6ARI
Crystal structure of a dephospho-CoA kinase from Escherichia coli in complex with inhibitor CM078
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) | Dephospho-CoA kinase | polymer | 214 | 23620.7 | 2 | UniProt (P0A6I9) Pfam (PF01121) | Escherichia coli (strain K12) | Dephosphocoenzyme A kinase |
| 2 | C, I (A, B) | CITRIC ACID | non-polymer | 192.1 | 2 | Chemie (CIT) | |||
| 3 | D, J (A, B) | N-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide | non-polymer | 327.4 | 2 | Chemie (BQV) | |||
| 4 | E, F, G, H, K... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 5 | O, P (A, B) | water | water | 18.0 | 302 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 206 (UniProt: P0A6I9)
| PDB | External Database | Details |
|---|---|---|
| Gly 207 | - | expression tag |
| Ser 208 | - | expression tag |
| His 209 | - | expression tag |
| His 210 | - | expression tag |
| His 211 | - | expression tag |
| His 212 | - | expression tag |
| His 213 | - | expression tag |
| His 214 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 47241.3 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1535.7 | |
| All* | Total formula weight | 48777.0 |
