1S1R
Crystal structures of prostaglandin D2 11-ketoreductase (AKR1C3) in complex with the non-steroidal anti-inflammatory drugs flufenamic acid and indomethacin
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Aldo-keto reductase family 1 member C3 | polymer | 331 | 37967.4 | 1 | UniProt (P42330) Pfam (PF00248) | Homo sapiens (human) | AKR1C3, prostaglandin D2 11-ketoreductase, Prostaglandin F synthase, 3-alpha-HSD-type-2, 17-beta-HSD-type-5 |
| 2 | B (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 3 | C (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 4 | D (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 5 | E (A) | water | water | 18.0 | 294 | Chemie (HOH) |
Sequence modifications
A: 1 - 323 (UniProt: P42330)
| PDB | External Database | Details |
|---|---|---|
| Leu 324 | - | expression tag |
| Glu 325 | - | expression tag |
| His 326 | - | expression tag |
| His 327 | - | expression tag |
| His 328 | - | expression tag |
| His 329 | - | expression tag |
| His 330 | - | expression tag |
| His 331 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37967.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 920.6 | |
| All* | Total formula weight | 38888.0 |
