Research workbench

PI3 kinase delta in complex with 3[6(MORPHOLIN4YL)PYRIDIN2YL]PHENOL

Analyse PI3 kinase delta in complex with 3[6(MORPHOLIN4YL)PYRIDIN2YL]PHENOL in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6HI1
Type: protein
Length: 863 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
EC: 2.7.1.153
UniProt: O35904
Ligands: G5T
Pockets: 16 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (EC 2.7.1.153)	protein	863	48% helix, 17% strand	O35904

Ligands and binding sites

G5T · 3-(6-morpholin-4-ylpyridin-2-yl)phenol · 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	1150	0.82	0.83	84	empty
2	1036	0.74	0.77	96	empty
3	286	0.68	0.83	37	empty
4	245	0.59	0.79	33	G5T
5	109	0.54	0.83	25	empty

Compared structures

6HI1 · PI3 Kinase Delta in complex with 3[6(morpholin4yl)pyridin2yl]phenol · the same entry in another collection · chain A against A, TM-score 1.00
O35904 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4,5-bisphosphate 3-kinase… · a predicted model of the same protein · chain A against A, TM-score 0.98

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 O35904
Elsewhere: RCSB PDB 6HI1 · PDBe 6HI1 · UniProt O35904

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