Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T41195 | Target Info | |||
| Target Name | Hydroxymethylglutaryl-CoA synthase 1 (HMGCS1) | ||||
| Synonyms | Hydroxymethylglutaryl-CoA synthase, cytoplasmic; HMGCS; HMG-CoA synthase; 3-hydroxy-3-methylglutaryl coenzyme A synthase 1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | HMGCS1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Coenzyme A | Ligand Info | |||||
| Structure Description | Crystal structure of human 3-hydroxy-3-methylglutaryl CoA synthase I | PDB:2P8U | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
NLYFQSMDVG
18 IVALEIYFPS28 QYVDQAELEK38 YDGVDAGKYT48 IGLGQAKMGF58 CTDREDINSL 68 CMTVVQNLME78 RNNLSYDCIG88 RLEVGTETII98 DKSKSVKTNL108 MQLFEESGNT 118 DIEGIDTTNA128 YGGTAAVFNA139 VNWIESSSWD149 GRYALVVAGD159 IAVYATGNAR 169 PTGGVGAVAL179 LIGPNAPLIF189 ERGLRGTHMQ199 HAYDFYKPDM209 LSEYPIVDGK 219 LSIQCYLSAL229 DRCYSVYCKK239 IHAQWQKEGN249 DKDFTLNDFG259 FMIFHSPYCK 269 LVQKSLARML279 LNDFLNDQNR289 DKNSIYSGLE299 AFGDVKLEDT309 YFDRDVEKAF 319 MKASSELFSQ329 KTKASLLVSN339 QNGNMYTSSV349 YGSLASVLAQ359 YSPQQLAGKR 369 IGVFSYGSGL379 AATLYSLKVT389 QDATPGSALD399 KITASLCDLK409 SRLDSRTGVA 419 PDVFAENMKL429 REDTHHLVNY439 IPQGSIDSLF449 EGTWYLVRVD459 EKHRRTYARR 469 P
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ASP43
3.597
ALA44
3.270
GLY45
3.486
LYS46
2.818
ILE49
3.946
GLY50
3.171
LEU51
4.217
TYR163
3.614
ASN167
2.628
ALA168
3.630
THR171
3.364
VAL216
3.760
GLY218
3.788
LYS219
4.790
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| Ligand Name: S-Acetyl-Cysteine | Ligand Info | |||||
| Structure Description | Crystal structure of human 3-hydroxy-3-methylglutaryl CoA synthase I | PDB:2P8U | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
NLYFQSMDVG
18 IVALEIYFPS28 QYVDQAELEK38 YDGVDAGKYT48 IGLGQAKMGF58 CTDREDINSL 68 CMTVVQNLME78 RNNLSYDCIG88 RLEVGTETII98 DKSKSVKTNL108 MQLFEESGNT 118 DIEGIDTTNA128 YGGTAAVFNA139 VNWIESSSWD149 GRYALVVAGD159 IAVYATGNAR 169 PTGGVGAVAL179 LIGPNAPLIF189 ERGLRGTHMQ199 HAYDFYKPDM209 LSEYPIVDGK 219 LSIQCYLSAL229 DRCYSVYCKK239 IHAQWQKEGN249 DKDFTLNDFG259 FMIFHSPYCK 269 LVQKSLARML279 LNDFLNDQNR289 DKNSIYSGLE299 AFGDVKLEDT309 YFDRDVEKAF 319 MKASSELFSQ329 KTKASLLVSN339 QNGNMYTSSV349 YGSLASVLAQ359 YSPQQLAGKR 369 IGVFSYGSGL379 AATLYSLKVT389 QDATPGSALD399 KITASLCDLK409 SRLDSRTGVA 419 PDVFAENMKL429 REDTHHLVNY439 IPQGSIDSLF449 EGTWYLVRVD459 EKHRRTYARR 469 P
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of human HMG-CoA synthase isoforms provide insights into inherited ketogenesis disorders and inhibitor design. J Mol Biol. 2010 May 14;398(4):497-506. | ||||
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