Crystal structure of autoinhibited form of AKT1 in complex with N-(4- (5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-IMIDAZO[4,5- B]PYRIDIN-3-YL)BENZYL)-3-fluorobenzamide

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).

Ligands and binding sites

• 0R4 · N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide · ligand · chains A
• SBT · 2-butanol · ligand · chains A
• EDO · 1,2-ethanediol · additive · 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.

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 4EJN · Crystal structure of autoinhibited form of AKT1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P31749 · AlphaFold monomer V2.0 prediction for rac-alpha SERINE/THREONINE- protein kinase (P31749) · a predicted model of the same protein · chain A against A, TM-score 0.73

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 P31749
• Elsewhere: RCSB PDB 4EJN · PDBe 4EJN · UniProt P31749