› 1l1e

X-ray diffraction
2Å resolution

Crystal Structure of Mycolic Acid Cyclopropane Synthase PcaA Complexed with S-adenosyl-L-homocysteine

Released:
DOI: 10.2210/pdb1l1e/pdb
PDB entry 1l1e coloured by chain, front view.
PDB entry 1l1e coloured by chain, side view.
PDB entry 1l1e coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis.
Huang CC, Smith CV, Glickman MS, Jacobs WR, Sacchettini JC
J Biol Chem 277 11559-69 (2002)
PMID: 11756461

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + phospholipid olefinic fatty acid = S-adenosyl-L-homocysteine + phospholipid cyclopropane fatty acid
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161937 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclopropane mycolic acid synthase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 33.07 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WPB3 (Residues: 1-287; Coverage: 100%)
Gene names: CMAS-3, Rv0470c, cma3, cmaA3, pcaA
Sequence domains: Mycolic acid cyclopropane synthetase
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments


Cofactor: Ligand SAH 2 x SAH
1 bound ligand:
Ligand CO3 2 x CO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C, APS BEAMLINE 14-BM-D
Spacegroup: P65
Unit cell:
a: 45.34Å b: 45.34Å c: 446.02Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.235 0.222 0.27
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

22 review citations

Antituberculosis drugs: ten years of research.
Janin YL. (2007)
21 more

15 mentions without citation

Many paths to methyltransfer: a chronicle of convergence.
Schubert et al. (2003)
14 more