3P2V
Novel Benzothiazepine Inhibitor in Complex with human Aldose Reductase
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 | 316 | 35898.3 | 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) | |||
| 3 | C, D (A) | [(2S)-4-oxo-2-phenyl-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetic acid | non-polymer | 313.4 | 2 | Chemie (DOY) | |||
| 4 | E (A) | water | water | 18.0 | 239 | Chemie (HOH) |
Sequence modifications
A: 0 - 315 (UniProt: P15121)
| PDB | External Database | Details |
|---|---|---|
| Ile 4 | Leu 5 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35898.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1370.1 | |
| All* | Total formula weight | 37268.5 |
