Research workbench
Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24F
Analyse Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24F in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FJY
- Type
- protein
- Length
- 839 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
- EC
- 2.7.1.153, 2.7.11.1
- UniProt
- P48736
- Ligands
- FJY, SO4
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (EC 2.7.1.153, 2.7.11.1) | protein | 839 | 44% helix, 18% strand | P48736 |
Ligands and binding sites
- FJY · 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1142 | 0.81 | 0.82 | 79 | SO4 |
| 2 | 366 | 0.68 | 0.81 | 37 | FJY |
| 3 | 292 | 0.67 | 0.82 | 37 | empty |
| 4 | 118 | 0.57 | 0.84 | 25 | empty |
| 5 | 172 | 0.55 | 0.80 | 30 | empty |
Compared structures
- 4FJY · Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P48736
- Elsewhere: RCSB PDB 4FJY · PDBe 4FJY · UniProt P48736
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