4EJN - chain A | V-akt murine thymoma viral oncogene homolog 1
Structure information
PDB:4EJN
PubMed:22533986
Release date:2012-05-23
Resolution:2.19 Å
 
Kinase:AKT1
Family:Akt
Group:AGC
Species:HUMAN
 
Quality Score:4.4
Missing Residues:7
Missing Atoms:22
DFG conformation:out
αC-helix conformation:na
Salt bridge KIII.17 and EαC.24:NA
 
 
ASP rotation (xDFG.81) :162°
PHE rotation (xDFG.82) :216°
Activation loop position:1.6Å
αC-helix position:0Å
 
G-rich loop angle:65.3°
G-rich loop distance:19Å
G-rich loop rotation:56.2°
2D & 3D views

The orthosteric binding pocket
Binding pocket waters
The following waters were found in the defined clusters:
I3
No H-bonds
I7
No H-bonds
Binding pocket sequence
UniprotKLLGKGTFGKVILYAMKILHTLTENRVLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC
Structure:KLLGKGTFGKVILYAMKIL_______VLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC


Modified residues
No modified residues identified.
Allosteric ligand
2D structure of the allosteric ligand
Ligand HET-code: 0R4
Ligand Name: N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide

Binding affinities
Ligand not found in ChEMBL.