3VEH
Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Isochorismate synthase/isochorismate-pyruvate lyase mbtI | polymer | 451 | 48827.2 | 4 | UniProt (Q7D785) Pfam (PF00425) UniProt (by SIFTS) (P9WFX1) | Mycobacterium tuberculosis | Mycobactin synthase protein I, Salicylate synthase mbtI |
| 2 | E, H, L, R (A, B, C, D) | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid | non-polymer | 238.2 | 4 | Chemie (0GA) | |||
| 3 | F, I, M (A, B, C) | THIOCYANATE ION | non-polymer | 58.1 | 3 | Chemie (SCN) | |||
| 4 | G, J, O, Q (A, B, C) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | K, S (B, D) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 6 | N, P (C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 7 | T, U, V, W (A, B, C, D) | water | water | 18.0 | 981 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 449 (UniProt: Q7D785)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 195309.0 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1785.8 | |
| All* | Total formula weight | 197094.8 |
