Research workbench

Crystal structure of GSK3BETA in complex with a imidazopyridine inhibitor

Analyse Crystal structure of GSK3BETA in complex with a imidazopyridine inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4DIT
Type: protein
Length: 329 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycogen synthase kinase-3 beta
EC: 2.7.11.26, 2.7.11.1
UniProt: P49841
Ligands: 0KD
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glycogen synthase kinase-3 beta (EC 2.7.11.26, 2.7.11.1)	protein	329	35% helix, 18% strand	P49841

Ligands and binding sites

0KD · N-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	529	0.69	0.79	60	0KD
2	78	0.41	0.79	19	empty
3	66	0.33	0.76	19	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

4DIT · Crystal Structure of GSK3beta in complex with a Imidazopyridine inhibitor · 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 P49841
Elsewhere: RCSB PDB 4DIT · PDBe 4DIT · UniProt P49841

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.