6XBE
Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E, G (A, B, C, D) | BlaNDM-4_1_JQ348841 | polymer | 248 | 26273.6 | 4 | 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 | B, D, F, H (F, G, H, I) | macrocycle inhibitor NDM1i-1F | polymer | 8 | 971.2 | 4 | BIRD (PRD_002397) | synthetic construct | |
| 3 | I, J, K, L, M... (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 12 | Chemie (ZN) | |||
| 4 | AA, BA, U, V, W... (D, I, A, F, B...) | water | water | 18.0 | 454 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 8 |
| Total formula weight | 108979.1 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 784.9 | |
| All* | Total formula weight | 109764.0 |
