6IBV
Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1
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 type 2 | polymer | 244 | 25860.1 | 2 | UniProt (C7C422) Pfam (PF00753) | Klebsiella pneumoniae | B2 metallo-beta-lactamase,Beta-lactamase type II,Metallo-beta-lactamase NDM-1,Metallo-beta-lactamase type II,New Delhi metallo-beta-lactamase-1,NDM-1 |
| 2 | C, J (A, B) | [5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide | non-polymer | 287.9 | 2 | Chemie (H9E) | |||
| 3 | D, E, K, L (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 4 | F, G, H (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 5 | I (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | M (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 7 | N, O (A, B) | water | water | 18.0 | 550 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51720.3 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1060.2 | |
| All* | Total formula weight | 52780.5 |
