MolNFT v1 · #5104 · protein
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
1E7V · Phosphatidylinositol 3-kinase catalytic subunit: “Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin…”. X-ray diffraction, 1 ligand (LY2), 11 pockets (best druggability…
- PDB
- 1E7V
- Type
- protein
- Length
- 850 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 3-kinase catalytic subunit
- EC
- 2.7.1.137
- UniProt
- O02697
- Ligands
- LY2
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 3-kinase catalytic subunit (EC 2.7.1.137) | protein | 850 | 43% helix, 17% strand | O02697 |
Ligands and binding sites
- LY2 · 2-morpholin-4-yl-7-phenyl-4H-chromen-4-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1043 | 0.83 | 0.84 | 73 | empty |
| 2 | 519 | 0.70 | 0.79 | 44 | LY2 |
| 3 | 425 | 0.70 | 0.81 | 44 | empty |
| 4 | 92 | 0.65 | 0.90 | 21 | empty |
| 5 | 155 | 0.58 | 0.83 | 27 | empty |
Compared structures
- 1E7V · Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002… · the same entry in another collection · chain A against A, TM-score 1.00
- O02697 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4,5-bisphosphate 3-kinase… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O02697
- Elsewhere: RCSB PDB 1E7V · PDBe 1E7V · UniProt O02697
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