Research workbench
The crystal structure of the murine class ia pi 3-kinase P110DELTA in complex with AS15.
Analyse The crystal structure of the murine class ia pi 3-kinase P110DELTA in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WXQ
- Type
- protein
- Length
- 822 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta isoform
- EC
- 2.7.1.153
- UniProt
- Q3UDT3
- Ligands
- ZZQ
- Pockets
- 14 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta isoform (EC 2.7.1.153) | protein | 822 | 47% helix, 19% strand | Q3UDT3 |
Ligands and binding sites
- ZZQ · 2-{[3-(2-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-quinoxalin-6-ylacetamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1196 | 0.80 | 0.81 | 85 | empty |
| 2 | 610 | 0.68 | 0.77 | 55 | empty |
| 3 | 261 | 0.68 | 0.84 | 36 | empty |
| 4 | 105 | 0.63 | 0.88 | 24 | empty |
| 5 | 70 | 0.59 | 0.90 | 25 | empty |
Compared structures
- 2WXQ · The crystal structure of the murine class IA PI 3-kinase p110delta in complex with AS15. · 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 Q3UDT3
- Elsewhere: RCSB PDB 2WXQ · PDBe 2WXQ · UniProt Q3UDT3
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