MolNFT v1 · #5143 · protein

Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine

1E8Z · Phosphatidylinositol 3-kinase catalytic subunit: “Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin…”. X-ray diffraction, 1 ligand (STU), 13 pockets (best druggability…

PDB: 1E8Z
Type: protein
Length: 839 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: P48736
Ligands: STU
Pockets: 13 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphatidylinositol 3-kinase catalytic subunit (EC 2.7.1.137)	protein	839	44% helix, 17% strand	P48736

Ligands and binding sites

STU · Staurosporine · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1031	0.83	0.84	81	empty
2	745	0.73	0.78	67	STU
3	383	0.68	0.80	37	empty
4	52	0.67	0.96	20	empty
5	116	0.60	0.86	26	empty

Compared structures

1E8Z · Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002… · 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 1E8Z · PDBe 1E8Z · UniProt P48736

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