Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC | ||||
| InChI | 1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 | ||||
| InChIKey | LVNGJLRDBYCPGB-LDLOPFEMSA-N | ||||
| PubChem Compound ID | 447078 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7MIX Human N-type voltage-gated calcium channel Cav2.2 in the presence of ziconotide at 3.0 Angstrom resolution | ||||||
| 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
|
|||||
|
|
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
|
|||||
| PDB ID: 7MIY Human N-type voltage-gated calcium channel Cav2.2 at 3.1 Angstrom resolution | ||||||
| Method | Electron microscopy | Resolution | 3.10 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
|
|||||
|
|
LEU229
4.588
PHE232
3.669
ALA233
4.056
MET236
3.696
PHE237
3.725
ILE240
3.961
PHE244
3.974
TYR245
3.260
LYS248
3.883
ALA327
2.797
GLY328
4.994
ASN329
3.263
THR330
3.510
TRP331
3.531
ASN332
3.403
TRP333
3.654
LEU334
3.718
TYR335
3.612
ILE337
4.601
PRO338
4.261
ILE341
4.852
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human Ca(v)2.2 channel blocked by the painkiller ziconotide. Nature. 2021 Aug;596(7870):143-147. | ||||
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