MolNFT v1 · #92223 · protein
X-ray structure of PI3K-gamma bound to a 4-(morpholin-4-yl)- (6-oxo-1, 6-dihydropyrimidin-2-YL)AMIDE inhibitor
4G11 · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “X-ray structure of PI3K-gamma bound to a 4-(morpholin-4-yl)- (6-oxo-1, 6-dihydropyrimidin-2-YL)AMIDE inhibitor”. X-ray diffraction, 1 ligand (0W7), 10 pockets (best…
- PDB
- 4G11
- Type
- protein
- Length
- 836 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
- 0W7
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% 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 | 836 | 44% helix, 17% strand | P48736 |
Ligands and binding sites
- 0W7 · 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1120 | 0.82 | 0.83 | 84 | empty |
| 2 | 556 | 0.73 | 0.81 | 61 | 0W7 |
| 3 | 366 | 0.65 | 0.80 | 42 | empty |
| 4 | 157 | 0.54 | 0.81 | 29 | empty |
| 5 | 71 | 0.46 | 0.82 | 19 | empty |
Compared structures
- 4G11 · X-ray structure of PI3K-gamma bound to a 4-(morpholin-4-yl)… · 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 4G11 · PDBe 4G11 · UniProt P48736
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