› 6b2e

X-ray diffraction
3.8Å resolution

Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4.

Released:
DOI: 10.2210/pdb6b2e/pdb
PDB entry 6b2e coloured by chain, front view.
PDB entry 6b2e coloured by chain, side view.
PDB entry 6b2e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK α2β2γ1 by the Glucose Importagog SC4.
Ngoei KRW, Langendorf CG, Ling NXY, Hoque A, Varghese S, Camerino MA, Walker SR, Bozikis YE, Dite TA, Ovens AJ, Smiles WJ, Jacobs R, Huang H, Parker MW, Scott JW, Rider MH, Foitzik RC, Kemp BE, Baell JB, Oakhill JS
Cell Chem Biol 25 728-737.e9 (2018)
PMID: 29657085

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
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-129096 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (4 distinct):
5'-AMP-activated protein kinase catalytic subunit alpha-2 Chain: A
Molecule details ›
Chain: A
Length: 565 amino acids
Theoretical weight: 63.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54646 (Residues: 2-552; Coverage: 100%)
Gene names: AMPK, AMPK2, PRKAA2
Sequence domains:
5'-AMP-activated protein kinase subunit beta-2 Chain: B
Molecule details ›
Chain: B
Length: 272 amino acids
Theoretical weight: 30.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O43741 (Residues: 1-272; Coverage: 100%)
Gene name: PRKAB2
Sequence domains:
5'-AMP-activated protein kinase subunit gamma-1 Chain: C
Molecule details ›
Chain: C
Length: 336 amino acids
Theoretical weight: 38.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54619 (Residues: 2-331; Coverage: 100%)
Gene name: PRKAG1
Sequence domains: CBS domain

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC
Carbohydrate polymer
3 bound ligands:
Ligand STU 1 x STU
Ligand CG7 1 x CG7
Ligand AMP 2 x AMP
2 modified residues:
Ligand TPO 1 x TPO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 113.936Å b: 118.848Å c: 138.096Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.246 0.244 0.277
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

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

5 mentions without citation

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