4I4B
HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of HMG-CoA
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 | 39 |
| Details | BINDING SITE FOR RESIDUE 1CV A 501 |
| Chain | Residue |
| A | ARG11 |
| A | LYS267 |
| A | ASN271 |
| A | GLY367 |
| A | ALA368 |
| A | ILE377 |
| A | GLY380 |
| A | LEU384 |
| A | HOH601 |
| A | HOH607 |
| A | HOH614 |
| A | GLU83 |
| A | HOH635 |
| A | HOH637 |
| A | HOH640 |
| A | HOH663 |
| A | HOH717 |
| A | HOH783 |
| A | HOH792 |
| A | HOH797 |
| A | HOH813 |
| A | HOH823 |
| A | SER85 |
| A | HOH835 |
| A | HOH838 |
| A | HOH879 |
| A | HOH966 |
| A | HOH972 |
| A | HOH973 |
| B | GLU552 |
| B | ASN553 |
| B | ILE713 |
| B | NAD1001 |
| A | ALA88 |
| A | ALA89 |
| A | TYR92 |
| A | LYS95 |
| A | ARG261 |
| A | THR264 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 502 |
| Chain | Residue |
| A | TYR294 |
| A | ARG297 |
| A | SER303 |
| A | HOH625 |
| A | HOH626 |
| A | HOH686 |
| A | HOH923 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SO4 A 503 |
| Chain | Residue |
| A | ALA184 |
| A | MET185 |
| A | GLY186 |
| A | ALA187 |
| A | ASN188 |
| A | THR189 |
| A | GLY329 |
| A | HOH666 |
| A | HOH842 |
| A | HOH868 |
| A | HOH1020 |
| site_id | AC4 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD B 1001 |
| Chain | Residue |
| A | GLU83 |
| A | LYS267 |
| A | HIS385 |
| A | ILE389 |
| A | VAL392 |
| A | ALA415 |
| A | 1CV501 |
| A | HOH899 |
| B | ASP646 |
| B | LEU648 |
| B | LEU652 |
| B | VAL681 |
| B | ARG682 |
| B | ASP683 |
| B | ALA684 |
| B | MET685 |
| B | GLY686 |
| B | ALA687 |
| B | ASN688 |
| B | THR689 |
| B | ASN691 |
| B | LEU714 |
| B | ASN716 |
| B | ASP783 |
| B | ALA786 |
| B | GLY829 |
| B | GLY830 |
| B | HOH1110 |
| B | HOH1112 |
| B | HOH1152 |
| B | HOH1300 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 1CO B 1002 |
| Chain | Residue |
| A | ILE213 |
| A | HOH762 |
| B | GLU583 |
| B | ARG761 |
| B | THR764 |
| B | LYS767 |
| B | ASN771 |
| B | ALA868 |
| B | LEU872 |
| B | HOH1103 |
| B | HOH1157 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1003 |
| Chain | Residue |
| B | ARG506 |
| B | ARG598 |
| B | ALA599 |
| B | HOH1206 |
| B | HOH1283 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1004 |
| Chain | Residue |
| B | ALA589 |
| B | GLN864 |
| B | HOH1154 |
| B | HOH1159 |
| B | HOH1396 |
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 | Active site: {"description":"Charge relay system"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10003","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"1634543","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
