› 5ezv

X-ray diffraction
2.99Å resolution

X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)

Released:
DOI: 10.2210/pdb5ezv/pdb
PDB entry 5ezv coloured by chain, front view.
PDB entry 5ezv coloured by chain, side view.
PDB entry 5ezv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Langendorf CG, Ngoei KRW, Scott JW, Ling NXY, Issa SMA, Gorman MA, Parker MW, Sakamoto K, Oakhill JS, Kemp BE
Nat Commun 7 10912 (2016)
PMID: 26952388

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)
PDBe Complex ID:
PDB-CPX-157056 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
5'-AMP-activated protein kinase catalytic subunit alpha-1; 5'-AMP-activated protein kinase catalytic subunit alpha-2 Chains: A, C
Molecule details ›
Chains: A, C
Length: 560 amino acids
Theoretical weight: 63.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P54646 (Residues: 2-347, 398-552; Coverage: 91%)
  • Canonical: Q13131 (Residues: 359-402; Coverage: 8%)
Gene names: AMPK, AMPK1, AMPK2, PRKAA1, PRKAA2
Sequence domains:
5'-AMP-activated protein kinase subunit beta-1 Chains: B, D
Molecule details ›
Chains: B, D
Length: 270 amino acids
Theoretical weight: 30.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y478 (Residues: 1-270; Coverage: 100%)
Gene names: AMPK, PRKAB1
Sequence domains:
5'-AMP-activated protein kinase subunit gamma-1 Chains: E, F
Molecule details ›
Chains: E, F
Length: 336 amino acids
Theoretical weight: 38.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P54619 (Residues: 2-331; Coverage: 100%)
Gene name: PRKAG1
Sequence domains: CBS domain

Ligands and Environments

3 bound ligands:
Ligand STU 2 x STU
Ligand C1V 2 x C1V
Ligand C2Z 4 x C2Z
2 modified residues:
Ligand TPO 2 x TPO
Ligand SEP 2 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 75.608Å b: 134.112Å c: 141.287Å
α: 90° β: 93.16° γ: 90°
R-values:
R R work R free
0.225 0.224 0.245
Expression system: Escherichia coli

Quick links

Citations

14 review citations

AMPK in skeletal muscle function and metabolism.
Kjøbsted et al. (2018)
13 more

6 mentions without citation

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