8BBS
Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | B, A | Aldo-keto reductase family 1 member C3 | polymer | 326 | 37188.5 | 2 | UniProt (P42330) Pfam (PF00248) In PDB | 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 | B, A | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 3 | B, A | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid | non-polymer | 430.6 | 2 | Chemie (QBO) | |||
| 4 | B, A | SODIUM ION | non-polymer | 23.0 | 9 | Chemie (NA) | |||
| 5 | water | water | 18.0 | 727 | Chemie (HOH) |
Sequence modifications
B, A: 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 | 13 |
| Total formula weight | 2554.9 | |
| All* | Total formula weight | 76931.9 |
