› 3r5x

X-ray diffraction
2Å resolution

Crystal Structure of D-alanine--D-Alanine Ligase from Bacillus anthracis complexed with ATP

Released:
DOI: 10.2210/pdb3r5x/pdb
PDB entry 3r5x coloured by chain, front view.
PDB entry 3r5x coloured by chain, side view.
PDB entry 3r5x coloured by chain, top view.
Source organism: Bacillus anthracis
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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 307 amino acids
Theoretical weight: 34.82 KDa
Source organism: Bacillus anthracis
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

5 bound ligands:
Ligand CA 7 x CA
Ligand ATP 4 x ATP
Ligand MG 1 x MG
Ligand EDO 1 x EDO
Ligand ACY 1 x ACY
1 modified residue:
Ligand MSE 56 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P1
Unit cell:
a: 56.336Å b: 68.992Å c: 92.387Å
α: 73.36° β: 84.96° γ: 75.46°
R-values:
R R work R free
0.18 0.177 0.221
Expression system: Escherichia coli BL21

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