data_16112 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a K+-channel voltage-sensor paddle motif ; _BMRB_accession_number 16112 _BMRB_flat_file_name bmr16112.str _Entry_type new _Submission_date 2009-01-09 _Accession_date 2009-01-09 _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 Unnerstale Sofia . . 2 Lind Jesper . . 3 Papadopoulos Evangelos . . 4 Maler Lena . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-24 update BMRB 'completed entry citation' 2009-05-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the HsapBK K(+) Channel Voltage-Sensor Paddle Sequence' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19456106 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Unnerstale Sofia . . 2 Lind Jesper . . 3 Papadopoulos Evangelos . . 4 Maler Lena . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 48 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5813 _Page_last 5821 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HsapBK(233-260) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HsapBK(233-260) $HsapBK(233-260) 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_HsapBK(233-260) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HsapBK(233-260) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; PVFVSVYLNRSWLGLRFLRA LRLIQFSE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 233 PRO 2 234 VAL 3 235 PHE 4 236 VAL 5 237 SER 6 238 VAL 7 239 TYR 8 240 LEU 9 241 ASN 10 242 ARG 11 243 SER 12 244 TRP 13 245 LEU 14 246 GLY 15 247 LEU 16 248 ARG 17 249 PHE 18 250 LEU 19 251 ARG 20 252 ALA 21 253 LEU 22 254 ARG 23 255 LEU 24 256 ILE 25 257 GLN 26 258 PHE 27 259 SER 28 260 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K44 "Solution Structure Of A K+-Channel Voltage-Sensor Paddle Domain" 100.00 28 100.00 100.00 2.86e-09 DBJ BAA23747 "large conductance calcium-activated potassium channel alpha subunit [Oryctolagus cuniculus]" 100.00 1156 100.00 100.00 2.03e-09 DBJ BAC20639 "stretch-activated Kca channel [Gallus gallus]" 100.00 1172 100.00 100.00 1.61e-09 DBJ BAD06365 "stretch-activated Kca channel [Homo sapiens]" 100.00 1212 100.00 100.00 2.13e-09 DBJ BAD06397 "BK variant stretch-activated Kca channel [Homo sapiens]" 100.00 1195 100.00 100.00 2.12e-09 DBJ BAD92725 "large conductance calcium-activated potassium channel subfamily M alpha member 1 variant [Homo sapiens]" 100.00 590 100.00 100.00 2.05e-08 EMBL CAF98633 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 323 100.00 100.00 1.51e-08 EMBL CAG04818 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 1251 100.00 100.00 1.27e-09 EMBL CBN81508 "Calcium-activated potassium channel subunit alpha-1 [Dicentrarchus labrax]" 100.00 1157 100.00 100.00 1.81e-09 EMBL CDQ56778 "unnamed protein product [Oncorhynchus mykiss]" 100.00 995 100.00 100.00 1.43e-09 EMBL CDQ63989 "unnamed protein product [Oncorhynchus mykiss]" 50.00 54 100.00 100.00 4.74e+00 GB AAA39746 "mSlo [Mus musculus]" 100.00 1196 100.00 100.00 2.01e-09 GB AAA50215 "calcium-activated potassium channel [Mus musculus]" 100.00 1184 100.00 100.00 2.31e-09 GB AAA50216 "calcium-activated potassium channel, partial [Homo sapiens]" 100.00 609 100.00 100.00 2.65e-08 GB AAA84000 "calcium activated potassium channel protein [Canis lupus familiaris]" 100.00 1156 100.00 100.00 1.55e-09 GB AAA85104 "large-conductance calcium-activated potassium channel [Homo sapiens]" 100.00 1178 100.00 100.00 1.56e-09 PRF 2121221A "Ca-activated K channel" 100.00 1178 100.00 100.00 1.54e-09 PRF 2209275A "maxi K channel:SUBUNIT=alpha" 100.00 1113 100.00 100.00 2.60e-09 REF NP_001003300 "calcium-activated potassium channel subunit alpha-1 [Canis lupus familiaris]" 100.00 1156 100.00 100.00 1.55e-09 REF NP_001014797 "calcium-activated potassium channel subunit alpha-1 isoform a [Homo sapiens]" 100.00 1182 100.00 100.00 1.62e-09 REF NP_001027982 "calcium-activated potassium channel subunit alpha-1 [Macaca mulatta]" 100.00 1151 100.00 100.00 2.23e-09 REF NP_001075539 "calcium-activated potassium channel subunit alpha-1 [Oryctolagus cuniculus]" 100.00 1171 100.00 100.00 2.33e-09 REF NP_001079159 "calcium-activated potassium channel subunit alpha-1 [Xenopus laevis]" 100.00 1196 100.00 100.00 1.31e-09 SP O18866 "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" 100.00 1152 100.00 100.00 2.29e-09 SP O18867 "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" 100.00 1151 100.00 100.00 2.23e-09 SP Q08460 "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" 100.00 1209 100.00 100.00 1.55e-09 SP Q12791 "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" 100.00 1236 100.00 100.00 1.53e-09 SP Q28204 "RecName: Full=Calcium-activated potassium channel subunit alpha-1; AltName: Full=BK channel; AltName: Full=BKCA alpha; AltName:" 100.00 1166 100.00 100.00 1.83e-09 TPG DAA14221 "TPA: calcium-activated potassium channel subunit alpha-1 [Bos taurus]" 100.00 1166 100.00 100.00 1.83e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HsapBK(233-260) 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 $HsapBK(233-260) 'chemical synthesis' . . . . . 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 $HsapBK(233-260) 1 mM 'natural abundance' DPC 100 mM '[U-99% 2H]' 'potassium phosphate' 50 mM '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 Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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 temperature 298 . K pH 5.5 . pH pressure 1 . atm 'ionic strength' 50 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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-1H TOCSY' '2D 1H-1H NOESY' 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 HsapBK(233-260) _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 1 233 1 PRO HA H 4.464 0.02 1 2 233 1 PRO HB2 H 1.842 0.02 2 3 233 1 PRO HB3 H 2.432 0.02 2 4 233 1 PRO HD2 H 3.362 0.02 2 5 233 1 PRO HD3 H 3.389 0.02 2 6 233 1 PRO HG2 H 1.945 0.02 2 7 233 1 PRO HG3 H 2.047 0.02 2 8 234 2 VAL H H 8.892 0.02 1 9 234 2 VAL HA H 4.09 0.02 1 10 234 2 VAL HB H 2.06 0.02 1 11 234 2 VAL HG1 H 0.87 0.02 2 12 234 2 VAL HG2 H 0.95 0.02 2 13 235 3 PHE H H 8.566 0.02 1 14 235 3 PHE HA H 4.611 0.02 1 15 235 3 PHE HB2 H 3.137 0.02 2 16 235 3 PHE HB3 H 3.197 0.02 2 17 235 3 PHE HD1 H 7.287 0.02 4 18 235 3 PHE HE1 H 7.214 0.02 4 19 235 3 PHE HE2 H 7.214 0.02 4 20 236 4 VAL H H 7.813 0.02 1 21 236 4 VAL HA H 3.894 0.02 1 22 236 4 VAL HB H 2.097 0.02 1 23 236 4 VAL HG2 H 0.906 0.02 2 24 237 5 SER H H 8.171 0.02 1 25 237 5 SER HA H 4.182 0.02 1 26 237 5 SER HB2 H 3.819 0.02 2 27 237 5 SER HB3 H 3.937 0.02 2 28 238 6 VAL H H 7.725 0.02 1 29 238 6 VAL HA H 3.802 0.02 1 30 238 6 VAL HB H 1.96 0.02 1 31 238 6 VAL HG1 H 0.682 0.02 2 32 238 6 VAL HG2 H 0.794 0.02 2 33 239 7 TYR H H 7.565 0.02 1 34 239 7 TYR HA H 4.228 0.02 1 35 239 7 TYR HB2 H 2.76 0.02 2 36 239 7 TYR HB3 H 2.982 0.02 2 37 239 7 TYR HD1 H 6.861 0.02 4 38 239 7 TYR HE1 H 6.75 0.02 4 39 240 8 LEU H H 7.811 0.02 1 40 240 8 LEU HA H 4.187 0.02 1 41 240 8 LEU HB2 H 1.544 0.02 2 42 240 8 LEU HB3 H 1.745 0.02 2 43 240 8 LEU HD1 H 0.83 0.02 2 44 240 8 LEU HD2 H 0.864 0.02 2 45 241 9 ASN H H 7.562 0.02 1 46 241 9 ASN HA H 4.74 0.02 1 47 241 9 ASN HB2 H 2.758 0.02 2 48 241 9 ASN HD21 H 7.573 0.02 2 49 241 9 ASN HD22 H 6.884 0.02 2 50 242 10 ARG H H 8.329 0.02 1 51 242 10 ARG HA H 4.131 0.02 1 52 242 10 ARG HB2 H 1.827 0.02 2 53 242 10 ARG HB3 H 1.915 0.02 2 54 242 10 ARG HD2 H 3.124 0.02 2 55 242 10 ARG HE H 7.541 0.02 1 56 242 10 ARG HG2 H 1.659 0.02 2 57 242 10 ARG HG3 H 1.736 0.02 2 58 243 11 SER H H 8.254 0.02 1 59 243 11 SER HA H 4.366 0.02 1 60 243 11 SER HB2 H 3.918 0.02 2 61 243 11 SER HB3 H 3.962 0.02 2 62 244 12 TRP H H 8.155 0.02 1 63 244 12 TRP HA H 4.367 0.02 1 64 244 12 TRP HB3 H 3.423 0.02 2 65 244 12 TRP HD1 H 7.405 0.02 4 66 244 12 TRP HE1 H 10.591 0.02 1 67 244 12 TRP HH2 H 7.083 0.02 4 68 244 12 TRP HZ2 H 7.503 0.02 4 69 244 12 TRP HZ3 H 6.96 0.02 4 70 245 13 LEU H H 7.885 0.02 1 71 245 13 LEU HA H 3.959 0.02 1 72 245 13 LEU HB2 H 1.6 0.02 2 73 245 13 LEU HB3 H 1.66 0.02 2 74 245 13 LEU HD1 H 0.85 0.02 2 75 245 13 LEU HD2 H 0.89 0.02 2 76 245 13 LEU HG H 1.457 0.02 1 77 246 14 GLY H H 8.044 0.02 1 78 246 14 GLY HA2 H 4.132 0.02 1 79 246 14 GLY HA3 H 4.132 0.02 1 80 247 15 LEU H H 7.899 0.02 1 81 247 15 LEU HA H 3.962 0.02 1 82 247 15 LEU HB2 H 1.732 0.02 2 83 248 16 ARG H H 7.791 0.02 1 84 248 16 ARG HA H 4.112 0.02 1 85 248 16 ARG HB2 H 1.73 0.02 2 86 248 16 ARG HD2 H 3.18 0.02 2 87 248 16 ARG HD3 H 2.836 0.02 2 88 248 16 ARG HE H 7.499 0.02 1 89 248 16 ARG HG2 H 1.451 0.02 2 90 248 16 ARG HH11 H 6.783 0.02 4 91 248 16 ARG HH12 H 6.783 0.02 4 92 248 16 ARG HH21 H 6.783 0.02 4 93 248 16 ARG HH22 H 6.783 0.02 4 94 249 17 PHE H H 8.272 0.02 1 95 249 17 PHE HA H 4.261 0.02 1 96 249 17 PHE HB2 H 3.182 0.02 2 97 249 17 PHE HB3 H 3.241 0.02 2 98 249 17 PHE HD1 H 7.139 0.02 4 99 249 17 PHE HE1 H 7.1 0.02 4 100 249 17 PHE HE2 H 7.1 0.02 4 101 250 18 LEU H H 8.037 0.02 1 102 250 18 LEU HA H 3.911 0.02 1 103 250 18 LEU HB2 H 1.787 0.02 2 104 250 18 LEU HB3 H 1.87 0.02 2 105 250 18 LEU HD1 H 0.85 0.02 2 106 250 18 LEU HD2 H 0.88 0.02 2 107 250 18 LEU HG H 1.579 0.02 1 108 251 19 ARG H H 7.951 0.02 1 109 251 19 ARG HA H 3.979 0.02 1 110 251 19 ARG HB2 H 1.799 0.02 2 111 251 19 ARG HB3 H 1.91 0.02 2 112 251 19 ARG HD2 H 3.149 0.02 2 113 251 19 ARG HD3 H 3.192 0.02 2 114 251 19 ARG HE H 7.434 0.02 1 115 251 19 ARG HG3 H 1.657 0.02 2 116 252 20 ALA H H 7.793 0.02 1 117 252 20 ALA HA H 4.089 0.02 1 118 252 20 ALA HB H 1.463 0.02 1 119 253 21 LEU H H 7.748 0.02 1 120 253 21 LEU HA H 3.955 0.02 1 121 253 21 LEU HB2 H 1.648 0.02 2 122 253 21 LEU HB3 H 1.704 0.02 2 123 253 21 LEU HD1 H 0.746 0.02 2 124 253 21 LEU HD2 H 0.844 0.02 2 125 253 21 LEU HG H 1.535 0.02 1 126 254 22 ARG H H 7.684 0.02 1 127 254 22 ARG HA H 4.106 0.02 1 128 254 22 ARG HB2 H 1.84 0.02 2 129 254 22 ARG HB3 H 1.89 0.02 2 130 254 22 ARG HD3 H 3.186 0.02 2 131 254 22 ARG HE H 7.421 0.02 1 132 254 22 ARG HG2 H 1.801 0.02 1 133 254 22 ARG HG3 H 1.712 0.02 2 134 255 23 LEU H H 7.736 0.02 1 135 255 23 LEU HA H 4.226 0.02 1 136 255 23 LEU HB2 H 1.613 0.02 2 137 255 23 LEU HB3 H 1.898 0.02 2 138 255 23 LEU HD1 H 0.888 0.02 2 139 255 23 LEU HD2 H 0.937 0.02 2 140 255 23 LEU HG H 1.793 0.02 1 141 256 24 ILE H H 7.42 0.02 1 142 256 24 ILE HA H 3.997 0.02 1 143 256 24 ILE HB H 1.912 0.02 1 144 256 24 ILE HD1 H 0.772 0.02 1 145 256 24 ILE HG12 H 1.131 0.02 1 146 256 24 ILE HG13 H 1.57 0.02 1 147 256 24 ILE HG2 H 0.836 0.02 1 148 257 25 GLN H H 7.971 0.02 1 149 257 25 GLN HA H 4.243 0.02 1 150 257 25 GLN HB2 H 1.923 0.02 2 151 257 25 GLN HB3 H 1.971 0.02 2 152 257 25 GLN HE21 H 7.378 0.02 2 153 257 25 GLN HE22 H 6.699 0.02 2 154 257 25 GLN HG2 H 2.191 0.02 2 155 257 25 GLN HG3 H 2.231 0.02 2 156 258 26 PHE H H 8.167 0.02 1 157 258 26 PHE HA H 4.68 0.02 1 158 258 26 PHE HB2 H 3.009 0.02 2 159 258 26 PHE HB3 H 3.214 0.02 2 160 258 26 PHE HD1 H 7.288 0.02 4 161 258 26 PHE HE1 H 7.29 0.02 4 162 259 27 SER H H 8.096 0.02 1 163 259 27 SER HA H 4.431 0.02 1 164 259 27 SER HB3 H 3.85 0.02 2 165 260 28 GLU H H 7.889 0.02 1 166 260 28 GLU HA H 4.165 0.02 1 167 260 28 GLU HB2 H 1.911 0.02 2 168 260 28 GLU HB3 H 2.097 0.02 2 169 260 28 GLU HG3 H 2.316 0.02 2 stop_ loop_ _Atom_shift_assign_ID_ambiguity 17 '18,19' '37,38' '65,67,68,69' '90,91,92,93' '98,99,100' '160,161' stop_ save_