7UP3
NDM1-inhibitor co-structure
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 | polymer | 248 | 26294.6 | 2 | UniProt (E9NWK5) Pfam (PF00753) | Klebsiella pneumoniae | Metallo-beta-lactamase NDM-1,Metallo-beta-lactamase,NDM-1,Metallobetalactamase NDM-1,NDM1 metallo-beta-lactamase,New Delhi Metallo carbapenemase-1,New Delhi metallo beta lactamase 1,New Delhi metallo-beta-lactamase NDM-1,Subclass B1 metallo-beta-lactamase NDM-1 |
| 2 | C, D, F, H, I... (A, B) | CADMIUM ION | non-polymer | 112.4 | 6 | Chemie (CD) | |||
| 3 | E, J (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | G, L (A, B) | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide | non-polymer | 332.3 | 2 | Chemie (NZ0) | |||
| 5 | M (B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 6 | N, O (A, B) | water | water | 18.0 | 311 | Chemie (HOH) |
Sequence modifications
A, B: 29 - 270 (UniProt: E9NWK5)
| PDB | External Database | Details |
|---|---|---|
| Gly 23 | - | expression tag |
| Ser 24 | - | expression tag |
| Lys 25 | - | expression tag |
| Leu 26 | - | expression tag |
| Glu 27 | - | expression tag |
| Phe 28 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 52589.2 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1708.3 | |
| All* | Total formula weight | 54297.4 |
