› 5ocj

X-ray diffraction
1.8Å resolution

Crystal structure of Ag85C bound to cyclophostin 8beta inhibitor

Released:
DOI: 10.2210/pdb5ocj/pdb
PDB entry 5ocj coloured by chain, front view.
PDB entry 5ocj coloured by chain, side view.
PDB entry 5ocj coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Cyclipostins and cyclophostin analogs inhibit the antigen 85C from Mycobacterium tuberculosis both in vitro and in vivo.
Viljoen A, Richard M, Nguyen PC, Fourquet P, Camoin L, Paudal RR, Gnawali GR, Spilling CD, Cavalier JF, Canaan S, Blaise M, Kremer L
J Biol Chem 293 2755-2769 (2018)
PMID: 29301937

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 303 amino acids
Theoretical weight: 33.24 KDa
Source organism: Mycobacterium tuberculosis H37Rv
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

2 bound ligands:
Ligand 9SW 2 x 9SW
Ligand DMS 2 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 67.39Å b: 75.77Å c: 137.32Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.151 0.175
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Antibiotics and resistance: the two-sided coin of the mycobacterial cell wall.
Batt et al. (2020)
5 more

1 mention without citation

Cyclipostins and cyclophostin analogs inhibit the antigen 85C from Mycobacterium tuberculosis both in vitro and in vivo.
Viljoen et al. (2018)