› 1dqy

X-ray diffraction
1.83Å resolution

CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS WITH DIETHYL PHOSPHATE INHIBITOR

Released:
DOI: 10.2210/pdb1dqy/pdb
PDB entry 1dqy coloured by chain, front view.
PDB entry 1dqy coloured by chain, side view.
PDB entry 1dqy coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structure of the secreted form of antigen 85C reveals potential targets for mycobacterial drugs and vaccines.
Ronning DR, Klabunde T, Besra GS, Vissa VD, Belisle JT, Sacchettini JC
Nat Struct Biol 7 141-6 (2000)
PMID: 10655617

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 Chain: A
Molecule details ›
Chain: A
Length: 283 amino acids
Theoretical weight: 31.21 KDa
Source organism: Mycobacterium tuberculosis
UniProt:
  • Canonical: P9WQN9 (Residues: 46-328; Coverage: 96%)
Gene names: MTCI5.03c, Rv0129c, fbpC, mpt45
Sequence domains: Putative esterase
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand DEP 1 x DEP
Ligand MRD 2 x MRD
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: C2
Unit cell:
a: 128.8Å b: 67.808Å c: 39.765Å
α: 90° β: 102.73° γ: 90°
R-values:
R R work R free
0.186 0.168 0.189

Quick links

Citations

26 review citations

Pathway to synthesis and processing of mycolic acids in Mycobacterium tuberculosis.
Takayama et al. (2005)
25 more

13 mentions without citation

Towards the prediction of protein interaction partners using physical docking.
Wass et al. (2011)
12 more