data_25472 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of mu-SLPTX-Ssm6a ; _BMRB_accession_number 25472 _BMRB_flat_file_name bmr25472.str _Entry_type original _Submission_date 2015-02-06 _Accession_date 2015-02-06 _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 Kim Jaehyun . . 2 Kim 'Jae Il' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-15 original BMRB . stop_ _Original_release_date 2016-02-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of mu-SLPTX-Ssm6a, a Gating Modifier of human Nav1.7 channels ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim 'Jae hyun' . . 2 Kim 'Jae Il' . . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mu-SLPTX-Ssm6a _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 5333.025 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; ADNKCENSLRREIACGQCRD KVKTDGYFYECCTSDSTFKK CQDLLH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 ASN 4 4 LYS 5 5 CYS 6 6 GLU 7 7 ASN 8 8 SER 9 9 LEU 10 10 ARG 11 11 ARG 12 12 GLU 13 13 ILE 14 14 ALA 15 15 CYS 16 16 GLY 17 17 GLN 18 18 CYS 19 19 ARG 20 20 ASP 21 21 LYS 22 22 VAL 23 23 LYS 24 24 THR 25 25 ASP 26 26 GLY 27 27 TYR 28 28 PHE 29 29 TYR 30 30 GLU 31 31 CYS 32 32 CYS 33 33 THR 34 34 SER 35 35 ASP 36 36 SER 37 37 THR 38 38 PHE 39 39 LYS 40 40 LYS 41 41 CYS 42 42 GLN 43 43 ASP 44 44 LEU 45 45 LEU 46 46 HIS 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 centipede 55038 Eukaryota Metazoa Scolopendra subspinipes 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 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'lyophilized powder' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _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' 0 . M pH 3.7 . 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 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 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 NOESY' '2D 1H-1H TOCSY' '2D DQF-COSY' 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 2 2 ASP H H 8.6184 0.01 1 2 2 2 ASP HA H 4.4558 0.01 1 3 2 2 ASP HB2 H 2.5052 0.01 2 4 2 2 ASP HB3 H 2.4456 0.01 2 5 3 3 ASN H H 8.4473 0.01 1 6 3 3 ASN HA H 4.1870 0.01 1 7 3 3 ASN HB2 H 2.8413 0.01 2 8 3 3 ASN HB3 H 2.4910 0.01 2 9 4 4 LYS H H 8.1448 0.01 1 10 4 4 LYS HA H 4.0783 0.01 1 11 4 4 LYS HB2 H 1.8027 0.01 2 12 4 4 LYS HB3 H 1.4019 0.01 2 13 4 4 LYS HG2 H 1.3962 0.01 2 14 4 4 LYS HG3 H 1.5971 0.01 2 15 5 5 CYS H H 8.0632 0.01 1 16 5 5 CYS HA H 3.5696 0.01 1 17 5 5 CYS HB2 H 3.0723 0.01 2 18 6 6 GLU H H 6.9539 0.01 1 19 6 6 GLU HA H 3.3299 0.01 1 20 6 6 GLU HB2 H 2.2104 0.01 2 21 6 6 GLU HG2 H 1.9401 0.01 2 22 6 6 GLU HG3 H 1.8684 0.01 2 23 7 7 ASN H H 7.1286 0.01 1 24 7 7 ASN HA H 4.7942 0.01 1 25 7 7 ASN HB2 H 2.7508 0.01 2 26 7 7 ASN HB3 H 2.6081 0.01 2 27 8 8 SER H H 6.9451 0.01 1 28 8 8 SER HA H 4.6482 0.01 1 29 8 8 SER HB2 H 3.6622 0.01 2 30 9 9 LEU H H 8.6721 0.01 1 31 9 9 LEU HA H 4.2155 0.01 1 32 9 9 LEU HB2 H 1.5796 0.01 2 33 9 9 LEU HB3 H 1.5716 0.01 2 34 9 9 LEU HD1 H 0.8712 0.01 2 35 9 9 LEU HD2 H 0.8533 0.01 2 36 10 10 ARG H H 8.2007 0.01 1 37 10 10 ARG HA H 3.9053 0.01 1 38 10 10 ARG HB2 H 1.7561 0.01 2 39 10 10 ARG HB3 H 1.9508 0.01 2 40 10 10 ARG HG2 H 1.6748 0.01 2 41 10 10 ARG HG3 H 1.5894 0.01 2 42 11 11 ARG H H 7.4854 0.01 1 43 11 11 ARG HA H 3.7619 0.01 1 44 11 11 ARG HB2 H 1.6744 0.01 2 45 11 11 ARG HG2 H 1.1938 0.01 2 46 11 11 ARG HG3 H 1.1263 0.01 2 47 12 12 GLU H H 8.0895 0.01 1 48 12 12 GLU HA H 4.1952 0.01 1 49 12 12 GLU HB2 H 2.4551 0.01 2 50 13 13 ILE H H 8.8286 0.01 1 51 13 13 ILE HA H 3.7198 0.01 1 52 13 13 ILE HB H 1.8059 0.01 1 53 13 13 ILE HG12 H 1.4451 0.01 2 54 13 13 ILE HG13 H 0.8610 0.01 2 55 13 13 ILE HG2 H 1.1544 0.01 1 56 13 13 ILE HD1 H 0.7743 0.01 1 57 14 14 ALA H H 8.0498 0.01 1 58 14 14 ALA HA H 4.2180 0.01 1 59 14 14 ALA HB H 1.6266 0.01 1 60 15 15 CYS H H 9.1064 0.01 1 61 15 15 CYS HA H 5.0299 0.01 1 62 15 15 CYS HB2 H 2.9438 0.01 2 63 15 15 CYS HB3 H 2.7725 0.01 2 64 16 16 GLY H H 8.5452 0.01 1 65 16 16 GLY HA2 H 4.0779 0.01 2 66 16 16 GLY HA3 H 3.8013 0.01 2 67 17 17 GLN H H 8.0315 0.01 1 68 17 17 GLN HA H 4.1531 0.01 1 69 17 17 GLN HB2 H 2.0796 0.01 2 70 17 17 GLN HB3 H 2.3558 0.01 2 71 17 17 GLN HG2 H 2.5615 0.01 2 72 17 17 GLN HG3 H 2.5045 0.01 2 73 18 18 CYS H H 9.2666 0.01 1 74 18 18 CYS HA H 3.6264 0.01 1 75 18 18 CYS HB2 H 3.2025 0.01 2 76 18 18 CYS HB3 H 3.2197 0.01 2 77 19 19 ARG H H 8.7708 0.01 1 78 19 19 ARG HA H 3.7693 0.01 1 79 19 19 ARG HB2 H 2.2922 0.01 2 80 19 19 ARG HB3 H 2.1470 0.01 2 81 19 19 ARG HG2 H 1.8778 0.01 2 82 19 19 ARG HG3 H 1.6052 0.01 2 83 19 19 ARG HD2 H 3.2262 0.01 2 84 19 19 ARG HE H 6.7365 0.01 1 85 20 20 ASP H H 7.4622 0.01 1 86 20 20 ASP HA H 4.3867 0.01 1 87 20 20 ASP HB2 H 2.7162 0.01 2 88 21 21 LYS H H 7.2977 0.01 1 89 21 21 LYS HA H 4.1984 0.01 1 90 21 21 LYS HB2 H 1.8209 0.01 2 91 21 21 LYS HB3 H 1.7088 0.01 2 92 21 21 LYS HG2 H 1.3679 0.01 2 93 21 21 LYS HG3 H 1.4473 0.01 2 94 21 21 LYS HD2 H 1.7035 0.01 2 95 22 22 VAL H H 8.0511 0.01 1 96 22 22 VAL HA H 3.7110 0.01 1 97 22 22 VAL HB H 1.2583 0.01 1 98 22 22 VAL HG1 H 1.2585 0.01 2 99 22 22 VAL HG2 H 0.4121 0.01 2 100 23 23 LYS H H 8.1123 0.01 1 101 23 23 LYS HA H 3.9649 0.01 1 102 23 23 LYS HB2 H 1.8428 0.01 2 103 23 23 LYS HB3 H 1.6108 0.01 2 104 23 23 LYS HG2 H 1.2431 0.01 2 105 23 23 LYS HG3 H 1.0821 0.01 2 106 23 23 LYS HD3 H 1.2517 0.01 2 107 24 24 THR H H 7.2548 0.01 1 108 24 24 THR HA H 4.3847 0.01 1 109 24 24 THR HB H 4.1181 0.01 1 110 24 24 THR HG2 H 1.1984 0.01 1 111 25 25 ASP H H 8.9089 0.01 1 112 25 25 ASP HA H 4.3994 0.01 1 113 25 25 ASP HB3 H 2.6277 0.01 2 114 26 26 GLY H H 8.9482 0.01 1 115 26 26 GLY HA2 H 4.1058 0.01 2 116 26 26 GLY HA3 H 3.9434 0.01 2 117 27 27 TYR H H 7.6603 0.01 1 118 27 27 TYR HA H 3.7699 0.01 1 119 27 27 TYR HB2 H 3.2539 0.01 2 120 27 27 TYR HB3 H 2.7126 0.01 2 121 28 28 PHE H H 9.1314 0.01 1 122 28 28 PHE HA H 3.8482 0.01 1 123 28 28 PHE HB2 H 3.0564 0.01 2 124 29 29 TYR H H 8.2634 0.01 1 125 29 29 TYR HA H 3.6662 0.01 1 126 29 29 TYR HB2 H 3.0753 0.01 2 127 29 29 TYR HB3 H 2.8826 0.01 2 128 30 30 GLU H H 7.6231 0.01 1 129 30 30 GLU HA H 3.5494 0.01 1 130 30 30 GLU HB2 H 1.8688 0.01 2 131 30 30 GLU HB3 H 1.9514 0.01 2 132 30 30 GLU HG2 H 2.3409 0.01 2 133 30 30 GLU HG3 H 2.1930 0.01 2 134 31 31 CYS H H 8.7550 0.01 1 135 31 31 CYS HA H 3.5902 0.01 1 136 31 31 CYS HB2 H 2.9428 0.01 2 137 31 31 CYS HB3 H 2.2932 0.01 2 138 32 32 CYS H H 8.0148 0.01 1 139 32 32 CYS HA H 3.8373 0.01 1 140 32 32 CYS HB2 H 2.9310 0.01 2 141 32 32 CYS HB3 H 2.4576 0.01 2 142 33 33 THR H H 7.1598 0.01 1 143 33 33 THR HA H 4.5151 0.01 1 144 33 33 THR HB H 3.7423 0.01 1 145 33 33 THR HG2 H 0.4929 0.01 1 146 34 34 SER H H 8.4586 0.01 1 147 34 34 SER HA H 4.7905 0.01 1 148 34 34 SER HB2 H 3.9637 0.01 2 149 34 34 SER HB3 H 3.7639 0.01 2 150 35 35 ASP H H 9.3951 0.01 1 151 35 35 ASP HA H 4.4467 0.01 1 152 35 35 ASP HB2 H 2.7611 0.01 2 153 35 35 ASP HB3 H 2.6659 0.01 2 154 36 36 SER H H 8.4107 0.01 1 155 36 36 SER HA H 4.1966 0.01 1 156 36 36 SER HB2 H 3.7792 0.01 2 157 36 36 SER HB3 H 3.7761 0.01 2 158 37 37 THR H H 7.6679 0.01 1 159 37 37 THR HA H 3.9810 0.01 1 160 37 37 THR HB H 3.8552 0.01 1 161 37 37 THR HG2 H 0.8689 0.01 1 162 38 38 PHE H H 8.4126 0.01 1 163 38 38 PHE HA H 4.5921 0.01 1 164 38 38 PHE HB2 H 2.8749 0.01 2 165 38 38 PHE HB3 H 2.8734 0.01 2 166 39 39 LYS H H 8.1896 0.01 1 167 39 39 LYS HA H 3.7108 0.01 1 168 39 39 LYS HB2 H 1.8366 0.01 2 169 39 39 LYS HG2 H 1.3891 0.01 2 170 40 40 LYS H H 7.2512 0.01 1 171 40 40 LYS HA H 4.0312 0.01 1 172 40 40 LYS HB2 H 1.8769 0.01 2 173 40 40 LYS HB3 H 1.9367 0.01 2 174 40 40 LYS HG2 H 1.5897 0.01 2 175 40 40 LYS HG3 H 1.4483 0.01 2 176 41 41 CYS H H 8.1751 0.01 1 177 41 41 CYS HA H 4.5244 0.01 1 178 41 41 CYS HB2 H 3.6451 0.01 2 179 41 41 CYS HB3 H 3.1745 0.01 2 180 42 42 GLN H H 8.0730 0.01 1 181 42 42 GLN HA H 3.6521 0.01 1 182 42 42 GLN HB2 H 1.5813 0.01 2 183 42 42 GLN HB3 H 1.5789 0.01 2 184 42 42 GLN HG2 H 1.9121 0.01 2 185 43 43 ASP H H 7.5667 0.01 1 186 43 43 ASP HA H 4.2669 0.01 1 187 43 43 ASP HB2 H 2.7258 0.01 2 188 43 43 ASP HB3 H 2.6427 0.01 2 189 44 44 LEU H H 7.8267 0.01 1 190 44 44 LEU HA H 4.1266 0.01 1 191 44 44 LEU HB3 H 1.9725 0.01 2 192 44 44 LEU HG H 1.7773 0.01 1 193 44 44 LEU HD1 H 1.2404 0.01 2 194 44 44 LEU HD2 H 1.3901 0.01 2 195 45 45 LEU H H 7.3492 0.01 1 196 45 45 LEU HA H 4.1681 0.01 1 197 45 45 LEU HB2 H 1.8532 0.01 2 198 45 45 LEU HB3 H 1.7377 0.01 2 199 45 45 LEU HG H 1.4606 0.01 1 200 45 45 LEU HD1 H 0.9267 0.01 2 201 45 45 LEU HD2 H 0.6348 0.01 2 202 46 46 HIS H H 7.4187 0.01 1 203 46 46 HIS HA H 4.2704 0.01 1 204 46 46 HIS HB2 H 3.1945 0.01 2 205 46 46 HIS HB3 H 3.1186 0.01 2 stop_ save_