MolNFT v1 · #107932 · protein

PI3KG in complex with AZD6482

4URK · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “PI3KG in complex with AZD6482”. X-ray diffraction, 1 ligand (A82), 12 pockets (best druggability 0.83). MolNFT v1 #107932 on GenesisL1: 3D structure, binding sites and…

PDB: 4URK
Type: protein
Length: 837 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
EC: 2.7.1.153, 2.7.11.1
UniProt: P48736
Ligands: A82
Pockets: 12 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (EC 2.7.1.153, 2.7.11.1)	protein	837	45% helix, 17% strand	P48736

Ligands and binding sites

A82 · 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid · ligand · chains A

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1151	0.83	0.84	77	empty
2	794	0.76	0.80	73	A82
3	364	0.64	0.79	28	empty
4	186	0.58	0.81	30	empty
5	317	0.55	0.76	45	empty

Compared structures

4URK · PI3Kg in complex with AZD6482 · 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 4URK · PDBe 4URK · UniProt P48736

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