MolNFT v1 · #5144 · protein
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
1E90 · Phosphatidylinositol 3-kinase catalytic subunit: “Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin…”. X-ray diffraction, 1 ligand (MYC), 14 pockets (best druggability…
- PDB
- 1E90
- Type
- protein
- Length
- 844 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
- MYC
- Pockets
- 14 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 3-kinase catalytic subunit (EC 2.7.1.137) | protein | 844 | 44% helix, 18% strand | O02697 |
Ligands and binding sites
- MYC · 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one · 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1184 | 0.81 | 0.82 | 82 | empty |
| 2 | 577 | 0.72 | 0.79 | 51 | MYC |
| 3 | 444 | 0.68 | 0.79 | 38 | empty |
| 4 | 54 | 0.67 | 0.96 | 22 | empty |
| 5 | 173 | 0.59 | 0.82 | 29 | empty |
Compared structures
- 1E90 · 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 1E90 · PDBe 1E90 · UniProt O02697
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