3KXO
An orally active inhibitor bound at the active site of HPGDS
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) | Glutathione-requiring prostaglandin D synthase | polymer | 202 | 23653.1 | 2 | UniProt (O60760) Pfam (PF02798) Pfam (PF14497) | Homo sapiens (human) | Glutathione-dependent PGD synthetase, Prostaglandin-H2 D-isomerase, Hematopoietic prostaglandin D synthase, H-PGDS |
| 2 | C, F (A, B) | GLUTATHIONE | non-polymer | 307.3 | 2 | Chemie (GSH) | |||
| 3 | D, G (A, B) | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide | non-polymer | 381.4 | 2 | Chemie (KXO) | |||
| 4 | E (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 393 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 199 (UniProt: O60760)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | insertion |
| Ser -1 | - | insertion |
| His 0 | - | insertion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 47306.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1401.7 | |
| All* | Total formula weight | 48707.9 |
