3NHS
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
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) | Ribosyldihydronicotinamide dehydrogenase [quinone] | polymer | 230 | 25849.3 | 2 | UniProt (P16083) Pfam (PF02525) | Homo sapiens (human) | NRH dehydrogenase [quinone] 2, NRH:quinone oxidoreductase 2, Quinone reductase 2, QR2 |
| 2 | C, E (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, F (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 4 | G, H (B) | 5,8-dimethoxy-4-methylquinolin-2(1H)-one | non-polymer | 219.2 | 2 | Chemie (MZX) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 265 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51698.7 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2140.4 | |
| All* | Total formula weight | 53839.1 |
