› 2i80

X-ray diffraction
2.19Å resolution

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

Released:
DOI: 10.2210/pdb2i80/pdb
PDB entry 2i80 coloured by chain, front view.
PDB entry 2i80 coloured by chain, side view.
PDB entry 2i80 coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Liu S, Chang JS, Herberg JT, Horng MM, Tomich PK, Lin AH, Marotti KR
Proc Natl Acad Sci U S A 103 15178-83 (2006)
PMID: 17015835

Function and Biology Details

Reaction catalysed: 
ATP + 2 D-alanine = ADP + phosphate + D-alanyl-D-alanine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177181 (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:
Ligand G1L 2 x G1L
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

Quick links

Citations

3 review citations

Cytoplasmic steps of peptidoglycan biosynthesis.
Barreteau et al. (2008)
2 more

7 mentions without citation

The Blueprint of a Minimal Cell: MiniBacillus.
Reuß et al. (2016)
6 more