6MWK
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0883
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 | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | polymer | 166 | 17495.9 | 3 | UniProt (Q3JRA0) Pfam (PF02542) In PDB | Burkholderia pseudomallei (strain 1710b) | MECPS |
| 2 | A, B, C | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 3 | A, B, C | 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide | non-polymer | 280.3 | 3 | Chemie (K4Y) | |||
| 4 | A, B, C | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 5 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | B | MALONIC ACID | non-polymer | 104.1 | 1 | Chemie (MLA) | |||
| 7 | water | water | 18.0 | 441 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 162 (UniProt: Q3JRA0)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Pro -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 52487.6 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1478.0 | |
| All* | Total formula weight | 53965.7 |
