MolNFT v1 · #185136 · protein

Crystal structure of PI3KALPHA

7PG5 · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “Crystal structure of PI3KALPHA”. X-ray diffraction, 1 ligand (PO4), 19 pockets (best druggability 0.86). MolNFT v1 #185136 on GenesisL1: 3D structure, binding sites and…

PDB: 7PG5
Type: protein
Length: 1,294 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform…
EC: 2.7.1.137, 2.7.1.153, 2.7.11.1
UniProt: P42336, P27986
Ligands: PO4
Pockets: 19 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (EC 2.7.1.137, 2.7.1.153, 2.7.11.1)	protein	1028	42% helix, 19% strand	P42336
B	Phosphatidylinositol 3-kinase regulatory subunit alpha	protein	266	61% helix, 11% strand	P27986

Ligands and binding sites

PO4 · Phosphate ion · ion · 2 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	719	0.86	0.90	102	empty
2	1114	0.83	0.84	81	empty
3	654	0.80	0.85	65	empty
4	224	0.70	0.86	41	empty
5	95	0.65	0.90	20	empty

Interfaces

1 interface between chains.

A–B · 3433 Å² buried · 41 hydrogen bonds · protein-protein

Compared structures

7PG5 · Crystal Structure of PI3Kalpha · the same entry in another collection · chain A against A, TM-score 1.00
P42336 · 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 0.99

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 P42336
Every structure of UniProt P27986
Elsewhere: RCSB PDB 7PG5 · PDBe 7PG5 · UniProt P42336 · UniProt P27986

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