Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T38338 | Target Info | |||
| Target Name | Voltage-gated calcium channel alpha Cav2.2 (CACNA1B) | ||||
| Synonyms | Voltage-gated calcium channel alpha subunit Cav2.2; Voltage-dependent N-type calcium channel alpha-1B subunit; N-type Ca2+ channel; Calcium channel, L type, alpha-1 polypeptide isoform 5; CACNA1B; Brain calcium channel III; BIII | ||||
| Target Type | Successful Target | ||||
| Gene Name | CACNA1B | ||||
| Biochemical Class | Voltage-gated ion channel | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Human N-type voltage-gated calcium channel Cav2.2 in the presence of ziconotide at 3.0 Angstrom resolution | PDB:7MIX | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
KYAKRITEWP
95 PFEYMILATI105 IANCIVLALE115 QHLPDGDKTP125 MSERLDDTEP135 YFIGIFCFEA 145 GIKIIALGFV155 SYLRNGWNVM169 DFVVVLTGIL179 ATAGTDFDLR189 TLRAVRVLRP 199 LKLVSGIPSL209 QVVLKSIMKA219 MVPLLQIGLL229 LFFAILMFAI239 IGLEFYMGKF 249 HKACFPNSTD259 AEPVGDFPCG269 KEAPARLCEG279 DTECREYWPG289 PNFGITNFDN 299 ILFAILTVFQ309 CITMEGWTDI319 LYNTNDAAGN329 TWNWLYFIPL339 IIIGSFFMLN 349 LVLGVLSGEF359 AKERERVENR369 RAFLKLRRQQ379 QIERELNGYL389 EWIFKAEEVM 399 LAEEDRNFRR466 KEKMFRFFIR476 RMVKAQSFYW486 VVLCVVALNT496 LCVAMVHYNQ 506 PRRLTTTLYF516 AEFVFLGLFL526 TEMSLKMYGL536 GPRSYFRSSF546 NCFDFGVIVG 556 SVFEVVWAAI566 KPGSSFGISV576 LRALRLLRIF586 KVTKYWSSLR596 NLVVSLLNSM 606 KSIISLLFLL616 FLFIVVFALL626 GMQLFGGQFN636 FQDETPTTNF646 DTFPAAILTV 656 FQILTGEDWN666 AVMYHGIESQ676 GGVSKGMFSS686 FYFIVLTLFG696 NYTLLNVFLA 706 IAVDNLANAQ716 ELTKDEEEME726 EAANQKLALQ736 KAKEVAEVSP746 MSAANISIAA 756 RQQNSAKARS766 VWEQRASQLR776 LQNLRASCEA786 LRRFCHYIVT1148 MRYFEVVILV 1158 VIALSSIALA1168 AEDPVRTDSP1178 RNNALKYLDY1188 IFTGVFTFEM1198 VIKMIDLWNI 1221 LDFIVVSGAL1231 VAFAFSGSKG1241 KDINTIKSLR1251 VLRVLRPLKT1261 IKRLPKLKAV 1271 FDCVVNSLKN1281 VLNILIVYML1291 FMFIFAVIAV1301 QLFKGKFFYC1311 TDESKELERD 1321 CRGQYLDYEK1331 EEVEAQPRQW1341 KKYDFHYDNV1351 LWALLTLFTV1361 STGEGWPMVL 1371 KHSVDATYEE1381 QGPSPGYRME1391 LSIFYVVYFV1401 VFPFFFVNIF1411 VALIIITFQE 1421 QGDKVMSECS1431 LEKNERACID1441 FAISAKPLTR1451 YMPQNRQSFQ1461 YKTWTFVVSP 1471 PFEYFIMAMI1481 ALNTVVLMMK1491 FYDAPYEYEL1501 MLKCLNIVFT1511 SMFSMECVLK 1521 IIAFGVLNYF1531 RDAWNVFDFV1541 TVLGSITDIL1551 VTEIAETNNF1561 INLSFLRLFR 1571 AARLIKLLRQ1581 GYTIRILLWT1591 FVQSFKALPY1601 VCLLIAMLFF1611 IYAIIGMQVF 1621 GNIALDDDTS1631 INRHNNFRTF1641 LQALMLLFRS1651 ATGEAWHEIM1661 LSCLSNQACD 1671 EQANATECGS1681 DFAYFYFVSF1691 IFLCSFLMLN1701 LFVAVIMDNF1711 EYLTRDSSIL 1721 GPHHLDEFIR1731 VWAEYDPAAC1741 GRISYNDMFE1751 MLKHMSPPLG1761 LGKKCPARVA 1771 YKRLVRMNMP1781 ISNEDMTVHF1791 TSTLMALIRT1801 ALEIKLAPAG1811 TKQHQCDAEL 1821 RKEISVVWAN1831 LPQKTL
|
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|
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ASN299
3.605
ILE300
4.080
LEU301
4.257
PHE572
3.544
GLY573
4.289
LEU577
3.829
LEU1162
3.601
ILE1165
3.608
ALA1166
4.502
ALA1168
4.044
ALA1169
3.771
PRO1178
3.669
ARG1179
3.270
ALA1182
4.044
LEU1186
3.599
PHE1190
4.262
ASN1245
4.940
LYS1248
4.706
PHE1292
3.588
PHE1296
3.541
ILE1299
3.603
LEU1303
3.733
GLU1391
3.333
LEU1392
3.646
ILE1394
3.453
PHE1395
3.514
VAL1398
3.774
VAL1402
4.989
VAL1486
3.927
MET1489
3.594
MET1490
3.619
PHE1492
3.474
PHE1611
4.724
PHE1641
4.032
LEU1642
3.988
SER1666
3.276
GLY1680
4.642
SER1681
3.549
ASP1682
3.314
PHE1683
4.118
PHE1686
3.973
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PD173212 | Ligand Info | |||||
| Structure Description | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212 | PDB:7VFV | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [2] |
| PDB Sequence |
NVVRKYAKRI
91 TEWPPFEYMI101 LATIIANCIV111 LALEQHLPDG121 DKTPMSERLD131 DTEPYFIGIF 141 CFEAGIKIIA151 LGFVFHKGSY161 LRNGWNVMDF171 VVVLTGILAT181 AGTDFDLRTL 191 RAVRVLRPLK201 LVSGIPSLQV211 VLKSIMKAMV221 PLLQIGLLLF231 FAILMFAIIG 241 LEFYMGKFHK251 ACFPNSTDAE261 PVGDFPCGKE271 APARLCEGDT281 ECREYWPGPN 291 FGITNFDNIL301 FAILTVFQCI311 TMEGWTDILY321 NTNDAAGNTW331 NWLYFIPLII 341 IGSFFMLNLV351 LGVLSGEFAK361 ERERVENRRA371 FLKLRRQQQI381 ERELNGYLEW 391 IFKAEEVMLA401 EEDRNSYFRR466 KEKMFRFFIR476 RMVKAQSFYW486 VVLCVVALNT 496 LCVAMVHYNQ506 PRRLTTTLYF516 AEFVFLGLFL526 TEMSLKMYGL536 GPRSYFRSSF 546 NCFDFGVIVG556 SVFEVVWAAI566 KPGSSFGISV576 LRALRLLRIF586 KVTKYWSSLR 596 NLVVSLLNSM606 KSIISLLFLL616 FLFIVVFALL626 GMQLFGGQFN636 FQDETPTTNF 646 DTFPAAILTV656 FQILTGEDWN666 AVMYHGIESQ676 GGVSKGMFSS686 FYFIVLTLFG 696 NYTLLNVFLA706 IAVDNLANAQ716 ELTKDEEEME726 EAANQKLALQ736 KAKEVAARSV 767 WEQRASQLRL777 QNLRASRRFC1143 HYIVTMRYFE1153 VVILVVIALS1163 SIALAAEDPV 1173 RTDSPRNNAL1183 KYLDYIFTGV1193 FTFEMVIKMI1203 DLGLLLHPGA1213 YFRDLWNILD 1223 FIVVSGALVA1233 FAFSGSKGKD1243 INTIKSLRVL1253 RVLRPLKTIK1263 RLPKLKAVFD 1273 CVVNSLKNVL1283 NILIVYMLFM1293 FIFAVIAVQL1303 FKGKFFYCTD1313 ESKELERDCR 1323 GQYLDYEKEE1333 VEAQPRQWKK1343 YDFHYDNVLW1353 ALLTLFTVST1363 GEGWPMVLKH 1373 SVDATYEEQG1383 PSPGYRMELS1393 IFYVVYFVVF1403 PFFFVNIFVA1413 LIIITFQEQK 1434 NERACIDFAI1444 SAPQNRQSFQ1461 YKTWTFVVSP1471 PFEYFIMAMI1481 ALNTVVLMMK 1491 FYDAPYEYEL1501 MLKCLNIVFT1511 SMFSMECVLK1521 IIAFGVLNYF1531 RDAWNVFDFV 1541 TVLGSITDIL1551 VTEIAETNNF1561 INLSFLRLFR1571 AARLIKLLRQ1581 GYTIRILLWT 1591 FVQSFKALPY1601 VCLLIAMLFF1611 IYAIIGMQVF1621 GNIALDDDTS1631 INRHNNFRTF 1641 LQALMLLFRS1651 ATGEAWHEIM1661 LSCLSNQACD1671 EQANATECGS1681 DFAYFYFVSF 1691 IFLCSFLMLN1701 LFVAVIMDNF1711 EYLTRDSSIL1721 GPHHLDEFIR1731 VWANDMFEML 1753 KHMSVHFTST1794 LMALIRTALE1804 ITKQHQCDAE1820 LRKEISVVWA1830 NLPQKTLDLL 1840 VPPHKP
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|
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MET313
3.825
PHE345
3.610
LEU348
3.666
LEU352
3.902
VAL1282
4.055
LEU1286
3.750
TYR1289
1.377
MET1293
4.728
PHE1359
3.185
SER1362
3.967
THR1363
3.670
PHE1403
3.873
PHE1407
4.291
|
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| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | PDB:7VFS | ||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
NVVRKYAKRI
91 TEWPPFEYMI101 LATIIANCIV111 LALEQHLPDG121 DKTPMSERLD131 DTEPYFIGIF 141 CFEAGIKIIA151 LGFVFHKGSY161 LRNGWNVMDF171 VVVLTGILAT181 AGTDFDLRTL 191 RAVRVLRPLK201 LVSGIPSLQV211 VLKSIMKAMV221 PLLQIGLLLF231 FAILMFAIIG 241 LEFYMGKFHK251 ACFPNSTDAE261 PVGDFPCGKE271 APARLCEGDT281 ECREYWPGPN 291 FGITNFDNIL301 FAILTVFQCI311 TMEGWTDILY321 NTNDAAGNTW331 NWLYFIPLII 341 IGSFFMLNLV351 LGVLSGEFAK361 ERERVENRRA371 FLKLRRQQQI381 ERELNGYLEW 391 IFKAEEVMLA401 EEDRNSYFRR466 KEKMFRFFIR476 RMVKAQSFYW486 VVLCVVALNT 496 LCVAMVHYNQ506 PRRLTTTLYF516 AEFVFLGLFL526 TEMSLKMYGL536 GPRSYFRSSF 546 NCFDFGVIVG556 SVFEVVWAAI566 KPGSSFGISV576 LRALRLLRIF586 KVTKYWSSLR 596 NLVVSLLNSM606 KSIISLLFLL616 FLFIVVFALL626 GMQLFGGQFN636 FQDETPTTNF 646 DTFPAAILTV656 FQILTGEDWN666 AVMYHGIESQ676 GGVSKGMFSS686 FYFIVLTLFG 696 NYTLLNVFLA706 IAVDNLANAQ716 ELTKDEEEME726 EAANQKLALQ736 KAKEVAARSV 767 WEQRASQLRL777 QNLRASRRFC1143 HYIVTMRYFE1153 VVILVVIALS1163 SIALAAEDPV 1173 RTDSPRNNAL1183 KYLDYIFTGV1193 FTFEMVIKMI1203 DLGLLLHPGA1213 YFRDLWNILD 1223 FIVVSGALVA1233 FAFSGSKGKD1243 INTIKSLRVL1253 RVLRPLKTIK1263 RLPKLKAVFD 1273 CVVNSLKNVL1283 NILIVYMLFM1293 FIFAVIAVQL1303 FKGKFFYCTD1313 ESKELERDCR 1323 GQYLDYEKEE1333 VEAQPRQWKK1343 YDFHYDNVLW1353 ALLTLFTVST1363 GEGWPMVLKH 1373 SVDATYEEQG1383 PSPGYRMELS1393 IFYVVYFVVF1403 PFFFVNIFVA1413 LIIITFQEQK 1434 NERACIDFAI1444 SAPQNRQSFQ1461 YKTWTFVVSP1471 PFEYFIMAMI1481 ALNTVVLMMK 1491 FYDAPYEYEL1501 MLKCLNIVFT1511 SMFSMECVLK1521 IIAFGVLNYF1531 RDAWNVFDFV 1541 TVLGSITDIL1551 VTEIAETNNF1561 INLSFLRLFR1571 AARLIKLLRQ1581 GYTIRILLWT 1591 FVQSFKALPY1601 VCLLIAMLFF1611 IYAIIGMQVF1621 GNIALDDDTS1631 INRHNNFRTF 1641 LQALMLLFRS1651 ATGEAWHEIM1661 LSCLSNQACD1671 EQANATECGS1681 DFAYFYFVSF 1691 IFLCSFLMLN1701 LFVAVIMDNF1711 EYLTRDSSIL1721 GPHHLDEFIR1731 VWANDMFEML 1753 KHMSVHFTST1794 LMALIRTALE1804 ITKQHQCDAE1820 LRKEISVVWA1830 NLPQKTLDLL 1840 VPPHKP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .A:299 or .A:300 or .A:301 or .A:493 or .A:496 or .A:497 or .A:500 or .A:501 or .A:503 or .A:504 or .A:505 or .A:582 or .A:1165 or .A:1168 or .A:1169 or .A:1179 or .A:1294 or .A:1350 or .A:1351 or .A:1352 or .A:1486 or .A:1489 or .A:1490 or .A:1492 or .A:1493 or .A:1494 or .A:1499 or .A:1604 or .A:1607 or .A:1608 or .A:1611 or .A:1641 or .A:1642; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN299
3.175
ILE300
3.916
LEU301
3.570
ALA493
4.918
THR496
3.272
LEU497
3.634
ALA500
3.802
MET501
3.632
HIS503
3.863
TYR504
3.944
ASN505
4.285
LEU582
4.148
ILE1165
3.576
ALA1168
3.623
ALA1169
3.553
ARG1179
2.922
PHE1294
4.061
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Hexadecane | Ligand Info | |||||
| Structure Description | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | PDB:7VFS | ||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
NVVRKYAKRI
91 TEWPPFEYMI101 LATIIANCIV111 LALEQHLPDG121 DKTPMSERLD131 DTEPYFIGIF 141 CFEAGIKIIA151 LGFVFHKGSY161 LRNGWNVMDF171 VVVLTGILAT181 AGTDFDLRTL 191 RAVRVLRPLK201 LVSGIPSLQV211 VLKSIMKAMV221 PLLQIGLLLF231 FAILMFAIIG 241 LEFYMGKFHK251 ACFPNSTDAE261 PVGDFPCGKE271 APARLCEGDT281 ECREYWPGPN 291 FGITNFDNIL301 FAILTVFQCI311 TMEGWTDILY321 NTNDAAGNTW331 NWLYFIPLII 341 IGSFFMLNLV351 LGVLSGEFAK361 ERERVENRRA371 FLKLRRQQQI381 ERELNGYLEW 391 IFKAEEVMLA401 EEDRNSYFRR466 KEKMFRFFIR476 RMVKAQSFYW486 VVLCVVALNT 496 LCVAMVHYNQ506 PRRLTTTLYF516 AEFVFLGLFL526 TEMSLKMYGL536 GPRSYFRSSF 546 NCFDFGVIVG556 SVFEVVWAAI566 KPGSSFGISV576 LRALRLLRIF586 KVTKYWSSLR 596 NLVVSLLNSM606 KSIISLLFLL616 FLFIVVFALL626 GMQLFGGQFN636 FQDETPTTNF 646 DTFPAAILTV656 FQILTGEDWN666 AVMYHGIESQ676 GGVSKGMFSS686 FYFIVLTLFG 696 NYTLLNVFLA706 IAVDNLANAQ716 ELTKDEEEME726 EAANQKLALQ736 KAKEVAARSV 767 WEQRASQLRL777 QNLRASRRFC1143 HYIVTMRYFE1153 VVILVVIALS1163 SIALAAEDPV 1173 RTDSPRNNAL1183 KYLDYIFTGV1193 FTFEMVIKMI1203 DLGLLLHPGA1213 YFRDLWNILD 1223 FIVVSGALVA1233 FAFSGSKGKD1243 INTIKSLRVL1253 RVLRPLKTIK1263 RLPKLKAVFD 1273 CVVNSLKNVL1283 NILIVYMLFM1293 FIFAVIAVQL1303 FKGKFFYCTD1313 ESKELERDCR 1323 GQYLDYEKEE1333 VEAQPRQWKK1343 YDFHYDNVLW1353 ALLTLFTVST1363 GEGWPMVLKH 1373 SVDATYEEQG1383 PSPGYRMELS1393 IFYVVYFVVF1403 PFFFVNIFVA1413 LIIITFQEQK 1434 NERACIDFAI1444 SAPQNRQSFQ1461 YKTWTFVVSP1471 PFEYFIMAMI1481 ALNTVVLMMK 1491 FYDAPYEYEL1501 MLKCLNIVFT1511 SMFSMECVLK1521 IIAFGVLNYF1531 RDAWNVFDFV 1541 TVLGSITDIL1551 VTEIAETNNF1561 INLSFLRLFR1571 AARLIKLLRQ1581 GYTIRILLWT 1591 FVQSFKALPY1601 VCLLIAMLFF1611 IYAIIGMQVF1621 GNIALDDDTS1631 INRHNNFRTF 1641 LQALMLLFRS1651 ATGEAWHEIM1661 LSCLSNQACD1671 EQANATECGS1681 DFAYFYFVSF 1691 IFLCSFLMLN1701 LFVAVIMDNF1711 EYLTRDSSIL1721 GPHHLDEFIR1731 VWANDMFEML 1753 KHMSVHFTST1794 LMALIRTALE1804 ITKQHQCDAE1820 LRKEISVVWA1830 NLPQKTLDLL 1840 VPPHKP
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R16 or .R162 or .R163 or :3R16;style chemicals stick;color identity;select .A:165 or .A:166 or .A:169 or .A:197 or .A:200 or .A:214 or .A:237 or .A:240 or .A:244 or .A:245 or .A:299 or .A:301 or .A:302 or .A:304 or .A:305 or .A:327 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:334 or .A:335 or .A:337 or .A:338 or .A:342 or .A:348 or .A:352 or .A:571 or .A:572 or .A:577 or .A:580 or .A:613 or .A:616 or .A:617 or .A:620 or .A:623 or .A:626 or .A:630 or .A:650 or .A:653 or .A:654 or .A:657 or .A:660 or .A:661 or .A:676 or .A:677 or .A:679 or .A:680 or .A:681 or .A:683 or .A:684 or .A:685 or .A:686 or .A:687 or .A:688 or .A:690 or .A:691 or .A:697 or .A:700 or .A:701 or .A:704 or .A:1161 or .A:1162 or .A:1164 or .A:1165 or .A:1166 or .A:1169 or .A:1178 or .A:1179 or .A:1182 or .A:1183 or .A:1186 or .A:1218 or .A:1219 or .A:1222 or .A:1245 or .A:1248 or .A:1249 or .A:1252 or .A:1253 or .A:1255 or .A:1256 or .A:1258 or .A:1259 or .A:1261 or .A:1265 or .A:1267 or .A:1272 or .A:1279 or .A:1286 or .A:1289 or .A:1290 or .A:1292 or .A:1293 or .A:1296 or .A:1299 or .A:1303 or .A:1350 or .A:1352 or .A:1353 or .A:1355 or .A:1356 or .A:1359 or .A:1362 or .A:1363 or .A:1390 or .A:1391 or .A:1392 or .A:1393 or .A:1394 or .A:1395 or .A:1397 or .A:1398 or .A:1401 or .A:1404 or .A:1405 or .A:1408 or .A:1409 or .A:1411 or .A:1412 or .A:1486 or .A:1490 or .A:1492 or .A:1496 or .A:1499 or .A:1562 or .A:1564 or .A:1565 or .A:1569 or .A:1600 or .A:1601 or .A:1603 or .A:1604 or .A:1607 or .A:1608 or .A:1610 or .A:1611 or .A:1612 or .A:1613 or .A:1616 or .A:1620 or .A:1642 or .A:1643 or .A:1645 or .A:1646 or .A:1649 or .A:1666 or .A:1680 or .A:1681 or .A:1682 or .A:1683 or .A:1685 or .A:1686 or .A:1687 or .A:1689 or .A:1690 or .A:1692 or .A:1693 or .A:1694 or .A:1696 or .A:1697 or .A:1700; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY165
3.799
TRP166
3.789
MET169
4.587
LEU197
4.461
LEU200
4.156
LYS214
4.178
PHE237
3.892
ILE240
3.784
PHE244
3.709
TYR245
3.285
ASN299
3.802
LEU301
3.662
PHE302
3.576
ILE304
3.761
LEU305
4.399
ALA327
3.920
ASN329
3.599
THR330
3.922
TRP331
3.514
ASN332
3.380
TRP333
3.634
LEU334
3.314
TYR335
3.969
ILE337
3.549
PRO338
3.877
ILE342
4.731
LEU348
4.344
LEU352
4.324
SER571
4.823
PHE572
4.046
LEU577
4.167
LEU580
4.457
LEU613
3.979
LEU616
4.119
PHE617
3.847
ILE620
3.970
PHE623
4.303
LEU626
3.717
LEU630
3.813
PRO650
4.059
ILE653
3.667
LEU654
3.743
PHE657
4.444
LEU660
4.489
THR661
4.054
GLN676
3.653
GLY677
4.909
VAL679
3.823
SER680
4.164
LYS681
3.659
MET683
3.474
PHE684
3.705
SER685
3.651
SER686
3.788
PHE687
4.217
TYR688
3.869
ILE690
4.368
VAL691
4.193
ASN697
4.620
LEU700
4.474
LEU701
3.674
PHE704
4.806
ALA1161
3.754
LEU1162
4.083
SER1164
3.828
ILE1165
4.481
ALA1166
4.480
ALA1169
4.710
PRO1178
4.894
ARG1179
4.322
ALA1182
4.669
LEU1183
4.716
LEU1186
4.746
LEU1218
3.671
TRP1219
3.716
LEU1222
3.888
ASN1245
4.444
LYS1248
3.313
SER1249
3.933
VAL1252
3.702
LEU1253
4.459
VAL1255
4.301
LEU1256
3.869
PRO1258
4.216
LEU1259
4.353
THR1261
3.823
LEU1265
4.152
LYS1267
3.799
PHE1272
3.859
LEU1279
3.735
LEU1286
3.830
TYR1289
4.319
MET1290
3.928
PHE1292
3.496
MET1293
3.849
PHE1296
3.591
ILE1299
4.211
LEU1303
4.527
ASN1350
3.758
LEU1352
3.917
TRP1353
3.508
LEU1355
3.981
LEU1356
3.927
PHE1359
4.167
SER1362
4.314
THR1363
3.989
MET1390
4.093
GLU1391
3.968
LEU1392
3.689
SER1393
4.661
ILE1394
4.407
PHE1395
4.549
VAL1397
3.775
VAL1398
4.210
VAL1401
4.056
PRO1404
3.974
PHE1405
3.562
VAL1408
3.602
ASN1409
3.268
PHE1411
4.503
VAL1412
3.625
VAL1486
3.687
MET1490
3.963
PHE1492
4.140
PRO1496
3.675
TYR1499
3.818
ILE1562
4.599
LEU1564
4.959
SER1565
4.253
LEU1569
3.801
PRO1600
3.665
TYR1601
3.819
CYS1603
4.213
LEU1604
4.217
ALA1607
4.024
MET1608
3.743
PHE1610
4.068
PHE1611
4.260
ILE1612
4.088
TYR1613
3.537
ILE1616
3.579
VAL1620
4.080
LEU1642
3.403
GLN1643
4.172
LEU1645
3.579
MET1646
3.763
PHE1649
4.095
SER1666
3.421
GLY1680
4.071
SER1681
3.434
ASP1682
3.270
PHE1683
3.667
TYR1685
3.852
PHE1686
3.490
TYR1687
4.721
VAL1689
3.707
SER1690
3.846
ILE1692
4.253
PHE1693
3.487
LEU1694
4.239
SER1696
3.293
PHE1697
3.709
LEU1700
3.633
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine | Ligand Info | |||||
| Structure Description | Human N-type voltage-gated calcium channel Cav2.2 in the presence of ziconotide at 3.0 Angstrom resolution | PDB:7MIX | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
KYAKRITEWP
95 PFEYMILATI105 IANCIVLALE115 QHLPDGDKTP125 MSERLDDTEP135 YFIGIFCFEA 145 GIKIIALGFV155 SYLRNGWNVM169 DFVVVLTGIL179 ATAGTDFDLR189 TLRAVRVLRP 199 LKLVSGIPSL209 QVVLKSIMKA219 MVPLLQIGLL229 LFFAILMFAI239 IGLEFYMGKF 249 HKACFPNSTD259 AEPVGDFPCG269 KEAPARLCEG279 DTECREYWPG289 PNFGITNFDN 299 ILFAILTVFQ309 CITMEGWTDI319 LYNTNDAAGN329 TWNWLYFIPL339 IIIGSFFMLN 349 LVLGVLSGEF359 AKERERVENR369 RAFLKLRRQQ379 QIERELNGYL389 EWIFKAEEVM 399 LAEEDRNFRR466 KEKMFRFFIR476 RMVKAQSFYW486 VVLCVVALNT496 LCVAMVHYNQ 506 PRRLTTTLYF516 AEFVFLGLFL526 TEMSLKMYGL536 GPRSYFRSSF546 NCFDFGVIVG 556 SVFEVVWAAI566 KPGSSFGISV576 LRALRLLRIF586 KVTKYWSSLR596 NLVVSLLNSM 606 KSIISLLFLL616 FLFIVVFALL626 GMQLFGGQFN636 FQDETPTTNF646 DTFPAAILTV 656 FQILTGEDWN666 AVMYHGIESQ676 GGVSKGMFSS686 FYFIVLTLFG696 NYTLLNVFLA 706 IAVDNLANAQ716 ELTKDEEEME726 EAANQKLALQ736 KAKEVAEVSP746 MSAANISIAA 756 RQQNSAKARS766 VWEQRASQLR776 LQNLRASCEA786 LRRFCHYIVT1148 MRYFEVVILV 1158 VIALSSIALA1168 AEDPVRTDSP1178 RNNALKYLDY1188 IFTGVFTFEM1198 VIKMIDLWNI 1221 LDFIVVSGAL1231 VAFAFSGSKG1241 KDINTIKSLR1251 VLRVLRPLKT1261 IKRLPKLKAV 1271 FDCVVNSLKN1281 VLNILIVYML1291 FMFIFAVIAV1301 QLFKGKFFYC1311 TDESKELERD 1321 CRGQYLDYEK1331 EEVEAQPRQW1341 KKYDFHYDNV1351 LWALLTLFTV1361 STGEGWPMVL 1371 KHSVDATYEE1381 QGPSPGYRME1391 LSIFYVVYFV1401 VFPFFFVNIF1411 VALIIITFQE 1421 QGDKVMSECS1431 LEKNERACID1441 FAISAKPLTR1451 YMPQNRQSFQ1461 YKTWTFVVSP 1471 PFEYFIMAMI1481 ALNTVVLMMK1491 FYDAPYEYEL1501 MLKCLNIVFT1511 SMFSMECVLK 1521 IIAFGVLNYF1531 RDAWNVFDFV1541 TVLGSITDIL1551 VTEIAETNNF1561 INLSFLRLFR 1571 AARLIKLLRQ1581 GYTIRILLWT1591 FVQSFKALPY1601 VCLLIAMLFF1611 IYAIIGMQVF 1621 GNIALDDDTS1631 INRHNNFRTF1641 LQALMLLFRS1651 ATGEAWHEIM1661 LSCLSNQACD 1671 EQANATECGS1681 DFAYFYFVSF1691 IFLCSFLMLN1701 LFVAVIMDNF1711 EYLTRDSSIL 1721 GPHHLDEFIR1731 VWAEYDPAAC1741 GRISYNDMFE1751 MLKHMSPPLG1761 LGKKCPARVA 1771 YKRLVRMNMP1781 ISNEDMTVHF1791 TSTLMALIRT1801 ALEIKLAPAG1811 TKQHQCDAEL 1821 RKEISVVWAN1831 LPQKTL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3PE or .3PE2 or .3PE3 or :33PE;style chemicals stick;color identity;select .A:233 or .A:236 or .A:237 or .A:240 or .A:244 or .A:245 or .A:248 or .A:327 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:334 or .A:335 or .A:337 or .A:338 or .A:341 or .A:342 or .A:345 or .A:1563 or .A:1564 or .A:1565 or .A:1566 or .A:1569 or .A:1572 or .A:1573 or .A:1596 or .A:1606 or .A:1610 or .A:1640 or .A:1642 or .A:1643 or .A:1645 or .A:1646 or .A:1649 or .A:1699 or .A:1702 or .A:1703; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA233
4.615
MET236
3.629
PHE237
3.786
ILE240
3.986
PHE244
3.811
TYR245
3.246
LYS248
3.825
ALA327
3.922
ASN329
3.285
THR330
3.590
TRP331
3.345
ASN332
2.841
TRP333
3.550
LEU334
3.463
TYR335
3.602
ILE337
4.549
PRO338
4.289
ILE341
4.229
ILE342
4.324
PHE345
3.769
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cav 2.2 blocker 1 | Ligand Info | |||||
| Structure Description | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1 | PDB:7VFW | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [2] |
| PDB Sequence |
NVVRKYAKRI
91 TEWPPFEYMI101 LATIIANCIV111 LALEQHLPDG121 DKTPMSERLD131 DTEPYFIGIF 141 CFEAGIKIIA151 LGFVFHKGSY161 LRNGWNVMDF171 VVVLTGILAT181 AGTDFDLRTL 191 RAVRVLRPLK201 LVSGIPSLQV211 VLKSIMKAMV221 PLLQIGLLLF231 FAILMFAIIG 241 LEFYMGKFHK251 ACFPNSTDAE261 PVGDFPCGKE271 APARLCEGDT281 ECREYWPGPN 291 FGITNFDNIL301 FAILTVFQCI311 TMEGWTDILY321 NTNDAAGNTW331 NWLYFIPLII 341 IGSFFMLNLV351 LGVLSGEFAK361 ERERVENRRA371 FLKLRRQQQI381 ERELNGYLEW 391 IFKAEEVMLA401 EEDRNSYFRR466 KEKMFRFFIR476 RMVKAQSFYW486 VVLCVVALNT 496 LCVAMVHYNQ506 PRRLTTTLYF516 AEFVFLGLFL526 TEMSLKMYGL536 GPRSYFRSSF 546 NCFDFGVIVG556 SVFEVVWAAI566 KPGSSFGISV576 LRALRLLRIF586 KVTKYWSSLR 596 NLVVSLLNSM606 KSIISLLFLL616 FLFIVVFALL626 GMQLFGGQFN636 FQDETPTTNF 646 DTFPAAILTV656 FQILTGEDWN666 AVMYHGIESQ676 GGVSKGMFSS686 FYFIVLTLFG 696 NYTLLNVFLA706 IAVDNLANAQ716 ELTKDEEEME726 EAANQKLALQ736 KAKEVAARSV 767 WEQRASQLRL777 QNLRASRRFC1143 HYIVTMRYFE1153 VVILVVIALS1163 SIALAAEDPV 1173 RTDSPRNNAL1183 KYLDYIFTGV1193 FTFEMVIKMI1203 DLGLLLHPGA1213 YFRDLWNILD 1223 FIVVSGALVA1233 FAFSGSKGKD1243 INTIKSLRVL1253 RVLRPLKTIK1263 RLPKLKAVFD 1273 CVVNSLKNVL1283 NILIVYMLFM1293 FIFAVIAVQL1303 FKGKFFYCTD1313 ESKELERDCR 1323 GQYLDYEKEE1333 VEAQPRQWKK1343 YDFHYDNVLW1353 ALLTLFTVST1363 GEGWPMVLKH 1373 SVDATYEEQG1383 PSPGYRMELS1393 IFYVVYFVVF1403 PFFFVNIFVA1413 LIIITFQEQK 1434 NERACIDFAI1444 SAPQNRQSFQ1461 YKTWTFVVSP1471 PFEYFIMAMI1481 ALNTVVLMMK 1491 FYDAPYEYEL1501 MLKCLNIVFT1511 SMFSMECVLK1521 IIAFGVLNYF1531 RDAWNVFDFV 1541 TVLGSITDIL1551 VTEIAETNNF1561 INLSFLRLFR1571 AARLIKLLRQ1581 GYTIRILLWT 1591 FVQSFKALPY1601 VCLLIAMLFF1611 IYAIIGMQVF1621 GNIALDDDTS1631 INRHNNFRTF 1641 LQALMLLFRS1651 ATGEAWHEIM1661 LSCLSNQACD1671 EQANATECGS1681 DFAYFYFVSF 1691 IFLCSFLMLN1701 LFVAVIMDNF1711 EYLTRDSSIL1721 GPHHLDEFIR1731 VWANDMFEML 1753 KHMSVHFTST1794 LMALIRTALE1804 ITKQHQCDAE1820 LRKEISVVWA1830 NLPQKTLDLL 1840 VPPHKP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6I7 or .6I72 or .6I73 or :36I7;style chemicals stick;color identity;select .A:348 or .A:352 or .A:1282 or .A:1286 or .A:1289 or .A:1359 or .A:1362 or .A:1363 or .A:1407 or .A:1408 or .A:1411 or .A:1412 or .A:1692 or .A:1693 or .A:1696 or .A:1697 or .A:1699 or .A:1700 or .A:1703; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU348
3.693
LEU352
4.410
VAL1282
4.226
LEU1286
3.743
TYR1289
3.226
PHE1359
3.242
SER1362
4.424
THR1363
4.127
PHE1407
4.889
VAL1408
3.940
|
|||||
| Ligand Name: [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | Ligand Info | |||||
| Structure Description | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | PDB:7VFS | ||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
NVVRKYAKRI
91 TEWPPFEYMI101 LATIIANCIV111 LALEQHLPDG121 DKTPMSERLD131 DTEPYFIGIF 141 CFEAGIKIIA151 LGFVFHKGSY161 LRNGWNVMDF171 VVVLTGILAT181 AGTDFDLRTL 191 RAVRVLRPLK201 LVSGIPSLQV211 VLKSIMKAMV221 PLLQIGLLLF231 FAILMFAIIG 241 LEFYMGKFHK251 ACFPNSTDAE261 PVGDFPCGKE271 APARLCEGDT281 ECREYWPGPN 291 FGITNFDNIL301 FAILTVFQCI311 TMEGWTDILY321 NTNDAAGNTW331 NWLYFIPLII 341 IGSFFMLNLV351 LGVLSGEFAK361 ERERVENRRA371 FLKLRRQQQI381 ERELNGYLEW 391 IFKAEEVMLA401 EEDRNSYFRR466 KEKMFRFFIR476 RMVKAQSFYW486 VVLCVVALNT 496 LCVAMVHYNQ506 PRRLTTTLYF516 AEFVFLGLFL526 TEMSLKMYGL536 GPRSYFRSSF 546 NCFDFGVIVG556 SVFEVVWAAI566 KPGSSFGISV576 LRALRLLRIF586 KVTKYWSSLR 596 NLVVSLLNSM606 KSIISLLFLL616 FLFIVVFALL626 GMQLFGGQFN636 FQDETPTTNF 646 DTFPAAILTV656 FQILTGEDWN666 AVMYHGIESQ676 GGVSKGMFSS686 FYFIVLTLFG 696 NYTLLNVFLA706 IAVDNLANAQ716 ELTKDEEEME726 EAANQKLALQ736 KAKEVAARSV 767 WEQRASQLRL777 QNLRASRRFC1143 HYIVTMRYFE1153 VVILVVIALS1163 SIALAAEDPV 1173 RTDSPRNNAL1183 KYLDYIFTGV1193 FTFEMVIKMI1203 DLGLLLHPGA1213 YFRDLWNILD 1223 FIVVSGALVA1233 FAFSGSKGKD1243 INTIKSLRVL1253 RVLRPLKTIK1263 RLPKLKAVFD 1273 CVVNSLKNVL1283 NILIVYMLFM1293 FIFAVIAVQL1303 FKGKFFYCTD1313 ESKELERDCR 1323 GQYLDYEKEE1333 VEAQPRQWKK1343 YDFHYDNVLW1353 ALLTLFTVST1363 GEGWPMVLKH 1373 SVDATYEEQG1383 PSPGYRMELS1393 IFYVVYFVVF1403 PFFFVNIFVA1413 LIIITFQEQK 1434 NERACIDFAI1444 SAPQNRQSFQ1461 YKTWTFVVSP1471 PFEYFIMAMI1481 ALNTVVLMMK 1491 FYDAPYEYEL1501 MLKCLNIVFT1511 SMFSMECVLK1521 IIAFGVLNYF1531 RDAWNVFDFV 1541 TVLGSITDIL1551 VTEIAETNNF1561 INLSFLRLFR1571 AARLIKLLRQ1581 GYTIRILLWT 1591 FVQSFKALPY1601 VCLLIAMLFF1611 IYAIIGMQVF1621 GNIALDDDTS1631 INRHNNFRTF 1641 LQALMLLFRS1651 ATGEAWHEIM1661 LSCLSNQACD1671 EQANATECGS1681 DFAYFYFVSF 1691 IFLCSFLMLN1701 LFVAVIMDNF1711 EYLTRDSSIL1721 GPHHLDEFIR1731 VWANDMFEML 1753 KHMSVHFTST1794 LMALIRTALE1804 ITKQHQCDAE1820 LRKEISVVWA1830 NLPQKTLDLL 1840 VPPHKP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PT5 or .PT52 or .PT53 or :3PT5;style chemicals stick;color identity;select .A:532 or .A:536 or .A:544 or .A:545 or .A:546 or .A:547 or .A:549 or .A:580 or .A:583 or .A:584 or .A:586 or .A:587 or .A:592 or .A:595 or .A:596 or .A:598 or .A:599 or .A:602 or .A:606 or .A:609 or .A:613 or .A:704 or .A:707 or .A:1285 or .A:1288 or .A:1292 or .A:1401 or .A:1402 or .A:1406 or .A:1407; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS532
3.943
LEU536
4.779
SER544
3.531
SER545
3.257
PHE546
3.093
ASN547
2.932
PHE549
3.908
LEU580
3.722
LEU583
3.766
ARG584
2.914
PHE586
4.537
LYS587
2.871
TRP592
3.326
LEU595
3.612
ARG596
3.256
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human Ca(v)2.2 channel blocked by the painkiller ziconotide. Nature. 2021 Aug;596(7870):143-147. | ||||
| REF 2 | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca(V)2.2. Cell Rep. 2021 Nov 2;37(5):109931. | ||||
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