MolNFT v1 · #60478 · protein

Crystal structure of PI3K P110GAMMA catalytical domain in complex with organoruthenium inhibitor E5E2

3CST · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “Crystal structure of PI3K P110GAMMA catalytical domain in complex with organoruthenium inhibitor E5E2”. X-ray diffraction, 1 ligand (E52), 14 pockets (best druggability…

PDB: 3CST
Type: protein
Length: 836 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: E52
Pockets: 14 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 44% 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)	protein	836	44% helix, 17% strand	P48736

Ligands and binding sites

E52 · Methylated Ruthenium Pyridocarbazole · ligand · chains A

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

Pockets

14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1071	0.82	0.83	76	empty
2	661	0.73	0.79	63	E52
3	338	0.64	0.80	31	empty
4	327	0.63	0.79	51	empty
5	144	0.48	0.78	29	empty

Compared structures

3CST · Crystal structure of PI3K p110gamma catalytical domain in complex with organoruthenium… · 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 3CST · PDBe 3CST · UniProt P48736

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