6XCI
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (B, A) | BlaNDM-4_1_JQ348841 | polymer | 248 | 26273.6 | 2 | UniProt (E9NWK5) Pfam (PF00753) | Klebsiella pneumoniae | Metallo beta-lactamase,Metallo-beta-lactamase NDM-1,Metallo-beta-lactamase,NDM-1,NDM1 metallo-beta-lactamase,New Delhi Metallo carbapenemase-1,New Delhi metallo-beta-lactamase NDM-1,New Delhi metallo-beta-lactamse 1 |
| 2 | C (H) | Macrocycle NDM1i-3D | polymer | 8 | 975.2 | 1 | BIRD (PRD_002399) | synthetic construct | |
| 3 | D (B) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | E, I (B, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | F, G, H, J (B, A) | CADMIUM ION | non-polymer | 112.4 | 4 | Chemie (CD) | |||
| 6 | K, L, M (B, A, H) | water | water | 18.0 | 356 | Chemie (HOH) |
Sequence modifications
B, A: 27 - 270 (UniProt: E9NWK5)
| PDB | External Database | Details |
|---|---|---|
| Gly 23 | - | expression tag |
| Ser 24 | - | expression tag |
| His 25 | - | expression tag |
| Met 26 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 53522.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 639.5 | |
| All* | Total formula weight | 54161.9 |
