3UXH
Design, Synthesis and Biological Evaluation of Potetent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors of 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, F (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, H (A, B) | FLAVIN-ADENINE DINUCLEOTIDE | non-polymer | 785.5 | 2 | Chemie (FAD) | |||
| 4 | E, G (A, B) | 6,8-diamino-7-chloro-1-methyl-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide | non-polymer | 291.7 | 2 | Chemie (UXH) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 379 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 230 (UniProt: P16083)
| PDB | External Database | Details |
|---|---|---|
| Phe 46 | Leu 47 | variant |
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 | 2285.3 | |
| All* | Total formula weight | 53984.0 |
