PDBe 2uwx

X-ray diffraction
2.39Å resolution

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

Released:

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Penicillin-binding protein 1b 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: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

3 bound ligands:

1 modified residue:

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)