3T8M
Rational Design of PI3K-alpha Inhibitors that Exhibit Selectivity Over the PI3K-beta Isoform
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | polymer | 966 | 110727.1 | 1 | UniProt (P48736) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) In PDB | Homo sapiens (human) | PI3-kinase subunit gamma, PI3K-gamma, PtdIns-3-kinase subunit gamma, Phosphatidylinositol-4,5-bisphosphate 3-kinase 110 kDa catalytic subunit gamma, PtdIns-3-kinase subunit p110-gamma, p120-PI3K |
2 | A | N~2~-{2-chloro-4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-N~2~,N~8~-dimethyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2,8-dicarboxamide | non-polymer | 553.1 | 1 | Chemie (3T8) | |||
3 | water | water | 18.0 | 15 | Chemie (HOH) |
Sequence modifications
A: 144 - 1102 (UniProt: P48736)
PDB | External Database | Details |
---|---|---|
Met 143 | - | expression tag |
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 | 110727.1 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 553.1 | |
All* | Total formula weight | 111280.2 |