Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T79694 | Target Info | |||
| Target Name | Voltage-gated calcium channel alpha Cav3.3 (CACNA1I) | ||||
| Synonyms | Voltage-gated calcium channel subunit alpha Cav3.3; Voltage-dependent T-type calcium channel subunit alpha-1I; KIAA1120; Ca(v)3.3 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CACNA1I | ||||
| 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: 7WLI CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo) | ||||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
TSPRNWCIKM
75 VCNPWFECVS85 MLVILLNCVT95 LGMYQPCDDM105 DCLSDRCKIL115 QVFDDFIFIF 125 FAMEMVLKMV135 ALGIFGKKCY145 LGDTWNRLDF155 FIVMAGMVEY165 SLDLQNINLS 175 AIRTVRVLRP185 LKAINRVPSM195 RILVNLLLDT205 LPMLGNVLLL215 CFFVFFIFGI 225 IGVQLWAGLL235 RNRCFLEENF245 TIQGDVALPP255 YYQPEEDDEM265 PFICSLSGDN 275 GIMGCHEIPP285 LKCVNWNRYY323 NVCRTGSANP333 HKGAINFDNI343 GYAWIVIFQV 353 ITLEGWVEIM363 YYVMDAHSFY373 NFIYFILLII383 VGSFFMINLC393 LVVIATQFSE 403 TKQREHRLML413 RETRAKLRGI636 VDSKYFNRGI646 MMAILVNTVS656 MGIEHHEQPE 666 ELTNILEICN676 VVFTSMFALE686 MILKLAAFGL696 FDYLRNPYNI706 FDSIIVIISI 716 WEIVGQADGG726 LSVLRTFRLL736 RVLKLVRFMP746 ALRRQLVVLM756 KTMDNVATFC 766 MLLMLFIFIF776 SILGMHIFGC786 KFSLRTDTGD796 TVPDRKNFDS806 LLWAIVTVFQ 816 ILTQEDWNVV826 LYNGMASTSP836 WASLYFVALM846 TFGNYVLFNL856 LVAILVEGFQ 866 QTIIAHKLFD1173 YVVLAFIFLN1183 CITIALERPQ1193 IEAGSTERIF1203 LTVSNYIFTA 1213 IFVGEMTLKV1223 VSLGLYFGEQ1233 AYLRSSWNVL1243 DGFLVFVSII1253 DIVVSLASAG 1263 GAKILGVLRV1273 LRLLRTLRPL1283 RVISRAPGLK1293 LVVETLISSL1303 KPIGNIVLIC 1313 CAFFIIFGIL1323 GVQLFKGKFY1333 HCLGVDTRNI1343 TNRSDCMAAN1353 YRWVHHKYNF 1363 DNLGQALMSL1373 FVLASKDGWV1383 NIMYNGLDAV1393 AVDQQPVTNH1403 NPWMLLYFIS 1413 FLLIVSFFVL1423 NMFVGVVVEN1433 FHKCRQHQEA1443 EEARRREEKR1453 LRRLEKKRRK 1463 AQRLPYYATY1473 CHTRLLIHSM1483 CTSHYLDIFI1493 TFIICLNVVT1503 MSLEHYNQPT 1513 SLETALKYCN1523 YMFTTVFVLE1533 AVLKLVAFGL1543 RRFFKDRWNQ1553 LDLAIVLLSV 1563 MGITLEEIEI1573 NAALPINPTI1583 IRIMRVLRIA1593 RVLKLLKMAT1603 GMRALLDTVV 1613 QALPQVGNLG1623 LLFMLLFFIY1633 AALGVELFGK1643 LVCNDENPCE1653 GMSRHATFEN 1663 FGMAFLTLFQ1673 VSTGDNWNGI1683 MKDTLRDCTH1693 DERSCLSSLQ1703 FVSPLYFVSF 1713 VLTAQFVLIN1723 VVVAVLMKHL1733 DDSNK
|
|||||
|
|
CYS93
4.567
VAL94
4.603
GLY97
4.428
MET98
4.179
LEU214
4.120
PHE217
3.914
PHE220
4.127
ASN342
3.821
GLY344
3.481
TYR345
3.989
TRP347
3.979
ILE348
3.575
PHE351
4.541
LEU356
3.673
ILE382
3.786
ILE383
4.303
SER386
4.484
PHE387
3.436
PHE388
4.018
SER728
4.668
VAL729
3.832
THR732
3.613
PHE733
4.558
LEU735
3.857
LEU736
4.042
LEU739
4.018
MET759
3.887
VAL762
4.413
CYS766
3.723
LEU769
4.687
MET770
3.617
LEU771
4.264
ILE773
4.346
PHE774
4.350
LEU807
3.933
LEU808
3.665
ILE811
3.589
VAL812
4.937
PHE815
4.243
PRO836
3.791
TRP837
3.457
SER839
3.262
LEU840
4.285
VAL843
3.634
PHE854
3.597
LEU857
4.069
LEU1299
3.844
ILE1300
4.292
LEU1303
4.127
ILE1306
4.257
VAL1310
4.420
CYS1313
4.139
CYS1314
4.340
PHE1317
4.224
ILE1319
4.391
PHE1320
4.252
LEU1323
3.813
LEU1327
4.283
PHE1374
3.667
ALA1377
2.954
SER1378
3.864
LYS1379
3.426
ASN1404
3.363
PRO1405
3.820
TRP1406
3.884
MET1407
4.186
LEU1408
3.609
LEU1409
3.650
TYR1410
4.046
ILE1412
3.533
SER1413
4.194
LEU1416
3.559
ILE1417
3.976
VAL1418
4.936
SER1419
4.162
PHE1420
3.629
VAL1422
3.344
LEU1423
3.647
MET1425
3.806
ILE1491
3.674
THR1494
4.117
PHE1495
3.764
CYS1498
3.665
VAL1501
4.180
LEU1598
4.081
MET1601
3.573
ALA1602
3.886
GLY1623
4.482
PHE1626
3.664
PHE1672
3.835
SER1675
3.822
THR1676
3.641
GLY1677
4.558
VAL1714
4.560
LEU1715
3.691
THR1716
4.485
GLN1718
3.416
PHE1719
3.611
LEU1721
3.719
ILE1722
3.811
|
|||||
| PDB ID: 7WLK CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB) | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [1] |
| PDB Sequence |
TSPRNWCIKM
75 VCNPWFECVS85 MLVILLNCVT95 LGMYQPCDDM105 DCLSDRCKIL115 QVFDDFIFIF 125 FAMEMVLKMV135 ALGIFGKKCY145 LGDTWNRLDF155 FIVMAGMVEY165 SLDLQNINLS 175 AIRTVRVLRP185 LKAINRVPSM195 RILVNLLLDT205 LPMLGNVLLL215 CFFVFFIFGI 225 IGVQLWAGLL235 RNRCFLEENF245 TIQGDVALPP255 YYQPEEDDEM265 PFICSLSGDN 275 GIMGCHEIPP285 LKCVNWNRYY323 NVCRTGSANP333 HKGAINFDNI343 GYAWIVIFQV 353 ITLEGWVEIM363 YYVMDAHSFY373 NFIYFILLII383 VGSFFMINLC393 LVVIATQFSE 403 TKQREHRLML413 RETRAKLRGI636 VDSKYFNRGI646 MMAILVNTVS656 MGIEHHEQPE 666 ELTNILEICN676 VVFTSMFALE686 MILKLAAFGL696 FDYLRNPYNI706 FDSIIVIISI 716 WEIVGQADGG726 LSVLRTFRLL736 RVLKLVRFMP746 ALRRQLVVLM756 KTMDNVATFC 766 MLLMLFIFIF776 SILGMHIFGC786 KFSLRTDTGD796 TVPDRKNFDS806 LLWAIVTVFQ 816 ILTQEDWNVV826 LYNGMASTSP836 WASLYFVALM846 TFGNYVLFNL856 LVAILVEGFQ 866 QTIIAHKLFD1173 YVVLAFIFLN1183 CITIALERPQ1193 IEAGSTERIF1203 LTVSNYIFTA 1213 IFVGEMTLKV1223 VSLGLYFGEQ1233 AYLRSSWNVL1243 DGFLVFVSII1253 DIVVSLASAG 1263 GAKILGVLRV1273 LRLLRTLRPL1283 RVISRAPGLK1293 LVVETLISSL1303 KPIGNIVLIC 1313 CAFFIIFGIL1323 GVQLFKGKFY1333 HCLGVDTRNI1343 TNRSDCMAAN1353 YRWVHHKYNF 1363 DNLGQALMSL1373 FVLASKDGWV1383 NIMYNGLDAV1393 AVDQQPVTNH1403 NPWMLLYFIS 1413 FLLIVSFFVL1423 NMFVGVVVEN1433 FHKCRQHQEA1443 EEARRREEKR1453 LRRLEKKRRK 1463 AQRLPYYATY1473 CHTRLLIHSM1483 CTSHYLDIFI1493 TFIICLNVVT1503 MSLEHYNQPT 1513 SLETALKYCN1523 YMFTTVFVLE1533 AVLKLVAFGL1543 RRFFKDRWNQ1553 LDLAIVLLSV 1563 MGITLEEIEI1573 NAALPINPTI1583 IRIMRVLRIA1593 RVLKLLKMAT1603 GMRALLDTVV 1613 QALPQVGNLG1623 LLFMLLFFIY1633 AALGVELFGK1643 LVCNDENPCE1653 GMSRHATFEN 1663 FGMAFLTLFQ1673 VSTGDNWNGI1683 MKDTLRDCTH1693 DERSCLSSLQ1703 FVSPLYFVSF 1713 VLTAQFVLIN1723 VVVAVLMKHL1733 DDSNK
|
|||||
|
|
LEU214
4.146
PHE217
4.426
LEU356
3.726
ILE382
4.465
ILE383
4.208
SER386
4.700
PHE387
3.684
VAL729
3.609
THR732
3.594
PHE733
3.878
LEU735
4.480
LEU736
3.761
LEU1299
4.451
ILE1300
4.644
LEU1303
3.783
VAL1310
3.993
CYS1313
3.670
PHE1317
4.014
ILE1319
4.974
PHE1320
4.567
LEU1323
4.391
LEU1327
4.839
PHE1374
3.454
ALA1377
2.887
SER1378
3.446
LYS1379
3.026
ASN1404
3.626
TRP1406
4.107
MET1407
4.050
LEU1409
4.455
TYR1410
4.069
SER1413
4.534
VAL1418
4.592
VAL1422
3.233
MET1425
3.704
THR1494
4.232
PHE1495
3.955
CYS1498
3.776
VAL1501
4.817
VAL1502
4.140
LEU1598
4.197
MET1601
4.037
ALA1602
4.415
PHE1626
4.234
PHE1672
3.822
SER1675
3.820
THR1676
4.028
VAL1714
4.259
LEU1715
4.096
THR1716
3.650
GLN1718
3.261
PHE1719
3.981
LEU1721
3.735
ILE1722
3.719
|
|||||
| PDB ID: 7WLL CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ) | ||||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [1] |
| PDB Sequence |
TSPRNWCIKM
75 VCNPWFECVS85 MLVILLNCVT95 LGMYQPCDDM105 DCLSDRCKIL115 QVFDDFIFIF 125 FAMEMVLKMV135 ALGIFGKKCY145 LGDTWNRLDF155 FIVMAGMVEY165 SLDLQNINLS 175 AIRTVRVLRP185 LKAINRVPSM195 RILVNLLLDT205 LPMLGNVLLL215 CFFVFFIFGI 225 IGVQLWAGLL235 RNRCFLEENF245 TIQGDVALPP255 YYQPEEDDEM265 PFICSLSGDN 275 GIMGCHEIPP285 LKCVNWNRYY323 NVCRTGSANP333 HKGAINFDNI343 GYAWIVIFQV 353 ITLEGWVEIM363 YYVMDAHSFY373 NFIYFILLII383 VGSFFMINLC393 LVVIATQFSE 403 TKQREHRLML413 RETRAKLRGI636 VDSKYFNRGI646 MMAILVNTVS656 MGIEHHEQPE 666 ELTNILEICN676 VVFTSMFALE686 MILKLAAFGL696 FDYLRNPYNI706 FDSIIVIISI 716 WEIVGQADGG726 LSVLRTFRLL736 RVLKLVRFMP746 ALRRQLVVLM756 KTMDNVATFC 766 MLLMLFIFIF776 SILGMHIFGC786 KFSLRTDTGD796 TVPDRKNFDS806 LLWAIVTVFQ 816 ILTQEDWNVV826 LYNGMASTSP836 WASLYFVALM846 TFGNYVLFNL856 LVAILVEGFQ 866 QTIIAHKLFD1173 YVVLAFIFLN1183 CITIALERPQ1193 IEAGSTERIF1203 LTVSNYIFTA 1213 IFVGEMTLKV1223 VSLGLYFGEQ1233 AYLRSSWNVL1243 DGFLVFVSII1253 DIVVSLASAG 1263 GAKILGVLRV1273 LRLLRTLRPL1283 RVISRAPGLK1293 LVVETLISSL1303 KPIGNIVLIC 1313 CAFFIIFGIL1323 GVQLFKGKFY1333 HCLGVDTRNI1343 TNRSDCMAAN1353 YRWVHHKYNF 1363 DNLGQALMSL1373 FVLASKDGWV1383 NIMYNGLDAV1393 AVDQQPVTNH1403 NPWMLLYFIS 1413 FLLIVSFFVL1423 NMFVGVVVEN1433 FHKCRQHQEA1443 EEARRREEKR1453 LRRLEKKRRK 1463 AQRLPYYATY1473 CHTRLLIHSM1483 CTSHYLDIFI1493 TFIICLNVVT1503 MSLEHYNQPT 1513 SLETALKYCN1523 YMFTTVFVLE1533 AVLKLVAFGL1543 RRFFKDRWNQ1553 LDLAIVLLSV 1563 MGITLEEIEI1573 NAALPINPTI1583 IRIMRVLRIA1593 RVLKLLKMAT1603 GMRALLDTVV 1613 QALPQVGNLG1623 LLFMLLFFIY1633 AALGVELFGK1643 LVCNDENPCE1653 GMSRHATFEN 1663 FGMAFLTLFQ1673 VSTGDNWNGI1683 MKDTLRDCTH1693 DERSCLSSLQ1703 FVSPLYFVSF 1713 VLTAQFVLIN1723 VVVAVLMKHL1733 DDSNK
|
|||||
|
|
LEU214
3.731
PHE217
4.132
PHE220
4.789
ASN342
4.404
GLY344
3.493
TYR345
4.184
TRP347
3.958
ILE348
3.621
PHE351
4.658
LEU356
4.521
ILE382
3.873
ILE383
4.234
PHE387
4.074
PHE388
3.751
SER728
4.784
VAL729
3.648
THR732
3.568
PHE733
4.170
LEU735
4.651
LEU736
4.534
MET759
4.156
VAL762
4.218
PHE765
4.635
CYS766
3.529
LEU769
4.694
MET770
4.913
LEU808
3.604
ILE811
3.714
PHE815
4.769
PRO836
3.871
TRP837
3.474
SER839
3.666
LEU840
4.103
VAL843
3.801
PHE854
3.231
LEU857
3.677
LEU1299
4.626
LEU1303
4.379
VAL1310
3.812
CYS1313
4.201
CYS1314
4.965
PHE1317
4.110
ILE1319
4.260
PHE1320
4.432
LEU1323
4.289
LEU1327
4.170
PHE1374
4.100
ALA1377
3.179
SER1378
3.384
LYS1379
3.624
ASN1404
4.428
PRO1405
3.571
TRP1406
3.577
MET1407
4.048
LEU1408
4.048
LEU1409
3.616
TYR1410
4.352
ILE1412
3.690
SER1413
4.282
LEU1416
3.653
ILE1417
4.625
VAL1418
4.539
SER1419
3.986
PHE1420
3.711
VAL1422
3.195
LEU1423
4.358
MET1425
4.182
ILE1491
3.814
THR1494
4.829
PHE1495
3.466
CYS1498
3.978
LEU1499
4.126
LEU1598
4.513
MET1601
4.054
ALA1602
4.465
VAL1619
4.368
GLY1623
4.401
PHE1626
3.573
PHE1672
4.456
SER1675
4.513
THR1676
4.220
GLY1677
4.679
VAL1711
4.952
VAL1714
4.495
LEU1715
3.802
THR1716
4.374
GLN1718
3.490
PHE1719
3.653
LEU1721
3.756
ILE1722
3.544
|
|||||
| PDB ID: 7WLJ CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB) | ||||||
| Method | Electron microscopy | Resolution | 3.90 Å | Mutation | No | [1] |
| PDB Sequence |
TSPRNWCIKM
75 VCNPWFECVS85 MLVILLNCVT95 LGMYQPCDDM105 DCLSDRCKIL115 QVFDDFIFIF 125 FAMEMVLKMV135 ALGIFGKKCY145 LGDTWNRLDF155 FIVMAGMVEY165 SLDLQNINLS 175 AIRTVRVLRP185 LKAINRVPSM195 RILVNLLLDT205 LPMLGNVLLL215 CFFVFFIFGI 225 IGVQLWAGLL235 RNRCFLEENF245 TIQGDVALPP255 YYQPEEDDEM265 PFICSLSGDN 275 GIMGCHEIPP285 LKCVNWNRYY323 NVCRTGSANP333 HKGAINFDNI343 GYAWIVIFQV 353 ITLEGWVEIM363 YYVMDAHSFY373 NFIYFILLII383 VGSFFMINLC393 LVVIATQFSE 403 TKQREHRLML413 RETRAKLRGI636 VDSKYFNRGI646 MMAILVNTVS656 MGIEHHEQPE 666 ELTNILEICN676 VVFTSMFALE686 MILKLAAFGL696 FDYLRNPYNI706 FDSIIVIISI 716 WEIVGQADGG726 LSVLRTFRLL736 RVLKLVRFMP746 ALRRQLVVLM756 KTMDNVATFC 766 MLLMLFIFIF776 SILGMHIFGC786 KFSLRTDTGD796 TVPDRKNFDS806 LLWAIVTVFQ 816 ILTQEDWNVV826 LYNGMASTSP836 WASLYFVALM846 TFGNYVLFNL856 LVAILVEGFQ 866 QTIIAHKLFD1173 YVVLAFIFLN1183 CITIALERPQ1193 IEAGSTERIF1203 LTVSNYIFTA 1213 IFVGEMTLKV1223 VSLGLYFGEQ1233 AYLRSSWNVL1243 DGFLVFVSII1253 DIVVSLASAG 1263 GAKILGVLRV1273 LRLLRTLRPL1283 RVISRAPGLK1293 LVVETLISSL1303 KPIGNIVLIC 1313 CAFFIIFGIL1323 GVQLFKGKFY1333 HCLGVDTRNI1343 TNRSDCMAAN1353 YRWVHHKYNF 1363 DNLGQALMSL1373 FVLASKDGWV1383 NIMYNGLDAV1393 AVDQQPVTNH1403 NPWMLLYFIS 1413 FLLIVSFFVL1423 NMFVGVVVEN1433 FHKCRQHQEA1443 EEARRREEKR1453 LRRLEKKRRK 1463 AQRLPYYATY1473 CHTRLLIHSM1483 CTSHYLDIFI1493 TFIICLNVVT1503 MSLEHYNQPT 1513 SLETALKYCN1523 YMFTTVFVLE1533 AVLKLVAFGL1543 RRFFKDRWNQ1553 LDLAIVLLSV 1563 MGITLEEIEI1573 NAALPINPTI1583 IRIMRVLRIA1593 RVLKLLKMAT1603 GMRALLDTVV 1613 QALPQVGNLG1623 LLFMLLFFIY1633 AALGVELFGK1643 LVCNDENPCE1653 GMSRHATFEN 1663 FGMAFLTLFQ1673 VSTGDNWNGI1683 MKDTLRDCTH1693 DERSCLSSLQ1703 FVSPLYFVSF 1713 VLTAQFVLIN1723 VVVAVLMKHL1733 DDSNK
|
|||||
|
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:214 or .A:217 or .A:356 or .A:382 or .A:383 or .A:386 or .A:387 or .A:388 or .A:1299 or .A:1300 or .A:1303 or .A:1310 or .A:1313 or .A:1317 or .A:1320 or .A:1327 or .A:1374 or .A:1377 or .A:1378 or .A:1379 or .A:1404 or .A:1406 or .A:1407 or .A:1409 or .A:1410 or .A:1413 or .A:1418 or .A:1422 or .A:1425 or .A:1491 or .A:1494 or .A:1495 or .A:1498 or .A:1501 or .A:1598 or .A:1601 or .A:1602 or .A:1619 or .A:1623 or .A:1626 or .A:1627 or .A:1672 or .A:1675 or .A:1676 or .A:1677 or .A:1714 or .A:1715 or .A:1716 or .A:1718 or .A:1719 or .A:1721 or .A:1722; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU214
3.762
PHE217
3.821
LEU356
4.633
ILE382
4.207
ILE383
3.927
SER386
4.861
PHE387
4.112
PHE388
4.770
LEU1299
4.769
ILE1300
4.833
LEU1303
4.333
VAL1310
4.508
CYS1313
3.636
PHE1317
4.250
PHE1320
4.557
LEU1327
4.284
PHE1374
3.452
ALA1377
3.789
SER1378
3.523
LYS1379
4.009
ASN1404
3.467
TRP1406
4.087
MET1407
3.561
LEU1409
4.721
TYR1410
4.277
SER1413
4.303
VAL1418
4.492
VAL1422
3.613
MET1425
3.813
ILE1491
4.405
THR1494
4.423
PHE1495
3.669
CYS1498
3.628
VAL1501
4.425
LEU1598
4.389
MET1601
4.374
ALA1602
4.434
VAL1619
4.148
GLY1623
3.875
PHE1626
4.006
MET1627
4.837
PHE1672
4.243
SER1675
4.403
THR1676
3.708
GLY1677
4.998
VAL1714
4.369
LEU1715
3.761
THR1716
4.191
GLN1718
3.228
PHE1719
3.651
LEU1721
3.581
ILE1722
3.602
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure, gating, and pharmacology of human Ca(V)3.3 channel. Nat Commun. 2022 Apr 19;13(1):2084. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.