4JTR
AKR1C2 complex with ibuprofen
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Aldo-keto reductase family 1 member C2 | polymer | 331 | 37857.4 | 2 | UniProt (P52895) Pfam (PF00248) | Homo sapiens (human) | 3-alpha-HSD3, Chlordecone reductase homolog HAKRD, Dihydrodiol dehydrogenase 2, DD-2, DD2, Dihydrodiol dehydrogenase/bile acid-binding protein, DD/BABP, Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase, Type III 3-alpha-hydroxysteroid dehydrogenase |
| 2 | C (A) | IBUPROFEN | non-polymer | 206.3 | 1 | Chemie (IBP) | |||
| 3 | D, I (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 4 | E, F, G, J, K... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 5 | H (B) | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid | non-polymer | 206.3 | 1 | Chemie (IZP) | |||
| 6 | M (B) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 7 | N (B) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TLA) | |||
| 8 | O, P (A, B) | water | water | 18.0 | 631 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 323 (UniProt: P52895)
| 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 | 2 |
| Total formula weight | 75714.8 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2516.8 | |
| All* | Total formula weight | 78231.7 |
