› 2uwx

X-ray diffraction
2.39Å resolution

Active site restructuring regulates ligand recognition in class A penicillin-binding proteins

Released:
DOI: 10.2210/pdb2uwx/pdb
PDB entry 2uwx coloured by chain, front view.
PDB entry 2uwx coloured by chain, side view.
PDB entry 2uwx coloured by chain, top view.
Source organism: Streptococcus pneumoniae R6
Primary publication:
Active site restructuring regulates ligand recognition in class A penicillin-binding proteins.
Macheboeuf P, Di Guilmi AM, Job V, Vernet T, Dideberg O, Dessen A
Proc Natl Acad Sci U S A 102 577-82 (2005)
PMID: 15637155

Function and Biology Details

Reaction catalysed: 
(GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala))(n)-diphosphoundecaprenol + GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol = (GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala))(n+1)-diphosphoundecaprenol + undecaprenyl diphosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181430 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
peptidoglycan glycosyltransferase Chain: A
Molecule details ›
Chain: A
Length: 494 amino acids
Theoretical weight: 54.66 KDa
Source organism: Streptococcus pneumoniae R6
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7CRA4 (Residues: 321-791; Coverage: 57%)
Gene names: pbp1b, spr1909
Sequence domains: Penicillin binding protein transpeptidase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 1 x SO4
Ligand CL 2 x CL
Ligand EDO 1 x EDO
1 modified residue:
Ligand NC1 1 x NC1

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: C2221
Unit cell:
a: 97.52Å b: 148.65Å c: 98.02Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.162 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

13 review citations

The penicillin-binding proteins: structure and role in peptidoglycan biosynthesis.
Sauvage et al. (2008)
12 more

1 mention without citation

A computational evaluation of the mechanism of penicillin-binding protein-catalyzed cross-linking of the bacterial cell wall.
Shi et al. (2011)