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MPI3KD in complex with AZ2

Analyse MPI3KD in complex with AZ2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6FTN
Type: protein
Length: 827 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphor inositol 3 kinase
UniProt: O35904
Ligands: E78
Pockets: 11 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphor inositol 3 kinase	protein	827	48% helix, 19% strand	O35904

Ligands and binding sites

E78 · ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide · ligand · chains A

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1165	0.81	0.82	87	empty
2	663	0.72	0.79	72	empty
3	310	0.70	0.83	43	empty
4	110	0.62	0.87	23	empty
5	284	0.61	0.79	33	E78

Compared structures

6FTN · mPI3Kd IN COMPLEX WITH AZ2 · 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 6FTN · PDBe 6FTN · UniProt O35904

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