3H4G
Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor Fidarestat: Implications for inhibitor binding and selectivity
Replaces: 2AO0Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Alcohol dehydrogenase [NADP+] | polymer | 325 | 36627.0 | 1 | UniProt (P50578) Pfam (PF00248) | Sus scrofa (pigs) | Aldehyde reductase, Aldo-keto reductase family 1 member A1 |
| 2 | B (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | C (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) | |||
| 4 | D (A) | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE | non-polymer | 279.2 | 1 | Chemie (FID) | |||
| 5 | E (A) | water | water | 18.0 | 255 | Chemie (HOH) |
Sequence modifications
A: 1 - 325 (UniProt: P50578)
| PDB | External Database | Details |
|---|---|---|
| Gln 61 | Thr 61 | SEE REMARK 999 |
| Leu 271 | Pro 271 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36627.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1118.7 | |
| All* | Total formula weight | 37745.6 |
