8A76
Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26
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 NDM-1 | polymer | 241 | 25474.6 | 2 | UniProt (M4JT39) Pfam (PF00753) | Pseudomonas aeruginosa | |
| 2 | C, D, P, Q (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, O, R, S (A, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 4 | F (A) | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid | non-polymer | 474.6 | 1 | Chemie (L82) | |||
| 5 | G, I, M, U, V... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 6 | H, J, K, L, N (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 7 | T (B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 1 | Chemie (EPE) | |||
| 8 | AA, Z (B, A) | water | water | 18.0 | 298 | Chemie (HOH) |
Sequence modifications
A, B: 30 - 270 (UniProt: M4JT39)
| PDB | External Database | Details |
|---|---|---|
| - | Arg 27 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 50949.3 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2162.0 | |
| All* | Total formula weight | 53111.2 |
