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 | Cholesterol | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ||||
| InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | ||||
| InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N | ||||
| PubChem Compound ID | 5997 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7XVE Human Nav1.7 mutant class-I | ||||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPQSFVHFTK
17 QSLALIEQRI27 AERKSKEPKP49 SSDLEAGKQL59 PFIYGDIPPG69 MVSEPLEDLD 79 PYYADKKTFI89 VLNKGKTIFR99 FNATPALYML109 SPFSPLRRIS119 IKILVHSLFS 129 MLIMCTILTN139 CIFMTMNNPP149 DWTKNVKYTF159 TGIYTFESLV169 KILARGFCVG 179 EFTFLRDPWN189 WLDFVVIVFA199 YLTEFVNLGN209 VSALRTFRVL219 RALKTISVIP 229 GLKTIVGALI239 QSVKKLSDVM249 ILTVFCLSVF259 ALIGLQLFMG269 NLKHKCFRNS 279 LENNETLESI289 MNTLESEEDF299 RKYFYYLEGS309 KDALLCGFST319 DSGQCPEGYT 329 CVKIGRNPDY339 GYTSFDTFSW349 AFLALFRLMT359 QDYWENLYQQ369 TLRAAGKTYM 379 IFFVVVIFLG389 SFYLINLILA399 VVAMAYEEQN409 QANIEEAKQK419 ELEFQQMLCS 727 PYWIKFKKCI737 YFIVMDPFVD747 LAITICIVLN757 TLFMAMEHHP767 MTEEFKNVLA 777 IRNLVFTGIF787 AAEMVLKLIA797 MDPYEYFQVG807 WNIFDSLIVT817 LSLVELFGLS 832 VLRSFRLLRV842 FKLAKSWPTL852 NMLIKIIGNS862 VGAFGNLMLV872 LFIIVFIFAV 882 VGMQLFGKSY892 KECVCKINDD902 CTLPRWHMND912 FFHSFLIVFR922 VLCGEWIETM 932 WDCMEVAGQA942 MCLIFYMMVF952 FIGNLVVLNL962 FLALLLSSFS972 SDANNLQIAV 992 TRIKKGINYV1002 KQTLREFILK1012 AFGKIWWNIR1182 KTCYKIVEHS1192 WFESFIVLMI 1202 LLSSGALAFE1212 DIYIERKKTI1222 KIILEYADKI1232 FTYIFILEML1242 LKWIAYGYKT 1252 YFTNAWCWLD1262 FLIVDVSLVT1272 LVANTLGYSD1282 LGPIKSLRTL1292 RALRPLRALS 1302 RFEGMRVVVN1312 ALIGAIPSIM1322 NVLLVCLIFW1332 LIFSIMGVNL1342 FAGKFYECIN 1352 TTDGSRFPAS1362 QVPNRSECFA1372 LMNVSQNVRW1382 KNLKVNFDNV1392 GLGYLSLLQV 1402 ATFKGWTIIM1412 YAAVDSVNVD1422 KQPKYEYSLY1432 MYIYFIFFII1442 FGSFFTLNLF 1452 ICVIIDNFNQ1462 QKKKLGGQDI1472 FMTEEQKKYY1482 NAMKKLGSKK1492 PQKPIPRPGN 1502 KIQGCIFDLV1512 TNQAFDISIM1522 VLICLNMVTM1532 MVEKEGQSQH1542 MTEVLYWINV 1552 VFIILFTGEC1562 VLKLISLRHY1572 YFTVGWNIFD1582 FVVVIISIVG1592 MFLADLIETY 1602 FVSPTLFRVI1612 RLARIGRILR1622 LVKGAKGIRT1632 LLFALMMSLP1642 ALFNIGLLLF 1652 LVMFIYAIFG1662 MSNFAYVKKE1672 DGINDMFNFE1682 TFGNSMICLF1692 QITTSAGWDG 1702 LLAPILNSKP1712 PDCDPKKVHP1722 GSSVEGDCGN1732 PSVGIFYFVS1742 YIIISFLVVV 1752 NMYIAVILEN1762 FSVATE
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ILE228
3.871
PRO229
3.991
VAL833
4.037
PHE837
4.057
VAL863
4.228
GLY864
3.761
GLY867
3.422
ASN868
3.461
MET870
3.826
LEU871
3.901
PHE874
2.515
TYR1250
3.690
LYS1251
3.841
PHE1254
3.525
THR1255
3.430
ASN1256
4.180
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| PDB ID: 7XVF Nav1.7 mutant class2 | ||||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPQSFVHFTK
17 QSLALIEQRI27 AERKSKEPKP49 SSDLEAGKQL59 PFIYGDIPPG69 MVSEPLEDLD 79 PYYADKKTFI89 VLNKGKTIFR99 FNATPALYML109 SPFSPLRRIS119 IKILVHSLFS 129 MLIMCTILTN139 CIFMTMNNPP149 DWTKNVKYTF159 TGIYTFESLV169 KILARGFCVG 179 EFTFLRDPWN189 WLDFVVIVFA199 YLTEFVNVSA212 LRTFRVLRAL222 KTISVIPGLK 232 TIVGALIQSV242 KKLSDVMILT252 VFCLSVFALI262 GLQLFMGNLK272 HKCFRNSLEN 282 NETLESIMNT292 LESEEDFRKY302 FYYLEGSKDA312 LLCGFSTDSG322 QCPEGYTCVK 332 IGRNPDYGYT342 SFDTFSWAFL352 ALFRLMTQDY362 WENLYQQTLR372 AAGKTYMIFF 382 VVVIFLGSFY392 LINLILAVVA402 MAYEEQNQAN412 IEEAKCSPYW730 IKFKKCIYFI 740 VMDPFVDLAI750 TICIVLNTLF760 MAMEHHPMTE770 EFKNVLAIRN780 LVFTGIFAAE 790 MVLKLIAMDP800 YEYFQVGWNI810 FDSLIVTLSL820 VELFGLSVLR835 SFRLLRVFKL 845 AKSWPTLNML855 IKIIGNSVGA865 FGNLMLVLFI875 IVFIFAVVGM885 QLFGKSYKEC 895 VCKINDDCTL905 PRWHMNDFFH915 SFLIVFRVLC925 GEWIETMWDC935 MEVAGQAMCL 945 IFYMMVFFIG955 NLVVLNLFLA965 LLLSSFSANN987 LQIAVTRIKK997 GINYVKQTLR 1007 EFILKAFGKI1177 WWNIRKTCYK1187 IVEHSWFESF1197 IVLMILLSSG1207 ALAFEDIYIE 1217 RKKTIKIILE1227 YADKIFTYIF1237 ILEMLLKWIA1247 YGYKTYFTNA1257 WCWLDFLIVD 1267 VSLVTLVANT1277 LGYSDLGPIK1287 SLRTLRALRP1297 LRALSRFEGM1307 RVVVNALIGA 1317 IPSIMNVLLV1327 CLIFWLIFSI1337 MGVNLFAGKF1347 YECINTTDGS1357 RFPASQVPNR 1367 SECFALMNVS1377 QNVRWKNLKV1387 NFDNVGLGYL1397 SLLQVATFKG1407 WTIIMYAAVD 1417 SVNVDKQPKY1427 EYSLYMYIYF1437 IFFIIFGSFF1447 TLNLFICVII1457 DNFNQQKKKL 1467 GGQDIFMTEE1477 QKKYYNAMKK1487 LGSKKPQKPI1497 PRPGNKIQGC1507 IFDLVTNQAF 1517 DISIMVLICL1527 NMVTMMVEKE1537 GQSQHMTEVL1547 YWINVVFIIL1557 FTGECVLKLI 1567 SLRHYYFTVG1577 WNIFDFVVVI1587 ISIVGMFLAD1597 LIETYFVSPT1607 LFRVIRLARI 1617 GRILRLVKGA1627 KGIRTLLFAL1637 MMSLPALFNI1647 GLLLFLVMFI1657 YAIFGMSNFA 1667 YVKKEDGIND1677 MFNFETFGNS1687 MICLFQITTS1697 AGWDGLLAPI1707 LNSKPPDCDP 1717 KKVHPGSSVE1727 GDCGNPSVGI1737 FYFVSYIIIS1747 FLVVVNMYIA1757 VILENFSVAT 1767 E
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na(v)1.7. Proc Natl Acad Sci U S A. 2022 Aug 16;119(33):e2209164119. | ||||
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