Research workbench
Complexes of PI3KGAMMA with isoform selective inhibitors.
Analyse Complexes of PI3KGAMMA with isoform selective inhibitors. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ANX
- Type
- protein
- Length
- 833 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
- 2.7.1.137, 2.7.1.153, 2.7.11.1
- UniProt
- P48736
- Ligands
- 534
- Pockets
- 12 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (EC 2.7.1.137, 2.7.1.153, 2.7.11.1) | protein | 833 | 43% helix, 16% strand | P48736 |
Ligands and binding sites
- 534 · 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine · 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1179 | 0.82 | 0.83 | 74 | empty |
| 2 | 66 | 0.70 | 0.96 | 21 | empty |
| 3 | 452 | 0.68 | 0.80 | 45 | 534 |
| 4 | 385 | 0.68 | 0.80 | 36 | empty |
| 5 | 217 | 0.58 | 0.80 | 26 | empty |
Compared structures
- 4ANX · Complexes of PI3Kgamma with isoform selective inhibitors. · 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 4ANX · PDBe 4ANX · UniProt P48736
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