› 3jrx

X-ray diffraction
2.5Å resolution

Crystal structure of the BC domain of ACC2 in complex with soraphen A

Released:
DOI: 10.2210/pdb3jrx/pdb
PDB entry 3jrx coloured by chain, front view.
PDB entry 3jrx coloured by chain, side view.
PDB entry 3jrx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK.
Cho YS, Lee JI, Shin D, Kim HT, Jung HY, Lee TG, Kang LW, Ahn YJ, Cho HS, Heo YS
Biochem Biophys Res Commun 391 187-92 (2010)
PMID: 19900410

Function and Biology Details

Reaction catalysed: 
ATP + acetyl-CoA + HCO(3)(-) = ADP + phosphate + malonyl-CoA
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126388 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetyl-CoA carboxylase 2 Chain: A
Molecule details ›
Chain: A
Length: 587 amino acids
Theoretical weight: 65.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O00763 (Residues: 217-775; Coverage: 23%)
Gene names: ACACB, ACC2, ACCB
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand S1A 1 x S1A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 4A
Spacegroup: P3221
Unit cell:
a: 74.744Å b: 74.744Å c: 179.414Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.228 0.221 0.266
Expression system: Escherichia coli BL21

Quick links

Citations

15 review citations

Treatment of nonalcoholic fatty liver disease: role of AMPK.
Smith et al. (2016)
14 more

1 mention without citation

GWOVina: A grey wolf optimization approach to rigid and flexible receptor docking.
Wong et al. (2021)