3T42
Human aldose reductase in complex with a nitrile-containing IDD inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Aldose reductase | polymer | 319 | 36180.6 | 1 | UniProt (P15121) Pfam (PF00248) | Homo sapiens (human) | AR, Aldehyde reductase, Aldo-keto reductase family 1 member B1 |
| 2 | B (A) | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 743.4 | 1 | Chemie (NAP) PubChem (4412) PubChem (46936685) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (71717786) PubChem (5885) PubChem (165382010) | |||
| 3 | C (A) | {5-chloro-2-[(4-cyano-3-nitrobenzyl)carbamoyl]phenoxy}acetic acid | non-polymer | 389.7 | 1 | Chemie (3T4) PubChem (53377509) | |||
| 4 | D (A) | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) PubChem (311) | |||
| 5 | E (A) | water | water | 18.0 | 431 | Chemie (HOH) |
Sequence modifications
A: 1001 - 315 (UniProt: P15121)
| PDB | External Database | Details |
|---|---|---|
| Gly 998 | - | expression tag |
| Ser 999 | - | expression tag |
| His 1000 | - | expression tag |
| Ile 4 | Leu 5 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36180.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1325.3 | |
| All* | Total formula weight | 37505.9 |
