3ONB
Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with hAR T113A mutant after extensive radiation dose
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 | 315 | 35737.1 | 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 (A) | IDD594 | non-polymer | 416.2 | 1 | Chemie (LDT) | |||
| 4 | D (A) | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 5 | E (A) | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) | |||
| 6 | F (A) | water | water | 18.0 | 372 | Chemie (HOH) |
Sequence modifications
A: 1 - 315 (UniProt: P15121)
| PDB | External Database | Details |
|---|---|---|
| Ile 4 | Leu 5 | SEE REMARK 999 |
| Ala 113 | Thr 114 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35737.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1431.7 | |
| All* | Total formula weight | 37168.8 |
