3O2N
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 | Ribosyldihydronicotinamide dehydrogenase [quinone] | polymer | 230 | 25849.3 | 2 | UniProt (P16083) Pfam (PF02525) In PDB | Homo sapiens (human) | NRH dehydrogenase [quinone] 2, NRH:quinone oxidoreductase 2, Quinone reductase 2, QR2 |
2 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
3 | A, B | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
4 | A, B | 5,8-dimethoxy-4-methylquinolin-2(1H)-one | non-polymer | 219.2 | 3 | Chemie (MZX) | |||
5 | water | water | 18.0 | 396 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 51698.7 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 2359.6 | |
All* | Total formula weight | 54058.3 |