8RRJ
The structural basis of aldo-keto reductase 1C3 inhibition by 17alpha-picolyl and 17(E)-picolinylidene androstane derivatives
This is a non-PDB format compatible entry.
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 C3 | polymer | 326 | 37188.5 | 2 | 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,DD-3,DD3,Dihydrodiol dehydrogenase type I,HA1753,Prostaglandin F synthase,PGFS,Testosterone 17-beta-dehydrogenase 5 |
| 2 | C, J (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 3 | D, K (A, B) | (3~{Z},8~{R},9~{S},10~{R},13~{S},14~{S},17~{R})-3-hydroxyimino-10,13-dimethyl-17-(pyridin-2-ylmethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-ol | non-polymer | 394.6 | 2 | Chemie (A1H2U) | |||
| 4 | E, F, G, H, I... (A, B) | SODIUM ION | non-polymer | 23.0 | 11 | Chemie (NA) | |||
| 5 | R, S (A, B) | water | water | 18.0 | 581 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 323 (UniProt: P42330)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74377.0 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 2528.8 | |
| All* | Total formula weight | 76905.8 |
