PDBe 2i80

X-ray diffraction
2.19Å resolution

Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-alanine--D-alanine ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 360 amino acids
Theoretical weight: 40.8 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5HEB7 (Residues: 1-356; Coverage: 100%)
Gene names: SACOL2074, ddl
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 67.73Å b: 66.082Å c: 78.789Å
α: 90° β: 96.57° γ: 90°
R-values:
R R work R free
0.191 0.188 0.251
Expression system: Escherichia coli