6TGD
Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31
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) | Metallo-beta-lactamase NDM-1 | polymer | 241 | 25474.6 | 2 | UniProt (M4JT39) Pfam (PF00753) | Pseudomonas aeruginosa | |
| 2 | C, D, H, I (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, J, K (A, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 4 | G, L (A, B) | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione | non-polymer | 262.3 | 2 | Chemie (N8Q) | |||
| 5 | M, N (A, B) | water | water | 18.0 | 346 | Chemie (HOH) |
Sequence modifications
A, B: 30 - 270 (UniProt: M4JT39)
| PDB | External Database | Details |
|---|---|---|
| - | Arg 27 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 50949.3 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 946.6 | |
| All* | Total formula weight | 51895.9 |
