Target Binding Site Detail

Target General Information

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Target ID

T64795

Target Info

Target Name

Voltage-gated calcium channel alpha Cav3.1 (CACNA1G)

Synonyms

Voltage-gated calcium channel alpha subunit Cav3.1; Voltage-dependent T-type calcium channel; NBR13; Cav3.1c; CACNA1G

Target Type

Successful Target

Gene Name

CACNA1G

Biochemical Class

Voltage-gated ion channel

UniProt ID

CAC1G_HUMAN

Ligand General Information

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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

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PDB ID: 6KZO membrane protein

Method

Electron microscopy

Resolution

3.30 Å

Mutation

[1]

PDB Sequence

NPWFERISML

⁸⁹

VILLNCVTLG

⁹⁹

MFRPCEDIAC

¹⁰⁹

DSQRCRILQA

¹¹⁹

FDDFIFAFFA

¹²⁹

VEMVVKMVAG

¹⁴⁹

DTWNRLDFFI

¹⁵⁹

VIAGMLEYSS

¹⁷⁷

AVRTVRVLRP

¹⁸⁷

LRAINRVPSM

¹⁹⁷

RILVTLLLDT

²⁰⁷

LPMLGNVLLL

²¹⁷

CFFVFFIFGI

²²⁷

VGVQLWAGLL

²³⁷

RNRCFLPENF

²⁴⁷

SLPLSVDLER

²⁵⁷

YYQTENEDES

²⁶⁷

PFICSQPREN

²⁷⁷

GMRSCRSVPT

²⁸⁷

LRCVNWNQYY

³²⁰

TNCSAGEHNP

³³⁰

FKGAINFDNI

³⁴⁰

GYAWIAIFQV

³⁵⁰

ITLEGWVDIM

³⁶⁰

YFVMDAHSFY

³⁷⁰

NFIYFILLII

³⁸⁰

VGSFFMINLC

³⁹⁰

LVVIATQFSY

⁷⁴⁴

FGRGIMIAIL

⁷⁵⁴

VNTLSMGIEY

⁷⁶⁴

HEQPEELTNA

⁷⁷⁴

LEISNIVFTS

⁷⁸⁴

LFALEMLLKL

⁷⁹⁴

LVYGPFGYIK

⁸⁰⁴

NPYNIFDGVI

⁸¹⁴

VVISVWSVLR

⁸³⁴

TFRLMRVLKL

⁸⁴⁴

VRFLPALQRQ

⁸⁵⁴

LVVLMKTMDN

⁸⁶⁴

VATFCMLLML

⁸⁷⁴

FIFIFSILGM

⁸⁸⁴

HLFGCKFALP

⁹⁰¹

DRKNFDSLLW

⁹¹¹

AIVTVFQILT

⁹²¹

QEDWNKVLYN

⁹³¹

GMASTSSWAA

⁹⁴¹

LYFIALMTFG

⁹⁵¹

NYVLFNLLVA

⁹⁶¹

ILVEGFQAKM

¹²⁵⁴

FDHVVLVIIF

¹²⁶⁴

LNCITIAMER

¹²⁷⁴

PKIDPHSAER

¹²⁸⁴

IFLTLSNYIF

¹²⁹⁴

TAVFLAEMTV

¹³⁰⁴

KVVALGSSWN

¹³²⁴

VLDGLLVLIS

¹³³⁴

VIDILVSMVS

¹³⁴⁴

DSILGMLRVL

¹³⁵⁷

RLLRTLRPLR

¹³⁶⁷

VISRAQGLKL

¹³⁷⁷

VVETLMSSLK

¹³⁸⁷

PIGNIVVICC

¹³⁹⁷

AFFIIFGILG

¹⁴⁰⁷

VQLFKGKFFV

¹⁴¹⁷

CQGEDTRNIT

¹⁴²⁷

NKSDCAEASY

¹⁴³⁷

RWVRHKYNFD

¹⁴⁴⁷

NLGQALMSLF

¹⁴⁵⁷

VLASKDGWVD

¹⁴⁶⁷

IMYDGLDAVG

¹⁴⁷⁷

VDQQPIMNHN

¹⁴⁸⁷

PWMLLYFISF

¹⁴⁹⁷

LLIVAFFVLN

¹⁵⁰⁷

MFVGVVVENF

¹⁵¹⁷

HDLFITGVIG

¹⁵⁹⁹

LNVVTMAMEH

¹⁶⁰⁹

YQQPQILDEA

¹⁶¹⁹

LKICNYIFTV

¹⁶²⁹

IFVLESVFKN

¹⁶⁵³

QLDLAIVLLS

¹⁶⁶³

IMGITLEEIE

¹⁶⁷³

VNASLPINPT

¹⁶⁸³

IIRIMRVLRI

¹⁶⁹³

ARVLKLLKMA

¹⁷⁰³

VGMRALLDTV

¹⁷¹³

MQALPQVGNL

¹⁷²³

GLLFMLLFFI

¹⁷³³

FAALGVELFG

¹⁷⁴³

DLECDETHPC

¹⁷⁵³

EGLGRHATFR

¹⁷⁶³

NFGMAFLTLF

¹⁷⁷³

RVSTGDNWNG

¹⁷⁸³

IMKDTLRDYN

¹⁸⁰⁰

TVISPIYFVS

¹⁸¹⁰

FVLTAQFVLV

¹⁸²⁰

NVVIAVLMKH

¹⁸³⁰

LEESNKE

Residue

Distance (Å)

LEU92

4.967

CYS95

4.670

VAL96

4.737

GLY99

4.552

MET100

3.931

MET197

3.566

LEU208

3.241

PRO209

4.488

LEU211

3.340

GLY212

4.278

LEU215

3.486

VAL221

4.600

PHE222

3.039

ILE224

3.583

PHE225

3.923

VAL228

4.327

LEU232

4.125

ASN277

4.094

MET279

4.390

ASN339

3.619

ILE340

4.360

GLY341

4.012

TYR342

3.447

TRP344

3.884

ILE345

4.267

PHE348

4.338

ILE351

4.728

THR352

3.989

LEU353

3.856

HIS367

3.453

SER368

3.645

PHE369

3.445

TYR370

3.658

ASN371

4.315

PHE372

4.277

ILE373

4.709

TYR374

4.420

ILE376

4.080

LEU377

4.349

ILE379

3.753

ILE380

3.496

VAL381

4.723

SER383

4.922

PHE384

3.899

ILE387

3.443

ASN388

4.731

CYS390

3.986

SER831

4.577

VAL832

4.271

THR835

3.524

PHE836

4.053

LEU838

3.645

MET839

3.755

VAL865

4.695

CYS869

2.554

MET870

2.948

LEU871

4.839

LEU872

3.758

MET873

3.725

LEU874

4.510

ILE876

4.065

PHE877

4.660

SER908

3.060

LEU909

3.734

LEU910

2.995

TRP911

4.476

ILE913

3.569

PHE917

3.533

LEU920

2.965

THR921

3.089

GLN922

2.776

SER938

3.608

TRP939

3.855

Residue

Distance (Å)

ALA941

4.847

LEU942

4.563

ILE945

3.121

MET948

4.503

THR949

3.524

ASN952

3.349

TYR953

4.372

LEU955

3.737

PHE956

4.590

LEU958

4.324

LEU959

4.675

VAL1393

4.169

CYS1396

3.764

PHE1400

4.287

ILE1402

4.082

PHE1403

4.772

LEU1406

4.017

PHE1457

4.571

ALA1460

3.727

SER1461

4.222

LYS1462

3.443

VAL1476

4.732

HIS1486

3.020

ASN1487

2.963

PRO1488

3.625

TRP1489

3.591

MET1490

3.875

LEU1491

4.151

LEU1492

3.467

TYR1493

4.392

ILE1495

3.729

SER1496

3.468

LEU1498

4.623

LEU1499

3.740

VAL1501

4.708

ALA1502

3.610

PHE1503

4.377

VAL1505

3.868

LEU1506

3.669

VAL1603

4.929

ALA1606

3.755

MET1607

4.300

HIS1609

3.826

TYR1610

4.133

GLN1611

3.750

THR1683

4.166

ARG1686

3.919

ILE1687

2.881

VAL1690

3.993

LEU1691

3.638

ILE1693

3.742

PRO1718

4.462

VAL1720

3.665

GLY1721

3.713

ASN1722

4.102

GLY1724

3.880

LEU1725

4.242

PHE1727

4.797

MET1728

3.110

PHE1731

4.372

ASN1764

4.204

PHE1765

4.913

GLY1766

2.528

MET1767

2.509

PHE1769

4.230

LEU1770

4.004

PHE1773

3.982

SER1776

4.438

THR1777

3.725

LEU1813

3.825

GLN1816

3.705

LEU1819

3.712

PDB ID: 6KZP calcium channel-ligand

Method

Electron microscopy

Resolution

3.10 Å

Mutation

[1]

PDB Sequence

NPWFERISML

⁸⁹

VILLNCVTLG

⁹⁹

MFRPCEDIAC

¹⁰⁹

DSQRCRILQA

¹¹⁹

FDDFIFAFFA

¹²⁹

VEMVVKMVAG

¹⁴⁹

DTWNRLDFFI

¹⁵⁹

VIAGMLEYSL

¹⁶⁹

DLQNVSFSAV

¹⁷⁹

RTVRVLRPLR

¹⁸⁹

AINRVPSMRI

¹⁹⁹

LVTLLLDTLP

²⁰⁹

MLGNVLLLCF

²¹⁹

FVFFIFGIVG

²²⁹

VQLWAGLLRN

²³⁹

RCFLPENFSL

²⁴⁹

PLSVDLERYY

²⁵⁹

QTENEDESPF

²⁶⁹

ICSQPRENGM

²⁷⁹

RSCRSVPTLR

²⁸⁹

CVNWNQYYTN

³²²

CSAGEHNPFK

³³²

GAINFDNIGY

³⁴²

AWIAIFQVIT

³⁵²

LEGWVDIMYF

³⁶²

VMDAHSFYNF

³⁷²

IYFILLIIVG

³⁸²

SFFMINLCLV

³⁹²

VIATQFSETK

⁴⁰²

QREIVDSKYF

⁷⁴⁵

GRGIMIAILV

⁷⁵⁵

NTLSMGIEYH

⁷⁶⁵

EQPEELTNAL

⁷⁷⁵

EISNIVFTSL

⁷⁸⁵

FALEMLLKLL

⁷⁹⁵

VYGPFGYIKN

⁸⁰⁵

PYNIFDGVIV

⁸¹⁵

VISVWEIVSV

⁸³²

LRTFRLMRVL

⁸⁴²

KLVRFLPALQ

⁸⁵²

RQLVVLMKTM

⁸⁶²

DNVATFCMLL

⁸⁷²

MLFIFIFSIL

⁸⁸²

GMHLFGCKFA

⁸⁹²

SLPDRKNFDS

⁹⁰⁸

LLWAIVTVFQ

⁹¹⁸

ILTQEDWNKV

⁹²⁸

LYNGMASTSS

⁹³⁸

WAALYFIALM

⁹⁴⁸

TFGNYVLFNL

⁹⁵⁸

LVAILVEGFQ

⁹⁶⁸

FRLLCHRIIT

¹²⁵¹

HKMFDHVVLV

¹²⁶¹

IIFLNCITIA

¹²⁷¹

MERPKIDPHS

¹²⁸¹

AERIFLTLSN

¹²⁹¹

YIFTAVFLAE

¹³⁰¹

MTVKVVALGS

¹³²¹

SWNVLDGLLV

¹³³¹

LISVIDILVS

¹³⁴¹

MVSKILGMLR

¹³⁵⁵

VLRLLRTLRP

¹³⁶⁵

LRVISRAQGL

¹³⁷⁵

KLVVETLMSS

¹³⁸⁵

LKPIGNIVVI

¹³⁹⁵

CCAFFIIFGI

¹⁴⁰⁵

LGVQLFKGKF

¹⁴¹⁵

FVCQGEDTRN

¹⁴²⁵

ITNKSDCAEA

¹⁴³⁵

SYRWVRHKYN

¹⁴⁴⁵

FDNLGQALMS

¹⁴⁵⁵

LFVLASKDGW

¹⁴⁶⁵

VDIMYDGLDA

¹⁴⁷⁵

VGVDQQPIMN

¹⁴⁸⁵

HNPWMLLYFI

¹⁴⁹⁵

SFLLIVAFFV

¹⁵⁰⁵

LNMFVGVVVE

¹⁵¹⁵

NFHYLDLFIT

¹⁵⁹⁵

GVIGLNVVTM

¹⁶⁰⁵

AMEHYQQPQI

¹⁶¹⁵

LDEALKICNY

¹⁶²⁵

IFTVIFVLES

¹⁶³⁵

VFKLVAFGFR

¹⁶⁴⁵

RFFQDRWNQL

¹⁶⁵⁵

DLAIVLLSIM

¹⁶⁶⁵

GITLEEIEVN

¹⁶⁷⁵

ASLPINPTII

¹⁶⁸⁵

RIMRVLRIAR

¹⁶⁹⁵

VLKLLKMAVG

¹⁷⁰⁵

MRALLDTVMQ

¹⁷¹⁵

ALPQVGNLGL

¹⁷²⁵

LFMLLFFIFA

¹⁷³⁵

ALGVELFGDL

¹⁷⁴⁵

ECDETHPCEG

¹⁷⁵⁵

LGRHATFRNF

¹⁷⁶⁵

GMAFLTLFRV

¹⁷⁷⁵

STGDNWNGIM

¹⁷⁸⁵

KDTLRDYNTV

¹⁸⁰²

ISPIYFVSFV

¹⁸¹²

LTAQFVLVNV

¹⁸²²

VIAVLMKHLE

¹⁸³²

ESNK

Residue

Distance (Å)

VAL184

4.915

LEU185

4.132

PHE222

3.986

ASN339

2.980

ILE340

4.656

GLY341

3.722

TYR342

3.629

TRP344

3.747

ILE345

3.700

LEU353

4.071

PHE369

3.849

TYR370

3.946

PHE372

4.018

ILE373

4.113

SER831

4.202

VAL832

3.643

THR835

3.175

PHE836

3.774

LEU838

4.528

MET839

3.149

LEU842

4.974

LEU872

4.208

MET873

4.736

ILE876

3.758

ILE878

4.263

PHE879

4.391

LEU882

3.777

LEU886

3.942

LYS890

3.302

LEU910

3.685

ILE913

3.814

VAL914

3.927

PHE917

3.651

SER935

3.182

THR936

3.305

SER937

3.200

SER938

3.588

TRP939

3.822

ALA940

3.916

ALA941

4.790

LEU942

4.486

TYR943

4.170

ILE945

3.724

ALA946

3.815

LEU1386

4.659

VAL1393

4.151

Residue

Distance (Å)

CYS1396

4.300

CYS1397

3.569

PHE1400

4.193

ILE1402

4.609

PHE1403

3.142

LEU1406

3.938

LEU1410

4.234

LYS1414

4.768

PHE1457

4.496

ALA1460

4.073

SER1461

4.473

LYS1462

4.535

ASN1487

3.244

PRO1488

3.882

TRP1489

3.677

MET1490

3.659

LEU1491

3.904

LEU1492

3.679

TYR1493

4.709

ILE1495

3.692

SER1496

3.931

LEU1499

4.319

ILE1500

4.726

VAL1501

4.635

VAL1505

3.557

MET1508

4.242

VAL1603

4.907

ALA1606

3.906

MET1607

4.085

HIS1609

3.881

TYR1610

4.546

GLN1611

4.654

ARG1763

3.569

ASN1764

3.518

GLY1766

3.897

MET1767

3.689

PHE1769

4.221

LEU1770

3.943

THR1777

3.591

VAL1812

4.481

LEU1813

3.564

THR1814

4.030

GLN1816

3.672

PHE1817

3.415

VAL1820

3.835

References

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REF 1

Cryo-EM structures of apo and antagonist-bound human Ca(v)3.1. Nature. 2019 Dec;576(7787):492-497.

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