4WRH
AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide
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 | 37977.4 | 1 | UniProt (P42330) Pfam (PF00248) | Homo sapiens (Human) | 17-beta-hydroxysteroid dehydrogenase type 5,17-beta-HSD 5,3-alpha-HSD type II,brain,3-alpha-hydroxysteroid dehydrogenase type 2,3-alpha-HSD type 2,Chlordecone reductase homolog HAKRb,Dihydrodiol dehydrogenase 3,DD3,Dihydrodiol dehydrogenase type I,HA1753,Indanol dehydrogenase,Prostaglandin F synthase,PGFS,Testosterone 17-beta-dehydrogenase 5,Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 3 | C (A) | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide | non-polymer | 300.8 | 1 | Chemie (YY2) | |||
| 4 | D (A) | 5-methyl-4H-1,2,4-triazole-3-thiol | non-polymer | 115.2 | 1 | Chemie (YY1) | |||
| 5 | E, F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 6 | G (A) | water | water | 18.0 | 204 | 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 | 37977.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1283.5 | |
| All* | Total formula weight | 39260.8 |
