› 7agt

X-ray diffraction
2.9Å resolution

Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis acylated with Malonyl-coenzyme A

Released:
DOI: 10.2210/pdb7agt/pdb
PDB entry 7agt coloured by chain, front view.
PDB entry 7agt coloured by chain, side view.
PDB entry 7agt coloured by chain, top view.
Source organism: Mycobacterium tuberculosis variant bovis AF2122/97
Primary publication:
Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases.
Grabowska AD, Brison Y, Maveyraud L, Gavalda S, Faille A, Nahoum V, Bon C, Guilhot C, Pedelacq JD, Chalut C, Mourey L
ACS Chem Biol 15 3206-3216 (2020)
PMID: 33237724

Function and Biology Details

Reaction catalysed: 
A long-chain acyl-[mycocerosate synthase] + 4 methylmalonyl-CoA + 8 NADPH = a tetramethylated-mycocerosoyl-[mycocerosate synthase] + 4 CoA + 4 CO(2) + 8 NADP(+) + 4 H(2)O
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-169703 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mycocerosic acid synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 439 amino acids
Theoretical weight: 46.53 KDa
Source organism: Mycobacterium tuberculosis variant bovis AF2122/97
Expression system: Escherichia coli
UniProt:
  • Canonical: Q02251 (Residues: 447-871; Coverage: 20%)
Gene names: BQ2027_MB2965C, mas
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand MLA 2 x MLA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2221
Unit cell:
a: 148.476Å b: 156.119Å c: 115.552Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.192 0.209
Expression system: Escherichia coli

Quick links