MolNFT v1 · #76411 · protein

Crystal structure of PI3K-gamma in complex with benzothiazole 1

3QJZ · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “Crystal structure of PI3K-gamma in complex with benzothiazole 1”. X-ray diffraction, 2 ligands (QJZ, SO4), 11 pockets (best druggability 0.81). MolNFT v1 #76411 on…

PDB: 3QJZ
Type: protein
Length: 795 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
UniProt: P48736
Ligands: QJZ, SO4
Pockets: 11 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% 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)	protein	795	45% helix, 18% strand	P48736

Ligands and binding sites

QJZ · N-{6-[2-(methylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl}acetamide · ligand · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

11 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	1181	0.81	0.82	77	empty
2	580	0.70	0.79	65	QJZ
3	50	0.66	0.96	25	empty
4	357	0.65	0.79	38	empty
5	156	0.52	0.79	25	empty

Compared structures

3QJZ · Crystal structure of PI3K-gamma in complex with benzothiazole 1 · 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 3QJZ · PDBe 3QJZ · UniProt P48736

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