› 3tzy

X-ray diffraction
2.2Å resolution

Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the palmitoylated form at 2.2 A

Released:
DOI: 10.2210/pdb3tzy/pdb
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Source organisms:
Primary publication:
Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase Pks13.
Bergeret F, Gavalda S, Chalut C, Malaga W, Quémard A, Pedelacq JD, Daffé M, Guilhot C, Mourey L, Bon C
J Biol Chem 287 33675-90 (2012)
PMID: 22825853

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129451 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Polyketide synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 491 amino acids
Theoretical weight: 53.09 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: O53579 (Residues: 576-1062; Coverage: 28%)
Gene name: MT3907
Sequence domains: Acyl transferase domain
Structure domains:
12-mer peptide Chains: C, D
Molecule details ›
Chains: C, D
Length: 12 amino acids
Theoretical weight: 1.36 KDa
Source organism: Escherichia coli

Ligands and Environments

3 bound ligands:
Ligand PLM 2 x PLM
Ligand GOL 7 x GOL
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P41212
Unit cell:
a: 105.89Å b: 105.89Å c: 259.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.223 0.265
Expression system: Escherichia coli

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Citations

5 review citations

Progress in targeting cell envelope biogenesis in Mycobacterium tuberculosis.
Jackson et al. (2013)
4 more

3 mentions without citation

Benchmarking of different molecular docking methods for protein-peptide docking.
Agrawal et al. (2019)
2 more

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