MolNFT v1 · #61109 · protein

Structure of PI3K gamma in complex with GDC0941

3DBS · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “Structure of PI3K gamma in complex with GDC0941”. X-ray diffraction, 1 ligand (GD9), 12 pockets (best druggability 0.82). MolNFT v1 #61109 on GenesisL1: 3D structure…

PDB: 3DBS
Type: protein
Length: 841 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: GD9
Pockets: 12 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 44% 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	841	44% helix, 16% strand	P48736

Ligands and binding sites

GD9 · 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1085	0.82	0.83	71	empty
2	322	0.68	0.82	32	GD9
3	322	0.64	0.80	37	empty
4	135	0.48	0.79	25	empty
5	200	0.48	0.76	30	empty

Compared structures

3DBS · Structure of PI3K gamma in complex with GDC0941 · 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 3DBS · PDBe 3DBS · UniProt P48736

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