3RV6
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group
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) | Isochorismate synthase/isochorismate-pyruvate lyase mbtI | polymer | 450 | 48779.2 | 2 | UniProt (Q7D785) Pfam (PF00425) UniProt (by SIFTS) (P9WFX1) | Mycobacterium tuberculosis | Mycobactin synthase protein I, Salicylate synthase mbtI |
| 2 | C (A) | 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid | non-polymer | 300.3 | 1 | Chemie (VAE) | |||
| 3 | D, I (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | F, G, H, J (A, B) | 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid | non-polymer | 300.3 | 4 | Chemie (RVA) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 618 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 450 (UniProt: Q7D785)
| PDB | External Database | Details |
|---|---|---|
| Val 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 97558.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1646.0 | |
| All* | Total formula weight | 99204.3 |
