Research workbench

P110DELTA/P85ALPHA with taselisib (gdc-0032)

Analyse P110DELTA/P85ALPHA with taselisib (gdc-0032) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5T8F
Type: protein
Length: 1,090 residues
Chains: 2
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: O00329, P23727
Ligands: 799
Pockets: 15 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 16% 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	921	45% helix, 19% strand	O00329
B	Phosphatidylinositol 3-kinase regulatory subunit alpha	protein	169	89% helix, 0% strand	P23727

Ligands and binding sites

799 · 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-D][1, 4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide · ligand · chains A

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

Pockets

15 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	946	0.82	0.84	117	empty
2	986	0.81	0.82	75	empty
3	217	0.63	0.82	37	empty
4	173	0.61	0.83	26	799
5	66	0.56	0.88	23	empty

Interfaces

1 interface between chains.

A–B · 2272 Å² buried · 33 hydrogen bonds · protein-protein

Compared structures

5T8F · p110delta/p85alpha with taselisib (GDC-0032) · the same entry in another collection · chain A against A, TM-score 1.00
O00329 · 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 0.98
P23727 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 3-kinase regulatory subunit… · a predicted model of the same protein · chain B against A, TM-score 0.95

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 O00329
Every structure of UniProt P23727
Elsewhere: RCSB PDB 5T8F · PDBe 5T8F · UniProt O00329 · UniProt P23727

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.