8B20
NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57
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) | Beta-lactamase NDM-1 | polymer | 242 | 25631.8 | 2 | UniProt (F6IAY7) | Pseudomonas aeruginosa | Metallo-beta-lactamase,Metallo-beta-lactamase NDM-1,New Delhi metallo-beta-lactamase 1,Subclass B1 metallo-beta-lactamase NDM-1 |
| 2 | C, D, I, J (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, K (A, B) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 4 | G, M, N (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | H (A) | 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid | non-polymer | 392.4 | 1 | Chemie (OQK) | |||
| 6 | L (B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 7 | O, P (A, B) | water | water | 18.0 | 134 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51263.6 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1198.7 | |
| All* | Total formula weight | 52462.4 |
