MolNFT v1 · #71629 · protein

PI3 kinase gamma with a benzofuranone inhibitor

3MJW · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “PI3 kinase gamma with a benzofuranone inhibitor”. X-ray diffraction, 1 ligand (WYF), 13 pockets (best druggability 0.83). MolNFT v1 #71629 on GenesisL1: 3D structure…

PDB: 3MJW
Type: protein
Length: 819 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: WYF
Pockets: 13 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% 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	819	45% helix, 16% strand	P48736

Ligands and binding sites

WYF · (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one · 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, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1041	0.83	0.84	85	empty
2	574	0.68	0.78	78	empty
3	57	0.68	0.96	20	empty
4	228	0.67	0.84	45	empty
5	331	0.67	0.81	29	WYF

Compared structures

3MJW · PI3 Kinase gamma with a benzofura inhibitor · 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 3MJW · PDBe 3MJW · UniProt P48736

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