› 5vns

X-ray diffraction
1.45Å resolution

M.tb Antigen 85C Acyl-Enzyme Intermediate with Tetrahydrolipstatin

Released:
DOI: 10.2210/pdb5vns/pdb
PDB entry 5vns coloured by chain, front view.
PDB entry 5vns coloured by chain, side view.
PDB entry 5vns coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Mycolyltransferase from Mycobacterium tuberculosis in covalent complex with tetrahydrolipstatin provides insights into antigen 85 catalysis.
Goins CM, Dajnowicz S, Smith MD, Parks JM, Ronning DR
J Biol Chem 293 3651-3662 (2018)
PMID: 29352107

Function and Biology Details

Reactions catalysed: 
2 alpha,alpha'-trehalose 6-mycolate = alpha,alpha'-trehalose + alpha,alpha'-trehalose 6,6'-bismycolate
Acyl-CoA + 1,2-diacylglycerol = CoA + triacylglycerol
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162087 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Diacylglycerol acyltransferase/mycolyltransferase Ag85C Chain: A
Molecule details ›
Chain: A
Length: 303 amino acids
Theoretical weight: 33.24 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WQN9 (Residues: 47-340; Coverage: 100%)
Gene names: MTCI5.03c, Rv0129c, fbpC, mpt45
Sequence domains: Putative esterase
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand DH9 1 x DH9
Ligand MPD 2 x MPD
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21212
Unit cell:
a: 68.379Å b: 122.784Å c: 40.256Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.161 0.174
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Recent Progress in the Development of Novel Mycobacterium Cell Wall Inhibitor to Combat Drug-Resistant Tuberculosis.
Belete TM. (2022)
1 more

4 mentions without citation

Mycolyltransferase from Mycobacterium tuberculosis in covalent complex with tetrahydrolipstatin provides insights into antigen 85 catalysis.
Goins et al. (2018)
3 more