› 6c9g

X-ray diffraction
2.7Å resolution

AMP-activated protein kinase bound to pharmacological activator R739

Released:
DOI: 10.2210/pdb6c9g/pdb
PDB entry 6c9g coloured by chain, front view.
PDB entry 6c9g coloured by chain, side view.
PDB entry 6c9g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
Yan Y, Zhou XE, Novick SJ, Shaw SJ, Li Y, Brunzelle JS, Hitoshi Y, Griffin PR, Xu HE, Melcher K
J Biol Chem 294 953-967 (2019)
PMID: 30478170

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [tau protein] = ADP + [tau protein] phosphate
ATP + [hydroxymethylglutaryl-CoA reductase (NADPH)] = ADP + [hydroxymethylglutaryl-CoA reductase (NADPH)] phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157058 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
5'-AMP-activated protein kinase catalytic subunit alpha-1 Chain: A
Molecule details ›
Chain: A
Length: 494 amino acids
Theoretical weight: 57.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13131 (Residues: 22-559; Coverage: 87%)
Gene names: AMPK1, PRKAA1
Sequence domains:
5'-AMP-activated protein kinase subunit beta-1 Chain: B
Molecule details ›
Chain: B
Length: 204 amino acids
Theoretical weight: 23.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y478 (Residues: 67-270; Coverage: 76%)
Gene names: AMPK, PRKAB1
Sequence domains:
5'-AMP-activated protein kinase subunit gamma-1 Chain: C
Molecule details ›
Chain: C
Length: 331 amino acids
Theoretical weight: 37.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P54619 (Residues: 1-331; Coverage: 100%)
Gene name: PRKAG1
Sequence domains: CBS domain

Ligands and Environments

3 bound ligands:
Ligand R93 1 x R93
Ligand STU 1 x STU
Ligand AMP 3 x AMP
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P6122
Unit cell:
a: 122.986Å b: 122.986Å c: 406.048Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.205 0.202 0.24
Expression system: Escherichia coli

Quick links

Citations

3 review citations

AMPK: restoring metabolic homeostasis over space and time.
Trefts et al. (2021)
2 more

4 mentions without citation

AMPK and Diseases: State of the Art Regulation by AMPK-Targeting Molecules.
Tarasiuk et al. (2022)
3 more