2P8U
Crystal structure of human 3-hydroxy-3-methylglutaryl CoA synthase I
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| A | 0006084 | biological_process | acetyl-CoA metabolic process |
| A | 0008299 | biological_process | isoprenoid biosynthetic process |
| A | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| A | 0016746 | molecular_function | acyltransferase activity |
| B | 0004421 | molecular_function | hydroxymethylglutaryl-CoA synthase activity |
| B | 0006084 | biological_process | acetyl-CoA metabolic process |
| B | 0008299 | biological_process | isoprenoid biosynthetic process |
| B | 0010142 | biological_process | farnesyl diphosphate biosynthetic process, mevalonate pathway |
| B | 0016746 | molecular_function | acyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE COA A 601 |
| Chain | Residue |
| A | ASP43 |
| A | SER221 |
| A | PRO266 |
| A | TYR267 |
| A | LYS269 |
| A | LEU270 |
| A | LYS273 |
| A | HOH1097 |
| A | HOH1252 |
| A | ALA44 |
| A | GLY45 |
| A | LYS46 |
| A | GLY50 |
| A | TYR163 |
| A | ASN167 |
| A | ALA168 |
| A | THR171 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 981 |
| Chain | Residue |
| A | LYS461 |
| A | ARG463 |
| B | LYS461 |
| B | ARG463 |
| B | HOH795 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE COA B 601 |
| Chain | Residue |
| B | ALA44 |
| B | GLY45 |
| B | LYS46 |
| B | GLY50 |
| B | TYR163 |
| B | ASN167 |
| B | ALA168 |
| B | THR171 |
| B | SER221 |
| B | PRO266 |
| B | TYR267 |
| B | LYS269 |
| B | LEU270 |
| B | LYS273 |
| B | HOH638 |
| B | HOH698 |
| B | HOH774 |
| B | HOH776 |
| B | HOH819 |
| B | HOH866 |
| B | HOH895 |
| B | HOH909 |
| B | HOH912 |
| B | HOH936 |
| B | HOH966 |
Functional Information from PROSITE/UniProt
| site_id | PS01226 |
| Number of Residues | 16 |
| Details | HMG_COA_SYNTHASE Hydroxymethylglutaryl-coenzyme A synthase active site. NtDIEGIDttNACYgG |
| Chain | Residue | Details |
| A | ASN117-GLY132 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor/acceptor => ECO:0000255|PROSITE-ProRule:PRU10116 |
| Chain | Residue | Details |
| A | GLU95 | |
| A | HIS264 | |
| B | GLU95 | |
| B | HIS264 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Acyl-thioester intermediate |
| Chain | Residue | Details |
| A | SCY129 | |
| B | SCY129 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20346956, ECO:0007744|PDB:2P8U |
| Chain | Residue | Details |
| A | ALA44 | |
| B | LYS273 | |
| A | ASN167 | |
| A | SER221 | |
| A | LYS269 | |
| A | LYS273 | |
| B | ALA44 | |
| B | ASN167 | |
| B | SER221 | |
| B | LYS269 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| A | LYS46 | |
| A | LYS273 | |
| B | LYS46 | |
| B | LYS273 |
