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
Binding pocket waters
The following waters were found in the defined clusters:
I3
No H-bonds
I7
No H-bonds
Binding pocket sequence
Uniprot | KLLGKGTFGKVILYAMKILHTLTENRVLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC |
Structure: | KLLGKGTFGKVILYAMKIL_______VLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC |
Modified residues
No modified residues identified.
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.