1QAY
TERNARY COMPLEX OF PSEUDOMONAS MEVALONII HMG-COA REDUCTASE WITH MEVALONATE AND NAD+
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 | 20 |
| Details | BINDING SITE FOR RESIDUE NAD B 1001 |
| Chain | Residue |
| A | GLU83 |
| B | GLY686 |
| B | ALA687 |
| B | ASN688 |
| B | THR689 |
| B | ASN691 |
| B | LEU714 |
| B | ASN716 |
| B | ASP783 |
| B | GLY830 |
| B | HOH2031 |
| A | THR264 |
| B | HOH2046 |
| A | LYS267 |
| A | HIS381 |
| A | MEV1002 |
| B | LEU652 |
| B | ARG682 |
| B | ASP683 |
| B | ALA684 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE MEV A 1002 |
| Chain | Residue |
| A | GLU83 |
| A | ARG261 |
| A | THR264 |
| A | HIS265 |
| A | LYS267 |
| A | GLY268 |
| A | ALA368 |
| A | LEU372 |
| B | ILE713 |
| B | NAD1001 |
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 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1dqa |
| Chain | Residue | Details |
| A | GLU83 | |
| A | HIS381 | |
| B | ARG721 | |
| B | ASP783 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1dqa |
| Chain | Residue | Details |
| A | ARG221 | |
| A | ASP283 | |
| B | GLU583 |
