› 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 7agt coloured by chain and viewed from the front.
PDB 7agt coloured by chain and viewed from the side.
PDB 7agt coloured by chain and viewed from the top.
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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (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

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