› 3r23

X-ray diffraction
2.5Å resolution

Crystal Structure of D-alanine--D-Alanine Ligase from Bacillus anthracis

Released:
DOI: 10.2210/pdb3r23/pdb
PDB entry 3r23 coloured by chain, front view.
PDB entry 3r23 coloured by chain, side view.
PDB entry 3r23 coloured by chain, top view.
Source organism: Bacillus anthracis str. Ames
Entry authors: Kim Y, Mulligan R, Hasseman J, Anderson WF, Joachimiak A, Center for Structural Genomics of Infectious Diseases (CSGID)

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-182582 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-alanine--D-alanine ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 307 amino acids
Theoretical weight: 34.82 KDa
Source organism: Bacillus anthracis str. Ames
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q81Q29 (Residues: 1-304; Coverage: 100%)
Gene names: BAS2435, BA_2610, GBAA_2610, ddl, ddlB
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand EDO 4 x EDO
1 modified residue:
Ligand MSE 28 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 65.878Å b: 83.187Å c: 128.38Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.191 0.256
Expression system: Escherichia coli BL21

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