5VLR
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
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 delta isoform | polymer | 1013 | 115958.9 | 1 | UniProt (O00329) Pfam (PF02192) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) | Homo sapiens (Human) | PtdIns-3-kinase subunit delta,Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta,p110delta |
| 2 | B (B) | Phosphatidylinositol 3-kinase regulatory subunit alpha | polymer | 170 | 20993.7 | 1 | UniProt (P27986) Pfam (PF16454) | Homo sapiens (Human) | PtdIns-3-kinase regulatory subunit alpha,Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha,PtdIns-3-kinase regulatory subunit p85-alpha |
| 3 | C (A) | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one | non-polymer | 526.5 | 1 | Chemie (9EM) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 24 | Chemie (HOH) |
Sequence modifications
B: 431 - 600 (UniProt: P27986)
| PDB | External Database | Details |
|---|---|---|
| Asp 469 | Glu 469 | engineered mutation |
| Thr 519 | Lys 519 | engineered mutation |
| Glu 529 | Asp 529 | engineered mutation |
| Val 539 | Ile 539 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 136952.5 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 526.5 | |
| All* | Total formula weight | 137479.0 |
