinant technology' . Escherichia coli . pET24a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH = 6.3, 20 C' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' EDTA 2 mM 'natural abundance' $MT_Domain 1 mM '[U-13C; U-15N; U-2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' EDTA 2 mM 'natural abundance' $MT_Domain 1 mM '[U-100% 2H; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_4D_HN-HN_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HN-HN NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _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 . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.3 . pH pressure 1 . atm temperature 273 . 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_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '4D HN-HN NOESY' '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 'MT Domain' _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 2 2 GLN H H 8.79 . . 2 2 2 GLN N N 120.01 . . 3 3 3 GLN H H 8.18 . . 4 3 3 GLN N N 119.71 . . 5 4 4 GLU H H 8.26 . . 6 4 4 GLU CA C 57.56 . . 7 4 4 GLU CB C 27.81 . . 8 4 4 GLU N N 121.70 . . 9 5 5 GLU H H 8.54 . . 10 5 5 GLU CA C 57.80 . . 11 5 5 GLU CB C 28.93 . . 12 5 5 GLU N N 121.30 . . 13 6 6 GLU H H 8.23 . . 14 6 6 GLU CA C 58.53 . . 15 6 6 GLU CB C 28.75 . . 16 6 6 GLU N N 121.78 . . 17 7 7 ALA H H 8.18 . . 18 7 7 ALA CA C 54.71 . . 19 7 7 ALA CB C 17.31 . . 20 7 7 ALA N N 121.00 . . 21 8 8 GLU H H 7.89 . . 22 8 8 GLU CA C 58.21 . . 23 8 8 GLU CB C 28.45 . . 24 8 8 GLU N N 118.95 . . 25 9 9 ARG H H 8.03 . . 26 9 9 ARG CA C 59.24 . . 27 9 9 ARG CB C 29.36 . . 28 9 9 ARG N N 121.40 . . 29 10 10 LEU H H 8.14 . . 30 10 10 LEU CA C 57.28 . . 31 10 10 LEU CB C 40.47 . . 32 10 10 LEU N N 118.02 . . 33 11 11 ARG H H 7.99 . . 34 11 11 ARG CA C 58.87 . . 35 11 11 ARG CB C 28.99 . . 36 11 11 ARG N N 120.78 . . 37 12 12 ARG H H 8.18 . . 38 12 12 ARG CA C 58.89 . . 39 12 12 ARG CB C 28.93 . . 40 12 12 ARG N N 119.49 . . 41 13 13 ILE H H 7.93 . . 42 13 13 ILE CA C 64.46 . . 43 13 13 ILE CB C 37.36 . . 44 13 13 ILE N N 120.12 . . 45 14 14 GLN H H 8.01 . . 46 14 14 GLN CA C 58.55 . . 47 14 14 GLN CB C 27.26 . . 48 14 14 GLN N N 119.92 . . 49 15 15 GLU H H 8.43 . . 50 15 15 GLU CA C 59.04 . . 51 15 15 GLU CB C 28.78 . . 52 15 15 GLU N N 120.35 . . 53 16 16 GLU H H 8.30 . . 54 16 16 GLU CA C 58.83 . . 55 16 16 GLU CB C 28.52 . . 56 16 16 GLU N N 120.27 . . 57 17 17 MET H H 8.37 . . 58 17 17 MET CA C 58.45 . . 59 17 17 MET CB C 31.75 . . 60 17 17 MET N N 119.82 . . 61 18 18 GLU H H 8.18 . . 62 18 18 GLU CA C 58.45 . . 63 18 18 GLU CB C 28.52 . . 64 18 18 GLU N N 121.31 . . 65 19 19 LYS H H 8.07 . . 66 19 19 LYS CA C 59.27 . . 67 19 19 LYS CB C 31.50 . . 68 19 19 LYS N N 120.34 . . 69 20 20 GLU H H 8.03 . . 70 20 20 GLU CA C 58.44 . . 71 20 20 GLU CB C 28.44 . . 72 20 20 GLU N N 120.00 . . 73 21 21 ARG H H 8.16 . . 74 21 21 ARG CA C 59.23 . . 75 21 21 ARG CB C 28.86 . . 76 21 21 ARG N N 121.13 . . 77 22 22 LYS H H 8.16 . . 78 22 22 LYS CA C 58.77 . . 79 22 22 LYS CB C 31.26 . . 80 22 22 LYS N N 119.07 . . 81 23 23 ARG H H 7.96 . . 82 23 23 ARG CA C 58.72 . . 83 23 23 ARG CB C 29.04 . . 84 23 23 ARG N N 120.06 . . 85 24 24 ARG H H 8.22 . . 86 24 24 ARG CA C 58.86 . . 87 24 24 ARG CB C 29.11 . . 88 24 24 ARG N N 119.34 . . 89 25 25 GLU H H 8.25 . . 90 25 25 GLU CA C 58.86 . . 91 25 25 GLU CB C 28.84 . . 92 25 25 GLU N N 120.27 . . 93 26 26 GLU H H 8.34 . . 94 26 26 GLU CA C 58.89 . . 95 26 26 GLU CB C 28.63 . . 96 26 26 GLU N N 120.49 . . 97 27 27 ASP H H 8.36 . . 98 27 27 ASP CA C 57.07 . . 99 27 27 ASP CB C 40.41 . . 100 27 27 ASP N N 121.07 . . 101 28 28 GLU H H 8.24 . . 102 28 28 GLU CA C 58.85 . . 103 28 28 GLU CB C 28.48 . . 104 28 28 GLU N N 120.37 . . 105 29 29 GLN H H 8.18 . . 106 29 29 GLN CA C 58.47 . . 107 29 29 GLN CB C 27.35 . . 108 29 29 GLN N N 118.99 . . 109 30 30 ARG H H 8.15 . . 110 30 30 ARG N N 121.12 . . 111 31 31 ARG H H 8.18 . . 112 31 31 ARG CA C 59.06 . . 113 31 31 ARG CB C 29.06 . . 114 31 31 ARG N N 119.71 . . 115 32 32 ARG H H 8.20 . . 116 32 32 ARG CA C 58.86 . . 117 32 32 ARG CB C 29.12 . . 118 32 32 ARG N N 119.43 . . 119 33 33 LYS H H 8.03 . . 120 33 33 LYS CA C 58.75 . . 121 33 33 LYS CB C 31.18 . . 122 33 33 LYS N N 120.87 . . 123 34 34 GLU H H 8.29 . . 124 34 34 GLU CA C 58.92 . . 125 34 34 GLU CB C 28.63 . . 126 34 34 GLU N N 119.59 . . 127 35 35 GLU H H 8.22 . . 128 35 35 GLU CA C 58.79 . . 129 35 35 GLU CB C 28.52 . . 130 35 35 GLU N N 120.36 . . 131 36 36 GLU H H 8.19 . . 132 36 36 GLU CA C 58.81 . . 133 36 36 GLU CB C 28.67 . . 134 36 36 GLU N N 121.06 . . 135 37 37 GLU H H 8.31 . . 136 37 37 GLU CA C 59.05 . . 137 37 37 GLU CB C 28.65 . . 138 37 37 GLU N N 119.84 . . 139 38 38 ARG H H 8.07 . . 140 38 38 ARG CA C 59.13 . . 141 38 38 ARG CB C 29.05 . . 142 38 38 ARG N N 120.34 . . 143 39 39 ARG H H 8.17 . . 144 39 39 ARG N N 119.78 . . 145 40 40 MET H H 8.33 . . 146 40 40 MET N N 118.77 . . 147 41 41 LYS H H 8.07 . . 148 41 41 LYS N N 120.65 . . 149 42 42 LEU H H 7.99 . . 150 42 42 LEU CA C 57.54 . . 151 42 42 LEU CB C 40.71 . . 152 42 42 LEU N N 120.13 . . 153 43 43 GLU H H 8.27 . . 154 43 43 GLU CA C 58.83 . . 155 43 43 GLU CB C 28.71 . . 156 43 43 GLU N N 120.90 . . 157 44 44 MET H H 8.32 . . 158 44 44 MET CA C 59.14 . . 159 44 44 MET CB C 31.45 . . 160 44 44 MET N N 119.53 . . 161 45 45 GLU H H 8.21 . . 162 45 45 GLU CA C 58.56 . . 163 45 45 GLU CB C 28.60 . . 164 45 45 GLU N N 120.73 . . 165 46 46 ALA H H 8.09 . . 166 46 46 ALA CA C 54.44 . . 167 46 46 ALA CB C 17.18 . . 168 46 46 ALA N N 122.50 . . 169 47 47 LYS H H 8.03 . . 170 47 47 LYS CA C 58.46 . . 171 47 47 LYS CB C 31.40 . . 172 47 47 LYS N N 119.93 . . 173 48 48 ARG H H 8.06 . . 174 48 48 ARG CA C 58.49 . . 175 48 48 ARG CB C 28.99 . . 176 48 48 ARG N N 120.05 . . 177 49 49 LYS H H 8.12 . . 178 49 49 LYS CA C 58.61 . . 179 49 49 LYS CB C 31.39 . . 180 49 49 LYS N N 119.76 . . 181 50 50 GLN H H 7.98 . . 182 50 50 GLN CA C 58.48 . . 183 50 50 GLN CB C 27.32 . . 184 50 50 GLN N N 119.68 . . 185 51 51 GLU H H 8.31 . . 186 51 51 GLU CA C 58.68 . . 187 51 51 GLU CB C 28.62 . . 188 51 51 GLU N N 119.70 . . 189 52 52 GLU H H 8.19 . . 190 52 52 GLU CA C 58.55 . . 191 52 52 GLU CB C 28.73 . . 192 52 52 GLU N N 120.43 . . 193 53 53 GLU H H 8.21 . . 194 53 53 GLU CA C 58.59 . . 195 53 53 GLU CB C 28.71 . . 196 53 53 GLU N N 120.13 . . 197 54 54 GLU H H 8.26 . . 198 54 54 GLU CA C 58.42 . . 199 54 54 GLU CB C 28.67 . . 200 54 54 GLU N N 119.83 . . 201 55 55 ARG H H 8.07 . . 202 55 55 ARG N N 120.59 . . 203 56 56 LYS H H 8.01 . . 204 56 56 LYS CA C 58.13 . . 205 56 56 LYS CB C 31.52 . . 206 56 56 LYS N N 119.58 . . 207 57 57 LYS H H 7.83 . . 208 57 57 LYS CA C 57.98 . . 209 57 57 LYS CB C 31.57 . . 210 57 57 LYS N N 119.30 . . 211 58 58 ARG H H 7.89 . . 212 58 58 ARG N N 118.95 . . 213 59 59 GLU H H 8.22 . . 214 59 59 GLU CA C 57.70 . . 215 59 59 GLU CB C 29.04 . . 216 59 59 GLU N N 119.78 . . 217 60 60 ASP H H 8.35 . . 218 60 60 ASP CA C 55.49 . . 219 60 60 ASP CB C 40.27 . . 220 60 60 ASP N N 120.28 . . 221 61 61 ASP H H 8.28 . . 222 61 61 ASP CA C 55.54 . . 223 61 61 ASP CB C 40.27 . . 224 61 61 ASP N N 120.62 . . 225 62 62 GLU H H 8.10 . . 226 62 62 GLU CA C 57.32 . . 227 62 62 GLU CB C 29.05 . . 228 62 62 GLU N N 119.64 . . 229 63 63 LYS H H 7.90 . . 230 63 63 LYS CA C 56.46 . . 231 63 63 LYS CB C 31.55 . . 232 63 63 LYS N N 119.18 . . 233 64 64 ARG H H 7.89 . . 234 64 64 ARG CA C 56.33 . . 235 64 64 ARG CB C 29.64 . . 236 64 64 ARG N N 120.44 . . 237 65 65 ILE H H 8.02 . . 238 65 65 ILE CA C 61.05 . . 239 65 65 ILE CB C 37.59 . . 240 65 65 ILE N N 120.95 . . 241 66 66 GLN H H 8.28 . . 242 66 66 GLN CA C 55.31 . . 243 66 66 GLN CB C 28.68 . . 244 66 66 GLN N N 123.61 . . 245 67 67 ALA H H 8.23 . . 246 67 67 ALA CA C 52.04 . . 247 67 67 ALA CB C 18.68 . . 248 67 67 ALA N N 125.85 . . 249 68 68 GLU H H 7.95 . . 250 68 68 GLU CA C 57.54 . . 251 68 68 GLU CB C 30.36 . . 252 68 68 GLU N N 125.34 . . stop_ save_