Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12119 | Target Info | |||
| Target Name | Voltage-gated sodium channel alpha Nav1.7 (SCN9A) | ||||
| Synonyms | hNE-Na; Voltage-gated sodium channel subunit alpha Nav1.7; Sodium channel proteintype IX subunit alpha; Sodium channel proteintype 9 subunit alpha; Sodium channel protein type IX subunit alpha; Sodium channel protein type 9 subunit alpha; Peripheral sodium channel 1; PN1; Neuroendocrine sodium channel; NENA | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SCN9A | ||||
| Biochemical Class | Voltage-gated ion channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Digitonin | Ligand Info | |||
| Canonical SMILES | CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 | ||||
| InChI | 1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1 | ||||
| InChIKey | UVYVLBIGDKGWPX-KUAJCENISA-N | ||||
| PubChem Compound ID | 6474107 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6NT3 Cryo-EM structure of a human-cockroach hybrid Nav channel. | ||||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | No | [1] |
| PDB Sequence |
ANKDRDGSAH
61 PDQALEQGSR71 LPARMRNIFP81 AELASNKKTF102 VVVTKASGEK118 SLWMLDPFTP 128 IRRVAISTMV138 QPIFSYFIMI148 TILIHCIFMI158 MPATQTTYIL168 ELVFLSIYTI 178 EVVVKVLARG188 FILHPFAYLR198 DPWNWLDFLV208 TLIGYITLVV218 DLGHLYALRA 228 FRVLRSWRTV238 TIVPGWRTIV248 DALSLSITSL258 KDLVLLLLFS268 LSVFALIGLQ 278 LFMGNLKHKC288 VKHFPADGSW298 GNFTDERWFN308 YTSNSSHWYI318 PDDWIEYPLC 328 GNSSGAGMCP338 PGYTCLQGYG348 GNPNYGYTSF358 DTFGWAFLSV368 FRLVTLDYWE 378 DLYQLALRSA388 GPWHILFFII398 VVFYGTFCFL408 NFILAVVVMS418 YTHMVKRADE 428 EKAAECVPWQ506 KLQGAIGAVV516 LSPFFELFIA526 VIIVLNITFM536 ALDHHDMNIE 546 FERILRTGNY556 IFTSIYIVEA566 VLKIIALSPK576 FYFKDSWNVF586 DFIIVVFAIL 596 ELGLEGVQGL606 SVFRSFRLLR616 VFRLAKFWPT626 LNNFMSVMTK636 SYGAFVNVMY 646 VMFLLLFIFA656 IIGMQLFGMN666 YIDNMERFPD676 GDLPRWNFTD686 FLHSFMIVFR 696 ALCGEWIESM706 WDCMLVGDWS716 CIPFFVAVFF726 VGNLVILNLL736 IALLLNNYGS 837 VQRMWSNIRR847 VCFLLAKNKY857 FQKFVTAVLV867 ITSVLLALED877 IYLPQRPVLV 887 NITLYVDYVL897 TAFFVIEMII907 MLFAVGFKKY917 FTSKWYWLDF927 IVVVAYLLNF 937 VLMCAGIEAL947 QTLRLLRVFR957 LFRPLSKVNG967 MQVVTSTLVE977 AVPHIFNVIL 987 VGIFFWLVFA997 IMGVQLFAGK1007 FYKCVDENST1017 VLSHEITMDR1027 NDCLHENYTW 1037 ENSPMNFDHV1047 GNAYLSLLQV1057 ATFKGWLQIM1067 NDAIDSREVH1077 KQPIRETNIY 1087 MYLYFIFFIV1097 FGSFFILKLF1107 VCILIDIFRQ1117 QRRKAEGLSA1127 TDSRTQLIYR 1137 RAVMRTMSAK1147 PVKRIPKPGN1157 KIQGCIFDLV1167 TNQAFDISIM1177 VLICLNMVTM 1187 MVEKEGQSQH1197 MTEVLYWINV1207 VFIILFTGEC1217 VLKLISLRHY1227 YFTVGWNIFD 1237 FVVVIISIVG1247 MFLADLIETY1257 FVSPTLFRVI1267 RLARIGRILR1277 LVKGAKGIRL 1287 LLLALRKALR1297 TLFNVSFLLF1307 VIMFVYAVFG1317 MEFFMHIRDA1327 GAIDDVYNFK 1337 TFGQSIILLF1347 QLATSAGWDG1357 VYFAIANEED1367 CRAPDHELGY1377 PGNCGSRALG 1387 IAYLVSYLII1397 TCLVVINMYA1407 AVILDYVLEV1417 YEDSKEGLTD1427 DDYDMFFEVW 1437 QQFDPEATQY1447 IRYDQLSELL1457 EALQPPLQVQ1467 KPNKYKILSM1477 NIPICKDDHI 1487 FYKDVLEALV1497 KDVFSRRG
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| PDB ID: 6NT4 Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2. | ||||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
ANKDRDGSAH
61 PDQALEQGSR71 LPARMRNIFP81 AELASKKTFV103 VVTKAGDFSG116 EKSLWMLDPF 126 TPIRRVAIST136 MVQPIFSYFI146 MITILIHCIF156 MIMPATQTTY166 ILELVFLSIY 176 TIEVVVKVLA186 RGFILHPFAY196 LRDPWNWLDF206 LVTLIGYITL216 VVDLGHLYAL 226 RAFRVLRSWR236 TVTIVPGWRT246 IVDALSLSIT256 SLKDLVLLLL266 FSLSVFALIG 276 LQLFMGNLKH286 KCVKHFPADG296 SWGNFTDERW306 FNYTSNSSHW316 YIPDDWIEYP 326 LCGNSSGAGM336 CPPGYTCLQG346 YGGNPNYGYT356 SFDTFGWAFL366 SVFRLVTLDY 376 WEDLYQLALR386 SAGPWHILFF396 IIVVFYGTFC406 FLNFILAVVV416 MSYTHMVKRA 426 DEEKAAECVP504 WQKLQGAIGA514 VVLSPFFELF524 IAVIIVLNIT534 FMALDHHDMN 544 IEFERILRTG554 NYIFTSIYIV564 EAVLKIIALS574 PKFYFKDSWN584 VFDFIIVVFA 594 ILELGLEGVQ604 SVFRSFRLLR616 VFRLAKFWPT626 LNNFMSVMTK636 SYGAFVNVMY 646 VMFLLLFIFA656 IIGMQLFGMN666 YIDNMERFPD676 GDLPRWNFTD686 FLHSFMIVFR 696 ALCGEWIESM706 WDCMLVGDWS716 CIPFFVAVFF726 VGNLVILNLL736 IALLLNNYGS 837 VQRMWSNIRR847 VCFLLAKNKY857 FQKFVTAVLV867 ITSVLLALED877 IYLPQRPVLV 887 NITLYVDYVL897 TAFFVIEMII907 MLFAVGFKKY917 FTSKWYWLDF927 IVVVAYLLNF 937 VLMCAGIEAL947 QTLRLLRVFR957 LFRPLSKVNG967 MQVVTSTLVE977 AVPHIFNVIL 987 VGIFFWLVFA997 IMGVQLFAGK1007 FYKCVDENST1017 VLSHEITMDR1027 NDCLHENYTW 1037 ENSPMNFDHV1047 GNAYLSLLQV1057 ATFKGWLQIM1067 NDAIDSREVH1077 KQPIRETNIY 1087 MYLYFIFFIV1097 FGSFFILKLF1107 VCILIDIFRQ1117 QRRKAEGLSA1127 TDSRTQLIYR 1137 RAVMRTMSAK1147 PVKRIPKPGN1157 KIQGCIFDLV1167 TNQAFDISIM1177 VLICLNMVTM 1187 MVEKEGQSQH1197 MTEVLYWINV1207 VFIILFTGEC1217 VLKLISLRHY1227 YFTVGWNIFD 1237 FVVVIISIVG1247 MFLADLIETY1257 FVSPTLFRVI1267 RLARIGRILR1277 LVKGAKGIRL 1287 LLLALRKALR1297 TLFNVSFLLF1307 VIMFVYAVFG1317 MEFFMHIRDA1327 GAIDDVYNFK 1337 TFGQSIILLF1347 QLATSAGWDG1357 VYFAIANEED1367 CRAPDHELGY1377 PGNCGSRALG 1387 IAYLVSYLII1397 TCLVVINMYA1407 AVILDYVLEV1417 YEDSKEGLTD1427 DDYDMFFEVW 1437 QQFDPEATQY1447 IRYDQLSELL1457 EALQPPLQVQ1467 KPNKYKILSM1477 NIPICKDDHI 1487 FYKDVLEALV1497 KDVFSRRG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM structures of a human-cockroach hybrid Nav channel in the presence and absence of the alpha-scorpion toxin AaH2. | ||||
| REF 2 | Structural basis of Alpha-scorpion toxin action on Na(v) channels. Science. 2019 Mar 22;363(6433):eaav8573. | ||||
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