9FB3
Human Aldose Reductase in Complex with a Covalent Ligand
This is a non-PDB format compatible entry.
Functional Information from PROSITE/UniProt
| site_id | PS00062 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MeelvdeglVKAIGISNF |
| Chain | Residue | Details |
| A | MET144-PHE161 |
| site_id | PS00063 |
| Number of Residues | 16 |
| Details | ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. IPKSVTpeRIaENfKV |
| Chain | Residue | Details |
| A | ILE260-VAL275 |
| site_id | PS00798 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRHIDCAhvyqnEneVG |
| Chain | Residue | Details |
| A | GLY38-GLY55 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"15272156","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 9 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 62 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"15146478","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15272156","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16337231","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17368668","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17418233","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17505104","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Site: {"description":"Lowers pKa of active site Tyr"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N-acetylalanine","evidences":[{"source":"PubMed","id":"8281941","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19413330","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P07943","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 725 |
| Chain | Residue | Details |
| A | ASP43 | electrostatic stabiliser |
| A | TYR48 | proton acceptor, proton donor |
| A | LYS77 | electrostatic stabiliser, modifies pKa |
| A | HIS110 | electrostatic stabiliser |
