5U94
Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the potential theraputic kinase inhibitor GSK690693.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Serine/threonine-protein kinase PknB | polymer | 285 | 30827.7 | 1 | UniProt (P9WI81) Pfam (PF00069) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | |
| 2 | B (A) | 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol | non-polymer | 425.5 | 1 | Chemie (G93) | |||
| 3 | C, D, E, F, G... (A) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 4 | K (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | L (A) | water | water | 18.0 | 44 | Chemie (HOH) |
Sequence modifications
A: 1 - 280 (UniProt: P9WI81)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 30827.7 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1186.5 | |
| All* | Total formula weight | 32014.3 |
