8JP1
Crystal structure of AKR1C3 in complex with DFV
Functional Information from PROSITE/UniProt
| site_id | PS00062 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF |
| Chain | Residue | Details |
| A | MET151-PHE168 |
| site_id | PS00063 |
| Number of Residues | 16 |
| Details | ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. LAKSYNeqRIrQNvQV |
| Chain | Residue | Details |
| A | LEU268-VAL283 |
| site_id | PS00798 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GFRHIDSAhlynnEeqVG |
| Chain | Residue | Details |
| A | GLY45-GLY62 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000250 |
| Chain | Residue | Details |
| A | TYR55 | |
| B | TYR55 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14979715, ECO:0000269|PubMed:14996743, ECO:0000269|PubMed:15087468 |
| Chain | Residue | Details |
| A | THR23 | |
| B | SER166 | |
| B | GLN190 | |
| B | TYR216 | |
| B | LYS270 | |
| B | ARG276 | |
| A | ASP50 | |
| A | SER166 | |
| A | GLN190 | |
| A | TYR216 | |
| A | LYS270 | |
| A | ARG276 | |
| B | THR23 | |
| B | ASP50 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS117 | |
| B | HIS117 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | SITE: Important for substrate specificity => ECO:0000250 |
| Chain | Residue | Details |
| A | LEU54 | |
| B | LEU54 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Lowers pKa of active site Tyr => ECO:0000250|UniProtKB:P14550 |
| Chain | Residue | Details |
| A | LYS84 | |
| B | LYS84 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | SITE: Involved in ligand recognition and product release => ECO:0000269|PubMed:15087468 |
| Chain | Residue | Details |
| A | TRP227 | |
| A | PHE306 | |
| B | TRP227 | |
| B | PHE306 |
