5J5X - chain A (model C) | Protein kinase cAMP-activated catalytic subunit alpha
Structure information
PDB:5J5X
PubMed:27389935
Release date:2016-07-20
Resolution:2.6 Å
 
Kinase:PRKACA (PKACa)
Family:PKA
Group:AGC
Species:HUMAN
 
Quality Score:8
Missing Residues:0
Missing Atoms:0
DFG conformation:in
αC-helix conformation:in
Salt bridge KIII.17 and EαC.24:Yes (2.7Å)
 
 
ASP rotation (xDFG.81) :342°
PHE rotation (xDFG.82) :
Activation loop position:-4.3Å
αC-helix position:17.5Å
 
G-rich loop angle:56.8°
G-rich loop distance:17.5Å
G-rich loop rotation:49.2°
Other models from this PDB:
2D & 3D views

The orthosteric binding pocket
Binding pocket waters
The following waters were found in the defined clusters:
I10
No H-bonds
Binding pocket sequence
UniprotKTLGTGSFGRVMLYAMKILHTLNEKRILQAVNPFLVKLEFSYMVMEYVPGGEMFSHLRRYLHSLDLIYRDLKPENLLIVTDFGFA
Structure:KTLGTGSFGRVMLYAMKILHTLNEKRILQAVNPFLVKLEFSYMVMEYVPGGEMFSHLRRYLHSLDLIYRDLKPENLLIVTDFGFA


Modified residues
Residue 197 (not in pocket)
Phosphorylated threonine
Residue 338 (not in pocket)
Phosphorylated serine
Allosteric ligand
2D structure of the allosteric ligand
Ligand HET-code: 6J9
Ligand Name: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

Binding affinities
Ligand not found in ChEMBL.