› 3hem

X-ray diffraction
2.39Å resolution

Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine

Released:
DOI: 10.2210/pdb3hem/pdb
PDB entry 3hem coloured by chain, front view.
PDB entry 3hem coloured by chain, side view.
PDB entry 3hem coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: Liu Z, Sacchettini JC

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 analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161939 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclopropane mycolic acid synthase 2 Chain: A
Molecule details ›
Chain: A
Length: 302 amino acids
Theoretical weight: 34.64 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPB5 (Residues: 1-302; Coverage: 100%)
Gene names: CMAS-2, MTCY20G9.30c, Rv0503c, cma2, cmaA2
Sequence domains: Mycolic acid cyclopropane synthetase
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments

2 bound ligands:
Ligand D22 1 x D22
Ligand CO3 1 x CO3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I4122
Unit cell:
a: 106.857Å b: 106.857Å c: 224.979Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.243 0.243 0.266
Expression system: Escherichia coli

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