› 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 7q2b coloured by chain and viewed from the front.
PDB 7q2b coloured by chain and viewed from the side.
PDB 7q2b coloured by chain and viewed from the top.
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:

Structure analysis Details

Assembly composition:
monomeric (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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