MolNFT v1 · #151259 · protein

PI3 kinase delta in complex with 3[6(OXAN4YL)PYRIDIN2YL]PHENOL

6HI9 · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “PI3 kinase delta in complex with 3[6(OXAN4YL)PYRIDIN2YL]PHENOL”. X-ray diffraction, 1 ligand (G68), 12 pockets (best druggability 0.81). MolNFT v1 #151259 on GenesisL1: 3D…

PDB: 6HI9
Type: protein
Length: 858 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
UniProt: Q3UDT3
Ligands: G68
Pockets: 12 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	protein	858	48% helix, 18% strand	Q3UDT3

Ligands and binding sites

G68 · 3-[6-(oxan-4-yl)pyridin-2-yl]phenol · 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, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1159	0.81	0.83	86	empty
2	1074	0.74	0.77	111	empty
3	266	0.69	0.84	37	empty
4	227	0.59	0.79	28	G68
5	75	0.52	0.85	21	empty

Compared structures

6HI9 · PI3 Kinase Delta in complex with 3[6(oxan4yl)pyridin2yl]phenol · 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 Q3UDT3
Elsewhere: RCSB PDB 6HI9 · PDBe 6HI9 · UniProt Q3UDT3

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