Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T76937 | Target Info | |||
| Target Name | Voltage-gated sodium channel alpha Nav1.3 (SCN3A) | ||||
| Synonyms | Voltage-gated sodium channel subunit alpha Nav1.3; Voltage-gated sodium channel subtype III; Sodium channel protein, brain III subunit alpha; Sodium channel protein type III subunit alpha; Sodium channel protein type 3 subunit alpha; Sodium channel protein brain III subunit alpha; NAC3; KIAA1356 | ||||
| Target Type | Successful Target | ||||
| Gene Name | SCN3A | ||||
| Biochemical Class | Voltage-gated ion channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en | Ligand Info | |||
| Canonical SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(COC)COC)C)C)C)OC1 | ||||
| InChI | 1S/C34H56O5/c1-22-9-15-34(38-19-22)23(2)31-30(39-34)18-29-27-8-7-25-17-26(37-16-12-24(20-35-5)21-36-6)10-13-32(25,3)28(27)11-14-33(29,31)4/h7,22-24,26-31H,8-21H2,1-6H3/t22-,23+,26+,27-,28+,29+,30+,31+,32+,33+,34-/m1/s1 | ||||
| InChIKey | CEEBZAXXSRFQIC-GZSGZGDASA-N | ||||
| PubChem Compound ID | 134817783 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7W7F Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431 | ||||||
| Method | Electron microscopy | Resolution | 3.35 Å | Mutation | No | [1] |
| PDB Sequence |
PVRKIAIKIL
125 VHSLFSMLIM135 CTILTNCVFM145 TLSNPPDWTK155 NVEYTFTGIY165 TFESLIKILA 175 RGFCLEDFTF185 LRDPWNWLDF195 SVIVMAYVTE205 FVSLVSALRT217 FRVLRALKTI 227 SVIPGLKTIV237 GALIQSVKKL247 SDVMILTVFC257 LSVFALIGLQ267 LFMGNLRNKC 277 LQWPPSFNWK316 DYIGDDSHFY326 VLDGQKDPLL336 CGNGSDAGQC346 PEGYICVKAG 356 RNPNYGYTSF366 DTFSWAFLSL376 FRLMTQDYWE386 NLYQLTLRAA396 GKTYMIFFVL 406 VIFLGSFYLV416 NLILAVVAMA426 YEEQNQATLE436 EADCCDAWLK748 VKHLVNLIVM 758 DPFVDLAITI768 CIVLNTLFMA778 MEHYPMTEQF788 SSVLTVGNLV798 FTGIFTAEMV 808 LKIIAMDPYY818 YFQEGWNIFD828 GIIVSLSLME838 LGLSNVEGLS848 VLRSFRLLRV 858 FKLAKSWPTL868 NMLIKIIGNS878 VGALGNLTLV888 LAIIVFIFAV898 VGMQLFGKSY 908 KECVCKINDD918 CTLPRWHMND928 FFHSFLIVFR938 VLCGEWIETM948 WDCMEVAGQT 958 MCLIVFMLVM968 VIGNLVVLNL978 FLALLLSSFG1189 KIWWNLRKTC1199 YSIVEHNWFE 1209 TFIVFMILLS1219 SGALAFEDIY1229 IEQRKTIKTM1239 LEYADKVFTY1249 IFILEMLLKW 1259 VAYGFQTYFT1269 NAWCWLDFLI1279 VDVSLVSLVA1289 NALGYSELGA1299 IKSLRTLRAL 1309 RPLRALSRFE1319 GMRVVVNALV1329 GAIPSIMNVL1339 LVCLIFWLIF1349 SIMGVNLFAG 1359 KFYHCVNMTT1369 GNMFDISDVN1379 NLSDCQALGK1389 QARWKNVKVN1399 FDNVGAGYLA 1409 LLQVATFKGW1419 MDIMYAAVDS1429 RDVKLQPVYE1439 ENLYMYLYFV1449 IFIIFGSFFT 1459 LNLFIGVIID1469 NFNQQKKKFG1479 GQDIFMTEEQ1489 KKYYNAMKKL1499 GSKKPQKPIP 1509 RPANKFQGMV1519 FDFVTRQVFD1529 ISIMILICLN1539 MVTMMVETDD1549 QGKYMTLVLS 1559 RINLVFIVLF1569 TGEFVLKLVS1579 LRHYYFTIGW1589 NIFDFVVVIL1599 SIVGMFLAEM 1609 IEKYFVSPTL1619 FRVIRLARIG1629 RILRLIKGAK1639 GIRTLLFALM1649 MSLPALFNIG 1659 LLLFLVMFIY1669 AIFGMSNFAY1679 VKKEAGIDDM1689 FNFETFGNSM1699 ICLFQITTSA 1709 GWDGLLAPIL1719 NSAPPDCDPD1729 TIHPGSSVKG1739 DCGNPSVGIF1749 FFVSYIIISF 1759 LVVVNMYIAV1769 ILENFSVAT
|
|||||
|
|
||||||
| PDB ID: 7W77 cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
PVRKIAIKIL
125 VHSLFSMLIM135 CTILTNCVFM145 TLSNPPDWTK155 NVEYTFTGIY165 TFESLIKILA 175 RGFCLEDFTF185 LRDPWNWLDF195 SVIVMAYVTE205 FVSLVSALRT217 FRVLRALKTI 227 SVIPGLKTIV237 GALIQSVKKL247 SDVMILTVFC257 LSVFALIGLQ267 LFMGNLRNKC 277 LQWPPSFNWK316 DYIGDDSHFY326 VLDGQKDPLL336 CGNGSDAGQC346 PEGYICVKAG 356 RNPNYGYTSF366 DTFSWAFLSL376 FRLMTQDYWE386 NLYQLTLRAA396 GKTYMIFFVL 406 VIFLGSFYLV416 NLILAVVAMA426 YEEQNQATLE436 EADCCDAWLK748 VKHLVNLIVM 758 DPFVDLAITI768 CIVLNTLFMA778 MEHYPMTEQF788 SSVLTVGNLV798 FTGIFTAEMV 808 LKIIAMDPYY818 YFQEGWNIFD828 GIIVSLSLME838 LGLSNVEGLS848 VLRSFRLLRV 858 FKLAKSWPTL868 NMLIKIIGNS878 VGALGNLTLV888 LAIIVFIFAV898 VGMQLFGKSY 908 KECVCKINDD918 CTLPRWHMND928 FFHSFLIVFR938 VLCGEWIETM948 WDCMEVAGQT 958 MCLIVFMLVM968 VIGNLVVLNL978 FLALLLSSFG1189 KIWWNLRKTC1199 YSIVEHNWFE 1209 TFIVFMILLS1219 SGALAFEDIY1229 IEQRKTIKTM1239 LEYADKVFTY1249 IFILEMLLKW 1259 VAYGFQTYFT1269 NAWCWLDFLI1279 VDVSLVSLVA1289 NALGYSELGA1299 IKSLRTLRAL 1309 RPLRALSRFE1319 GMRVVVNALV1329 GAIPSIMNVL1339 LVCLIFWLIF1349 SIMGVNLFAG 1359 KFYHCVNMTT1369 GNMFDISDVN1379 NLSDCQALGK1389 QARWKNVKVN1399 FDNVGAGYLA 1409 LLQVATFKGW1419 MDIMYAAVDS1429 RDVKLQPVYE1439 ENLYMYLYFV1449 IFIIFGSFFT 1459 LNLFIGVIID1469 NFNQQKKKFG1479 GQDIFMTEEQ1489 KKYYNAMKKL1499 GSKKPQKPIP 1509 RPANKFQGMV1519 FDFVTRQVFD1529 ISIMILICLN1539 MVTMMVETDD1549 QGKYMTLVLS 1559 RINLVFIVLF1569 TGEFVLKLVS1579 LRHYYFTIGW1589 NIFDFVVVIL1599 SIVGMFLAEM 1609 IEKYFVSPTL1619 FRVIRLARIG1629 RILRLIKGAK1639 GIRTLLFALM1649 MSLPALFNIG 1659 LLLFLVMFIY1669 AIFGMSNFAY1679 VKKEAGIDDM1689 FNFETFGNSM1699 ICLFQITTSA 1709 GWDGLLAPIL1719 NSAPPDCDPD1729 TIHPGSSVKG1739 DCGNPSVGIF1749 FFVSYIIISF 1759 LVVVNMYIAV1769 ILENFSVAT
|
|||||
|
|
ASP342
3.840
LYS398
4.278
THR399
4.367
MET401
3.521
ILE402
3.723
VAL405
3.830
THR767
4.874
VAL771
3.631
LEU775
3.992
ALA778
4.030
MET779
4.694
HIS781
3.370
TYR782
4.299
PRO783
3.917
LEU861
3.886
SER864
3.201
TRP865
3.469
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for modulation of human Na(V)1.3 by clinical drug and selective antagonist. Nat Commun. 2022 Mar 11;13(1):1286. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.