› 6dgi

X-ray diffraction
2.3Å resolution

The crystal structure of D-alanyl-alanine synthetase A from Vibrio cholerae O1 biovar eltor str. N16961

Released:
DOI: 10.2210/pdb6dgi/pdb
PDB entry 6dgi coloured by chain, front view.
PDB entry 6dgi coloured by chain, side view.
PDB entry 6dgi coloured by chain, top view.
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Entry authors: Tan K, Zhou M, 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-191955 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-alanine--D-alanine ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 337 amino acids
Theoretical weight: 38 KDa
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9KM17 (Residues: 1-334; Coverage: 100%)
Gene names: VC_A0572, ddl
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand GOL 2 x GOL
Ligand ACT 1 x ACT
Ligand MG 2 x MG
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 63.588Å b: 64.875Å c: 165.16Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.177 0.219
Expression system: Escherichia coli BL21(DE3)

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