3S9I
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Malate synthase G | polymer | 741 | 80456.7 | 1 | UniProt (P0A5J4) Pfam (PF20656) Pfam (PF20658) Pfam (PF01274) Pfam (PF20659) UniProt (by SIFTS) (P9WK17) | Mycobacterium tuberculosis | |
| 2 | B (A) | 2-4-DIOXO-4-PHENYLBUTANOIC ACID | non-polymer | 192.2 | 1 | Chemie (XI7) | |||
| 3 | C, D, E (A) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 4 | F (A) | water | water | 18.0 | 674 | Chemie (HOH) |
Sequence modifications
A: 1 - 741 (UniProt: P0A5J4)
| PDB | External Database | Details |
|---|---|---|
| Ala 619 | Cys 619 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 80456.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 265.1 | |
| All* | Total formula weight | 80721.8 |
