PDBe 2i87

X-ray diffraction
2Å 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: 364 amino acids
Theoretical weight: 41.35 KDa
Source organism: Staphylococcus aureus subsp. aureus COL
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: 67.661Å b: 66.408Å c: 78.59Å
α: 90° β: 96.24° γ: 90°
R-values:
R R work R free
0.202 0.2 0.241
Expression system: Escherichia coli