5WBR
Structure of human Ketohexokinase complexed with hits from fragment screening
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) | Ketohexokinase | polymer | 313 | 34076.6 | 2 | UniProt (P50053) Pfam (PF00294) | Homo sapiens (Human) | Hepatic fructokinase |
| 2 | C, F (A, B) | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile | non-polymer | 413.4 | 2 | Chemie (A3Y) | |||
| 3 | D, G, H, I, J (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 4 | E (A) | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) | |||
| 5 | K (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A, B: 5 - 298 (UniProt: P50053)
| PDB | External Database | Details |
|---|---|---|
| Met -14 | - | expression tag |
| Gly -13 | - | expression tag |
| Ser -12 | - | expression tag |
| Ser -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| Ser -4 | - | expression tag |
| Ser -3 | - | expression tag |
| Gly -2 | - | expression tag |
| Leu -1 | - | expression tag |
| Val 0 | - | expression tag |
| Pro 1 | - | expression tag |
| Arg 2 | - | expression tag |
| Gly 3 | - | expression tag |
| Ser 4 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 68153.2 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1591.4 | |
| All* | Total formula weight | 69744.6 |
