8UG1
Crystal structure of KHK-C and compound 13
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 | 315 | 34276.8 | 2 | UniProt (P50053) Pfam (PF00294) | Homo sapiens (human) | |
| 2 | C, H (A, B) | {(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol | non-polymer | 382.4 | 2 | Chemie (WNH) | |||
| 3 | D, E, F, I, J... (A, B) | SULFATE ION | non-polymer | 96.1 | 8 | Chemie (SO4) | |||
| 4 | G, N, O (A, B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | P, Q (A, B) | water | water | 18.0 | 322 | Chemie (HOH) |
Sequence modifications
A, B: 5 - 298 (UniProt: P50053)
| PDB | External Database | Details |
|---|---|---|
| Met -16 | - | expression tag |
| Ser -15 | - | expression tag |
| Leu -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 | 68553.6 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1809.6 | |
| All* | Total formula weight | 70363.2 |
