› 3d3h

X-ray diffraction
2.31Å resolution

Crystal structure of a complex of the peptidoglycan glycosyltransferase domain from Aquifex aeolicus and neryl moenomycin A

Released:
DOI: 10.2210/pdb3d3h/pdb
PDB entry 3d3h coloured by chain, front view.
PDB entry 3d3h coloured by chain, side view.
PDB entry 3d3h coloured by chain, top view.
Source organism: Aquifex aeolicus
Primary publication:
Structural analysis of the contacts anchoring moenomycin to peptidoglycan glycosyltransferases and implications for antibiotic design.
Yuan Y, Fuse S, Ostash B, Sliz P, Kahne D, Walker S
ACS Chem Biol 3 429-36 (2008)
PMID: 18642800

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: (Ac)(2)-L-Lys-D-Ala-|-D-Ala. Also transpeptidation of peptidyl-alanyl moieties that are N-acyl substituents of D-alanine.
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130392 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Penicillin-binding protein 1A Chain: A
Molecule details ›
Chain: A
Length: 200 amino acids
Theoretical weight: 22.91 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli
UniProt:
  • Canonical: O66874 (Residues: 51-243; Coverage: 27%)
Gene names: aq_624, mrcA, ponA
Sequence domains: Transglycosylase
Structure domains: Biosynthetic peptidoglycan transglycosylase-like

Ligands and Environments

1 bound ligand:
Ligand M4O 1 x M4O
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: I222
Unit cell:
a: 54.939Å b: 100.448Å c: 104.022Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.225 0.26
Expression system: Escherichia coli

Quick links

Citations

14 review citations

Structural perspective of peptidoglycan biosynthesis and assembly.
Lovering et al. (2012)
13 more

4 mentions without citation

Structural analysis of the contacts anchoring moenomycin to peptidoglycan glycosyltransferases and implications for antibiotic design.
Yuan et al. (2008)
3 more