› 7q2b

X-ray diffraction
1.85Å resolution

mycolic acid methyltransferase Hma (MmaA4) from Mycobac-terium tuberculosis in complex with ZT218

Released:
DOI: 10.2210/pdb7q2b/pdb
PDB entry 7q2b coloured by chain, front view.
PDB entry 7q2b coloured by chain, side view.
PDB entry 7q2b coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from Mycobacterium tuberculosis: A Crystallographic and Molecular Modelling Study.
Galy R, Ballereau S, Génisson Y, Mourey L, Plaquevent JC, Maveyraud L
Pharmaceuticals (Basel) 14 (2021)
PMID: 34959681

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181263 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hydroxymycolate synthase MmaA4 Chain: A
Molecule details ›
Chain: A
Length: 318 amino acids
Theoretical weight: 36.52 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q79FX8 (Residues: 4-301; Coverage: 99%)
Gene names: Rv0642c, hma, mma4, mmaA4
Sequence domains: Mycolic acid cyclopropane synthetase

Ligands and Environments

3 bound ligands:
Ligand M6H 1 x M6H
Ligand DMS 3 x DMS
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P3121
Unit cell:
a: 57.289Å b: 57.289Å c: 205.992Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.169 0.167 0.206
Expression system: Escherichia coli BL21(DE3)

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Citations

2 mentions without citation

The pathogenic mechanism of Mycobacterium tuberculosis: implication for new drug development.
Yan et al. (2022)
1 more