MolNFT v1 · #179137 · protein

Gedatolisib bound to the PI3KG catalytic subunit P110 gamma

7JWE · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “Gedatolisib bound to the PI3KG catalytic subunit P110 gamma”. X-ray diffraction, 1 ligand (VL1), 16 pockets (best druggability 0.82). MolNFT v1 #179137 on GenesisL1: 3D…

PDB: 7JWE
Type: protein
Length: 815 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: VL1
Pockets: 16 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 47% 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, 2.7.11.1)	protein	815	47% helix, 18% strand	P48736

Ligands and binding sites

VL1 · Gedatolisib · ligand · chains A

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

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1151	0.82	0.83	74	empty
2	51	0.70	0.98	19	empty
3	452	0.70	0.80	46	empty
4	368	0.65	0.79	41	VL1
5	170	0.60	0.83	25	empty

Compared structures

7JWE · Gedatolisib bound to the PI3Kg catalytic subunit p110 gamma · 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 7JWE · PDBe 7JWE · UniProt P48736

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