Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T66505 | Target Info | |||
| Target Name | Smoothened homolog (SMO) | ||||
| Synonyms | Smo-D473H; SMOH; Protein Gx | ||||
| Target Type | Successful Target | ||||
| Gene Name | SMO | ||||
| Biochemical Class | GPCR frizzled | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 24(S), 25-epoxycholesterol | Ligand Info | |||||
| Structure Description | Structure of human SMO-Gi complex with 24(S),25-EC | PDB:6XBM | ||||
| Method | Electron microscopy | Resolution | 3.14 Å | Mutation | No | [1] |
| PDB Sequence |
QCEVPLVRTD
201 NPKSWYEDVE211 GCGIQCQNPL221 FTEAEHQDMH231 SYIAAFGAVT241 GLCTLFTLAT 251 FVADWRNSNR261 YPAVILFYVN271 ACFFVGSIGW281 LAQFMDGARR291 EIVCRADGTM 301 RLGEPTSNET311 LSCVIIFVIV321 YYALMAGVVW331 FVVLTYAWHT341 SFKALGTTYQ 351 PLSGKTSYFH361 LLTWSLPFVL371 TVAILAVAQV381 DGDSVSGICF391 VGYKNYRYRA 401 GFVLAPIGLV411 LIVGGYFLIR421 GVMTLFSIKS431 NHPGLLSEKA441 ASKINETMLR 451 LGIFGFLAFG461 FVLITFSCHF471 YDFFNQAEWE481 RSFRDYVLCQ491 ANVTIPSLLV 517 EKINLFAMFG527 TGIAMSTWVW537 T
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GLU194
4.758
LEU197
4.318
TYR207
3.685
ILE215
3.423
ASN219
2.585
LEU221
4.693
PHE222
3.497
TRP281
3.699
MET301
2.951
LEU325
3.756
GLY383
3.484
ASP384
3.188
VAL386
3.547
SER387
4.123
PHE391
3.841
TYR394
3.744
LYS395
4.470
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Structure of human SMO-G111C/I496C complex with Gi | PDB:6XBK | ||||
| Method | Electron microscopy | Resolution | 3.24 Å | Mutation | Yes | [1] |
| PDB Sequence |
HCGRAAPCEP
72 LRYNVCLGSV82 LPYGATSTLL92 AGDSDSQEEA102 HGKLVLWSCL112 RNAPRCWAVI 122 QPLLCAVYMP132 KCENDRVELP142 SRTLCQATRG152 PCAIVERERG162 WPDFLRCTPD 172 RFPEGCTNEV182 QNIKFNSSGQ192 CEVPLVRTDN202 PKSWYEDVEG212 CGIQCQNPLF 222 TEAEHQDMHS232 YIAAFGAVTG242 LCTLFTLATF252 VADWRNSNRY262 PAVILFYVNA 272 CFFVGSIGWL282 AQFMDGARRE292 IVCRADGTMR302 LGEPTSNETL312 SCVIIFVIVY 322 YALMAGVVWF332 VVLTYAWHTS342 FKALGTTYQP352 LSGKTSYFHL362 LTWSLPFVLT 372 VAILAVAQVD382 GDSVSGICFV392 GYKNYRYRAG402 FVLAPIGLVL412 IVGGYFLIRG 422 VMTLFSIKSN432 HPGLLSEKAA442 SKINETMLRL452 GIFGFLAFGF462 VLITFSCHFY 472 DFFNQAEWER482 SFRDYVLCQA492 NVTCGDCEIK510 NRPSLLVEKI520 NLFAMFGTGI 530 AMSTWVWT
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ASN219
4.843
PHE222
3.400
TRP281
4.186
LEU325
3.693
ASP384
3.451
VAL386
3.976
SER387
3.310
PHE391
3.939
TYR394
3.524
ARG400
3.456
VAL404
4.361
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: SAG | Ligand Info | |||||
| Structure Description | Structure of human SMO-Gi complex with SAG | PDB:6XBL | ||||
| Method | Electron microscopy | Resolution | 3.96 Å | Mutation | No | [1] |
| PDB Sequence |
HCGRAAPCEP
72 LRYNVCLGSV82 LPYGATSTLL92 AGDSDSQEEA102 HGKLVLWSGL112 RNAPRCWAVI 122 QPLLCAVYMP132 KCENDRVELP142 SRTLCQATRG152 PCAIVERERG162 WPDFLRCTPD 172 RFPEGCTNEV182 QNIKFNSSGQ192 CEVPLVRTDN202 PKSWYEDVEG212 CGIQCQNPLF 222 TEAEHQDMHS232 YIAAFGAVTG242 LCTLFTLATF252 VADWRNSNRY262 PAVILFYVNA 272 CFFVGSIGWL282 AQFMDGARRE292 IVCRADGTMR302 LGEPTSNETL312 SCVIIFVIVY 322 YALMAGVVWF332 VVLTYAWHTS342 FKALGTTYQP352 LSGKTSYFHL362 LTWSLPFVLT 372 VAILAVAQVD382 GDSVSGICFV392 GYKNYRYRAG402 FVLAPIGLVL412 IVGGYFLIRG 422 VMTLFSIKSN432 HPGLLSEKAA442 SKINETMLRL452 GIFGFLAFGF462 VLITFSCHFY 472 DFFNQAEWER482 SFRDYVLCQA492 NVTIGDCEIK510 NRPSLLVEKI520 NLFAMFGTGI 530 AMSTWVWT
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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 .V0S or .V0S2 or .V0S3 or :3V0S;style chemicals stick;color identity;select .R:207 or .R:215 or .R:219 or .R:220 or .R:221 or .R:222 or .R:301 or .R:303 or .R:382 or .R:383 or .R:384 or .R:394 or .R:395 or .R:400 or .R:473 or .R:477 or .R:480 or .R:481 or .R:484 or .R:513 or .R:518 or .R:521; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR207
4.660
ILE215
4.337
ASN219
2.927
PRO220
4.567
LEU221
4.354
PHE222
4.470
MET301
3.760
LEU303
3.879
ASP382
3.915
GLY383
4.170
ASP384
3.803
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling. Nat Chem Biol. 2020 Dec;16(12):1368-1375. | ||||
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