7T1I
Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385597
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) | Pantothenate kinase CAB1 | polymer | 375 | 41974.2 | 2 | UniProt (Q04430) Pfam (PF03630) | Saccharomyces cerevisiae S288C | Coenzyme A biosynthesis protein 1,Pantothenic acid kinase CAB1 |
| 2 | C, J (A, B) | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one | non-polymer | 394.5 | 2 | Chemie (E4C) | |||
| 3 | D, E, K, L (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | F, I, M (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | G, H (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 6 | N, O (A, B) | water | water | 18.0 | 223 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 367 (UniProt: Q04430)
| PDB | External Database | Details |
|---|---|---|
| Met -7 | - | initiating methionine |
| Ala -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 83948.4 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1571.7 | |
| All* | Total formula weight | 85520.1 |
