7C7G
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2j
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Aldo-keto reductase family 1 member C3 | polymer | 325 | 37050.4 | 2 | UniProt (P42330) Pfam (PF00248) In PDB | Homo sapiens (Human) | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
| 2 | A, B | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 3 | A, B | 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide | non-polymer | 294.3 | 2 | Chemie (FJR) | |||
| 4 | water | water | 18.0 | 315 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 323 (UniProt: P42330)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74100.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2075.4 | |
| All* | Total formula weight | 76176.1 |
