› 3tvw

X-ray diffraction
2.8Å resolution

Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 4

Released:
DOI: 10.2210/pdb3tvw/pdb
PDB entry 3tvw coloured by chain, front view.
PDB entry 3tvw coloured by chain, side view.
PDB entry 3tvw coloured by chain, top view.
Source organism: Saccharomyces cerevisiae S288C
Primary publication:
Structure-guided inhibitor design for human acetyl-coenzyme A carboxylase by interspecies active site conversion.
Rajamohan F, Marr E, Reyes AR, Landro JA, Anderson MD, Corbett JW, Dirico KJ, Harwood JH, Tu M, Vajdos FF
J Biol Chem 286 41510-41519 (2011)
PMID: 21953464

Function and Biology Details

Reactions catalysed: 
ATP + [biotin carboxyl-carrier protein]-biotin-N(6)-L-lysine + hydrogencarbonate- = ADP + phosphate + [biotin carboxyl-carrier protein]-carboxybiotin-N(6)-L-lysine
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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169488 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetyl-CoA carboxylase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 769 amino acids
Theoretical weight: 87.22 KDa
Source organism: Saccharomyces cerevisiae S288C
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00955 (Residues: 1476-2233; Coverage: 34%)
Gene names: ABP2, ACC1, FAS3, MTR7, N3175, YNR016C
Sequence domains: Carboxyl transferase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 07H 3 x 07H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: C2
Unit cell:
a: 246.964Å b: 122.858Å c: 146.073Å
α: 90° β: 94.16° γ: 90°
R-values:
R R work R free
0.179 0.176 0.205
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Structure and function of biotin-dependent carboxylases.
Tong L. (2013)
1 more

1 mention without citation

Structure-guided inhibitor design for human acetyl-coenzyme A carboxylase by interspecies active site conversion.
Rajamohan et al. (2011)