3CV6
The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+.
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 C21 | polymer | 323 | 37004.7 | 2 | UniProt (Q91WR5) Pfam (PF00248) | Mus musculus (Mouse) | 17-alpha-hydroxysteroid dehydrogenase, 17-alpha-HSD, 3-alpha-hydroxysteroid dehydrogenase, Dihydrodiol dehydrogenase type 1, DD1, Dihydrodiol dehydrogenase type 3, DD3 |
| 2 | C, G (A, B) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 2 | Chemie (NAP) | |||
| 3 | D, H (A, B) | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | non-polymer | 270.4 | 2 | Chemie (HXS) | |||
| 4 | E, F, I, J, K (A, B) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 5 | Chemie (BME) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 664 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 323 (UniProt: Q91WR5)
| PDB | External Database | Details |
|---|---|---|
| Leu 27 | Val 27 | SEE REMARK 999 |
| His 60 | Arg 60 | SEE REMARK 999 |
| His 91 | Arg 91 | SEE REMARK 999 |
| Glu 100 | Val 100 | SEE REMARK 999 |
| Tyr 170 | Ser 170 | SEE REMARK 999 |
| Pro 225 | Gly 225 | engineered mutation |
| Pro 226 | Gly 226 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74009.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2418.2 | |
| All* | Total formula weight | 76427.6 |
