› 5iso

X-ray diffraction
2.63Å resolution

STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991)

Released:
DOI: 10.2210/pdb5iso/pdb
PDB entry 5iso coloured by chain, front view.
PDB entry 5iso coloured by chain, side view.
PDB entry 5iso coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Xiao B, Hubbard JA, Gamblin SJ

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-157057 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
5'-AMP-activated protein kinase catalytic subunit alpha-2 Chains: A, C
Molecule details ›
Chains: A, C
Length: 552 amino acids
Theoretical weight: 62.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P54646 (Residues: 1-552; Coverage: 100%)
Gene names: AMPK, AMPK2, PRKAA2
Sequence domains:
5'-AMP-activated protein kinase subunit beta-1 Chains: B, D
Molecule details ›
Chains: B, D
Length: 286 amino acids
Theoretical weight: 32.45 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: 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 STU 2 x STU
Ligand 992 2 x 992
Ligand AMP 6 x AMP
1 modified residue:
Ligand SEP 2 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 75.42Å b: 129.39Å c: 139.28Å
α: 90° β: 92.73° γ: 90°
R-values:
R R work R free
0.18 0.178 0.23
Expression system: Escherichia coli

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