› 1va5

X-ray diffraction
2.02Å resolution

Antigen 85C with octylthioglucoside in active site

Released:
DOI: 10.2210/pdb1va5/pdb
PDB entry 1va5 coloured by chain, front view.
PDB entry 1va5 coloured by chain, side view.
PDB entry 1va5 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Mycobacterium tuberculosis antigen 85A and 85C structures confirm binding orientation and conserved substrate specificity.
Ronning DR, Vissa V, Besra GS, Belisle JT, Sacchettini JC
J Biol Chem 279 36771-7 (2004)
PMID: 15192106

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 domain:

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 303 amino acids
Theoretical weight: 33.17 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
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

1 bound ligand:
Ligand SOG 4 x SOG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 144.818Å b: 68.117Å c: 82.281Å
α: 90° β: 119.6° γ: 90°
R-values:
R R work R free
0.187 0.187 0.211
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Antituberculosis drugs: ten years of research.
Janin YL. (2007)
8 more

8 mentions without citation

Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Favrot et al. (2013)
7 more