8R5T
Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
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 | 25776.0 | 2 | UniProt (C7C422) | 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 (A) | [(1~{R},3~{a}~{R})-1,3,3~{a},4-tetrahydro-[1,3]thiazolo[3,4-a]benzimidazol-1-yl]methanethiol | non-polymer | 224.3 | 1 | Chemie (Y4E) | |||
| 3 | D, E, H, I (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 4 | F, G (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | J, K (A, B) | water | water | 18.0 | 343 | Chemie (HOH) |
Sequence modifications
A, B: 29 - 270 (UniProt: C7C422)
| PDB | External Database | Details |
|---|---|---|
| Gly 27 | - | expression tag |
| Ser 28 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51551.9 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 678.1 | |
| All* | Total formula weight | 52230.0 |
