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 | Cholesterol hemisuccinate | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C | ||||
| InChI | 1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1 | ||||
| InChIKey | WLNARFZDISHUGS-MIXBDBMTSA-N | ||||
| PubChem Compound ID | 65082 | ||||
| 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
|
|||||
|
|
SER175
4.521
ILE222
4.318
PHE223
3.503
ILE226
3.543
LEU230
3.616
ASN275
3.838
HIS370
3.582
SER371
3.025
PHE372
3.834
TYR373
3.132
ASN374
3.504
PHE375
3.469
ILE376
3.615
TYR377
3.579
ILE379
3.673
LEU380
3.979
ILE383
3.633
VAL384
3.657
THR654
4.101
VAL655
3.659
GLY658
3.448
ILE659
4.345
HIS661
3.387
PHE776
4.595
LEU779
3.886
ILE783
4.117
LYS787
4.987
THR834
3.587
SER835
3.545
TRP837
3.173
ALA838
3.550
LEU840
3.653
TYR841
3.260
ALA844
4.365
PHE848
4.716
PHE1181
3.652
CYS1184
3.623
ILE1185
3.653
ALA1188
3.729
LEU1189
3.625
ARG1191
3.366
GLN1193
3.980
CYS1314
3.940
PHE1317
4.136
ILE1318
4.773
ASN1365
3.452
LEU1366
3.525
GLY1367
3.364
GLN1368
4.066
LEU1370
4.469
MET1371
3.604
PHE1374
3.499
ARG1585
2.524
MET1627
3.545
PHE1631
3.862
HIS1658
4.534
ASN1663
3.663
PHE1664
3.432
GLY1665
3.984
MET1666
4.086
PHE1668
3.785
LEU1669
3.527
PHE1672
3.556
GLN1703
3.738
PHE1704
3.429
PRO1707
3.427
LEU1708
4.976
VAL1711
4.150
LEU1715
4.743
|
|||||
| 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
|
|||||
|
|
ILE222
4.568
PHE223
3.702
ILE226
3.628
LEU230
3.663
ASN275
3.839
HIS370
3.904
SER371
3.337
PHE372
3.706
TYR373
3.367
ASN374
3.307
PHE375
3.412
ILE376
4.185
TYR377
3.539
ILE379
3.682
VAL384
3.630
THR654
3.736
VAL655
4.453
GLY658
3.379
ILE659
3.808
HIS661
3.594
GLU663
4.994
PHE776
4.674
LEU779
3.927
ILE783
3.733
THR834
3.553
SER835
3.776
TRP837
3.182
ALA838
3.467
LEU840
3.545
TYR841
3.316
ALA844
4.627
PHE1181
3.457
CYS1184
4.931
ILE1185
3.737
ALA1188
3.795
LEU1189
3.545
ARG1191
3.827
GLN1193
4.544
CYS1314
3.921
PHE1317
4.166
ILE1318
4.195
ASN1365
3.174
LEU1366
3.706
GLY1367
3.628
GLN1368
3.441
LEU1370
3.804
MET1371
4.342
PHE1374
3.661
PHE1626
4.961
MET1627
4.206
PHE1630
4.637
PHE1631
4.310
HIS1658
4.747
ASN1663
3.661
PHE1664
3.498
GLY1665
4.037
MET1666
3.966
PHE1668
3.391
LEU1669
3.601
PHE1672
1.492
GLN1703
3.831
PHE1704
3.728
PRO1707
4.120
LEU1708
4.219
VAL1711
4.232
|
|||||
| 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
|
|||||
|
|
LEU90
4.595
CYS93
3.569
VAL94
3.891
GLY97
4.022
MET98
3.436
GLN100
4.723
SER175
4.549
ALA176
4.444
VAL192
4.724
MET195
3.640
ILE222
4.181
PHE223
3.518
ILE226
3.664
LEU230
3.456
ASN275
3.990
HIS370
3.653
SER371
3.934
PHE372
3.559
TYR373
3.193
ASN374
3.892
PHE375
3.511
ILE376
3.922
TYR377
3.647
ILE379
3.638
LEU380
3.848
ILE383
4.512
VAL384
4.796
THR654
4.440
VAL655
3.725
GLY658
3.533
ILE659
4.356
HIS661
3.322
MET767
4.759
MET770
3.538
LEU771
4.774
PHE774
4.039
LEU779
4.284
ILE783
4.248
SER806
3.788
LEU807
4.241
THR834
3.703
SER835
3.142
TRP837
3.197
ALA838
3.504
LEU840
3.547
TYR841
3.675
PHE1181
3.043
CYS1184
4.864
ILE1185
3.546
ALA1188
3.480
LEU1189
4.574
ARG1191
3.578
CYS1314
3.908
PHE1317
4.010
ILE1318
4.464
ASN1365
2.835
LEU1366
3.995
GLY1367
3.342
GLN1368
3.565
LEU1370
4.193
MET1371
4.657
PHE1374
3.806
ARG1585
1.299
PHE1631
3.957
HIS1658
4.394
ASN1663
3.494
PHE1664
3.597
GLY1665
3.519
MET1666
3.645
PHE1668
3.423
LEU1669
3.478
PHE1672
4.314
GLN1703
3.302
PHE1704
4.308
PRO1707
3.641
LEU1708
4.600
VAL1711
3.772
LEU1715
4.999
|
|||||
| 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
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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:179 or .A:222 or .A:223 or .A:226 or .A:230 or .A:275 or .A:370 or .A:371 or .A:372 or .A:373 or .A:374 or .A:375 or .A:376 or .A:377 or .A:379 or .A:380 or .A:383 or .A:384 or .A:651 or .A:654 or .A:655 or .A:658 or .A:659 or .A:661 or .A:779 or .A:783 or .A:834 or .A:835 or .A:837 or .A:838 or .A:840 or .A:841 or .A:844 or .A:848 or .A:1188 or .A:1189 or .A:1191 or .A:1314 or .A:1317 or .A:1318 or .A:1365 or .A:1366 or .A:1367 or .A:1368 or .A:1370 or .A:1371 or .A:1374 or .A:1582 or .A:1585 or .A:1627 or .A:1631 or .A:1658 or .A:1663 or .A:1664 or .A:1665 or .A:1666 or .A:1668 or .A:1669 or .A:1672 or .A:1703 or .A:1704 or .A:1707 or .A:1708 or .A:1711; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR179
4.977
ILE222
3.693
PHE223
3.574
ILE226
3.578
LEU230
3.987
ASN275
4.457
HIS370
4.689
SER371
3.571
PHE372
3.474
TYR373
3.201
ASN374
3.426
PHE375
3.534
ILE376
4.216
TYR377
3.608
ILE379
4.406
LEU380
4.986
ILE383
4.764
VAL384
4.508
LEU651
4.855
THR654
3.600
VAL655
3.602
GLY658
4.119
ILE659
3.858
HIS661
3.553
LEU779
4.291
ILE783
3.580
THR834
3.908
SER835
3.552
TRP837
3.544
ALA838
3.485
LEU840
3.723
TYR841
3.349
ALA844
4.281
PHE848
3.913
ALA1188
3.314
LEU1189
3.587
ARG1191
4.020
CYS1314
4.564
PHE1317
3.907
ILE1318
4.759
ASN1365
3.586
LEU1366
3.637
GLY1367
3.421
GLN1368
3.320
LEU1370
4.298
MET1371
3.248
PHE1374
3.588
THR1582
4.705
ARG1585
4.682
MET1627
3.938
PHE1631
3.757
HIS1658
3.980
ASN1663
3.181
PHE1664
3.800
GLY1665
3.728
MET1666
4.129
PHE1668
3.648
LEU1669
3.533
PHE1672
3.815
GLN1703
3.945
PHE1704
3.419
PRO1707
3.447
LEU1708
4.054
VAL1711
4.303
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure, gating, and pharmacology of human Ca(V)3.3 channel. Nat Commun. 2022 Apr 19;13(1):2084. | ||||
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