Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T16688 | Target Info | |||
| Target Name | Diacylglycerol acyltransferase 1 (DGAT1) | ||||
| Synonyms | Retinol O-fatty-acyltransferase; Diglyceride acyltransferase; Diacylglycerol O-acyltransferase 1; DGAT; Acyl-CoA retinol O-fatty-acyltransferase; ARAT; AGRP1; ACAT-related gene product 1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | DGAT1 | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Oleoyl-CoA | Ligand Info | |||
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O | ||||
| InChI | 1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1 | ||||
| InChIKey | XDUHQPOXLUAVEE-BPMMELMSSA-N | ||||
| PubChem Compound ID | 5497111 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6VP0 Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA | ||||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
WELRCHRLQD
73 SLFSSDSGFS83 NYRGILNWCV93 VMLILSNARL103 FLENLIKYGI113 LVDPIQVVSL 123 FLKDPYSWPA133 PCLVIAANVF143 AVAAFQVEKR153 LAVGALTEQA163 GLLLHVANLA 173 TILCFPAAVV183 LLVESITPVG193 SLLALMAHTI203 LFLKLFSYRD213 VNSWCRRARA 223 KHTVSYPDNL247 TYRDLYYFLF257 APTLCYELNF267 PRSPRIRKRF277 LLRRILEMLF 287 FTQLQVGLIQ297 QWMVPTIQNS307 MKPFKDMDYS317 RIIERLLKLA327 VPNHLIWLIF 337 FYWLFHSCLN347 AVAELMQFGD357 REFYRDWWNS367 ESVTYFWQNW377 NIPVHKWCIR 387 HFYKPMLRRG397 SSKWMARTGV407 FLASAFFHEY417 LVSVPLRMFR427 LWAFTGMMAQ 437 IPLAWFVGRF447 FQGNYGNAAV457 WLSLIIGQPI467 AVLMYVHDYY477 VLNY |
|||||
|
|
MET199
4.281
TRP334
3.516
LEU335
4.384
PHE337
4.208
PHE338
3.339
LEU341
4.233
PHE342
4.147
TRP364
3.973
THR371
3.839
PHE373
3.748
TRP374
2.875
GLN375
3.167
TRP377
2.429
ASN378
4.031
VAL381
4.024
HIS382
2.339
|
|||||
| PDB ID: 6VZ1 Cryo-EM structure of human diacylglycerol O-acyltransferase 1 complexed with acyl-CoA substrate | ||||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | No | [2] |
| PDB Sequence |
WELRCHRLQD
73 SLFSSDSGFS83 NYRGILNWCV93 VMLILSNARL103 FLENLIKYGI113 LVDPIQVVSL 123 FLKDPYSWPA133 PCLVIAANVF143 AVAAFQVEKR153 LAVGALTEQA163 GLLLHVANLA 173 TILCFPAAVV183 LLVESITPVG193 SLLALMAHTI203 LFLKLFSYRD213 VNSWCRRARA 223 KAASAAAPHT240 VSYPDNLTYR250 DLYYFLFAPT260 LCYELNFPRS270 PRIRKRFLLR 280 RILEMLFFTQ290 LQVGLIQQWM300 VPTIQNSMKP310 FKDMDYSRII320 ERLLKLAVPN 330 HLIWLIFFYW340 LFHSCLNAVA350 ELMQFGDREF360 YRDWWNSESV370 TYFWQNWNIP 380 VHKWCIRHFY390 KPMLRRGSSK400 WMARTGVFLA410 SAFFHEYLVS420 VPLRMFRLWA 430 FTGMMAQIPL440 AWFVGRFFQG450 NYGNAAVWLS460 LIIGQPIAVL470 MYVHDYYVLN 480 Y
|
|||||
|
|
PRO191
4.009
VAL192
4.422
LEU195
3.768
TRP334
4.135
THR371
4.399
TRP374
2.806
GLN375
1.296
TRP377
4.171
ASN378
4.924
VAL381
3.100
HIS382
1.301
CYS385
4.174
ILE386
3.483
TYR390
2.216
LYS391
4.110
LYS400
4.704
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and mechanism of human diacylglycerol O-acyltransferase?1. Nature. 2020 May;581(7808):329-332. | ||||
| REF 2 | Structure and catalytic mechanism of a human triacylglycerol-synthesis enzyme. Nature. 2020 May;581(7808):323-328. | ||||
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