› 3nb6

X-ray diffraction
2.7Å resolution

Crystal structure of Aquifex aeolicus peptidoglycan glycosyltransferase in complex with Methylphosphoryl Neryl Moenomycin

Released:
DOI: 10.2210/pdb3nb6/pdb
PDB entry 3nb6 coloured by chain, front view.
PDB entry 3nb6 coloured by chain, side view.
PDB entry 3nb6 coloured by chain, top view.
Source organism: Aquifex aeolicus
Primary publication:
Functional and structural analysis of a key region of the cell wall inhibitor moenomycin.
Fuse S, Tsukamoto H, Yuan Y, Wang TS, Zhang Y, Bolla M, Walker S, Sliz P, Kahne D
ACS Chem Biol 5 701-11 (2010)
PMID: 20496948

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 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: 22.88 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli BL21(DE3)
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

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: I222
Unit cell:
a: 54.516Å b: 100.398Å c: 103.054Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.215 0.261
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Prospects for new antibiotics: a molecule-centered perspective.
Walsh et al. (2014)
5 more