4UY1
Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
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) | GROUP 10 SECRETORY PHOSPHOLIPASE A2 | polymer | 131 | 14426.4 | 2 | UniProt (O15496) Pfam (PF00068) | HOMO SAPIENS (HUMAN) | GX SPLA2, SPLA2-X, PHOSPHATIDYLCHOLINE 2-ACYLHYDROLASE 10 |
| 2 | C, N (A, B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 3 | D, E, O (A, B) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 3 | Chemie (1PE) | |||
| 4 | F, G, H, I, P... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 7 | Chemie (DMS) | |||
| 5 | J, S (A, B) | 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE | non-polymer | 221.3 | 2 | Chemie (TJM) | |||
| 6 | K, L, M, T, U... (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 6 | Chemie (PEG) | |||
| 7 | W, X (A, B) | water | water | 18.0 | 113 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 123 (UniProt: O15496)
| PDB | External Database | Details |
|---|---|---|
| Gln 124 | - | expression tag |
| Gly 125 | - | expression tag |
| Ile 126 | - | expression tag |
| Leu 127 | - | expression tag |
| Glu 128 | - | expression tag |
| Leu 129 | - | expression tag |
| Ala 130 | - | expression tag |
| Gly 131 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 28852.9 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 2421.2 | |
| All* | Total formula weight | 31274.1 |
