MolNFT v1 · #74622 · protein
Crystal structure of PI3K gamma with 3-(2-morpholino-6-(pyridin-3- YLAMINO)PYRIMIDIN-4-YL)PHENOL
3P2B · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “Crystal structure of PI3K gamma with 3-(2-morpholino-6-(pyridin-3- YLAMINO)PYRIMIDIN-4-YL)PHENOL”. X-ray diffraction, 1 ligand (P2B), 12 pockets (best druggability 0.80).…
- PDB
- 3P2B
- Type
- protein
- Length
- 808 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
- UniProt
- P48736
- Ligands
- P2B
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% 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) | protein | 808 | 47% helix, 16% strand | P48736 |
Ligands and binding sites
- P2B · 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol · ligand · 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 | 1047 | 0.80 | 0.81 | 71 | empty |
| 2 | 259 | 0.65 | 0.82 | 32 | P2B |
| 3 | 319 | 0.60 | 0.78 | 43 | empty |
| 4 | 193 | 0.57 | 0.81 | 31 | empty |
| 5 | 80 | 0.52 | 0.84 | 17 | empty |
Compared structures
- 3P2B · Crystal Structure of PI3K gamma with 3-(2-morpholino-6-(pyridin-3-ylamino)pyrimidin-4-yl)p… · 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 3P2B · PDBe 3P2B · UniProt P48736
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