4EZJ
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | polymer | 966 | 110699.0 | 1 | UniProt (P48736) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) | Homo sapiens (human) | PI3-kinase subunit gamma, PI3K-gamma, PI3Kgamma, PtdIns-3-kinase subunit gamma, Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit gamma, PtdIns-3-kinase subunit p110-gamma, p110gamma, Phosphoinositide-3-kinase catalytic gamma polypeptide, Serine/threonine protein kinase PIK3CG, p120-PI3K |
| 2 | B (A) | 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol | non-polymer | 504.6 | 1 | Chemie (0SC) | |||
| 3 | C (A) | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
A: 144 - 1102 (UniProt: P48736)
| PDB | External Database | Details |
|---|---|---|
| Met 143 | - | expression tag |
| Thr 802 | Lys 802 | engineered mutation |
| His 1103 | - | expression tag |
| His 1104 | - | expression tag |
| His 1105 | - | expression tag |
| His 1106 | - | expression tag |
| His 1107 | - | expression tag |
| His 1108 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 110699.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 504.6 | |
| All* | Total formula weight | 111203.6 |
