4I6W
3-hydroxy-3-methylglutaryl (HMG) Coenzyme-A reductase complexed with thiomevalonate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
| A | 0015936 | biological_process | coenzyme A metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| A | 0140643 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADH) activity |
| B | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
| B | 0015936 | biological_process | coenzyme A metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| B | 0140643 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADH) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 1CO A 501 |
| Chain | Residue |
| A | GLU83 |
| A | ARG261 |
| A | THR264 |
| A | LYS267 |
| A | ASN271 |
| A | ALA368 |
| A | GOL504 |
| A | HOH610 |
| B | HOH1128 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 502 |
| Chain | Residue |
| A | ALA184 |
| A | MET185 |
| A | GLY186 |
| A | ALA187 |
| A | ASN188 |
| A | THR189 |
| A | GLY329 |
| A | HOH631 |
| A | HOH740 |
| A | HOH807 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 503 |
| Chain | Residue |
| A | ARG6 |
| A | LEU7 |
| A | PRO8 |
| A | ARG11 |
| A | ASN67 |
| A | LYS95 |
| A | HOH917 |
| A | HOH930 |
| A | HOH963 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 504 |
| Chain | Residue |
| A | SER85 |
| A | ASN271 |
| A | GLN364 |
| A | 1CO501 |
| A | HOH813 |
| A | HOH948 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 1CO B 1001 |
| Chain | Residue |
| A | HOH617 |
| B | GLU583 |
| B | ARG761 |
| B | THR764 |
| B | LYS767 |
| B | ASN771 |
| B | ALA868 |
| B | LEU872 |
| B | GOL1004 |
| B | HOH1103 |
| B | HOH1196 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1002 |
| Chain | Residue |
| B | ALA684 |
| B | MET685 |
| B | GLY686 |
| B | ALA687 |
| B | ASN688 |
| B | HOH1134 |
| B | HOH1204 |
| B | HOH1339 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1003 |
| Chain | Residue |
| B | PRO508 |
| B | ALA509 |
| B | LYS595 |
| B | HOH1380 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1004 |
| Chain | Residue |
| B | ASN771 |
| B | GLN864 |
| B | ALA868 |
| B | 1CO1001 |
| B | HOH1304 |
Functional Information from PROSITE/UniProt
| site_id | PS00066 |
| Number of Residues | 15 |
| Details | HMG_COA_REDUCTASE_1 Hydroxymethylglutaryl-coenzyme A reductases signature 1. HlIVdVRDaMGaNtV |
| Chain | Residue | Details |
| A | HIS176-VAL190 |
| site_id | PS00318 |
| Number of Residues | 8 |
| Details | HMG_COA_REDUCTASE_2 Hydroxymethylglutaryl-coenzyme A reductases signature 2. VGlVGGAT |
| Chain | Residue | Details |
| A | VAL325-THR332 |
| site_id | PS01192 |
| Number of Residues | 14 |
| Details | HMG_COA_REDUCTASE_3 Hydroxymethylglutaryl-coenzyme A reductases signature 3. ALaTegIqRGHMaL |
| Chain | Residue | Details |
| A | ALA371-LEU384 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | ACT_SITE: Charge relay system |
| Chain | Residue | Details |
| A | GLU83 | |
| A | LYS267 | |
| A | ASP283 | |
| B | GLU583 | |
| B | LYS767 | |
| B | ASP783 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10003, ECO:0000269|PubMed:1634543 |
| Chain | Residue | Details |
| A | HIS381 | |
| B | HIS881 |
