› 3q1k

X-ray diffraction
2.2Å resolution

The Crystal Structure of the D-alanyl-alanine Synthetase A from Salmonella enterica Typhimurium Complexed with ADP

Released:
DOI: 10.2210/pdb3q1k/pdb
PDB entry 3q1k coloured by chain, front view.
PDB entry 3q1k coloured by chain, side view.
PDB entry 3q1k coloured by chain, top view.
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Entry authors: Zhang R, Maltseva N, Papazisi L, Anderson W, 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-140984 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-alanine--D-alanine ligase A Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 367 amino acids
Theoretical weight: 39.95 KDa
Source organism: Salmonella enterica subsp. enterica serovar Typhimurium
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A1F0 (Residues: 1-364; Coverage: 100%)
Gene names: STM0380, ddlA
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand ADP 4 x ADP
Ligand FMT 5 x FMT
Ligand MG 3 x MG
Ligand GOL 4 x GOL
Ligand SO4 1 x SO4
1 modified residue:
Ligand MSE 24 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 85.153Å b: 85.813Å c: 230.893Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.176 0.221
Expression system: Escherichia coli

Quick links