› 8evw

X-ray diffraction
1.22Å resolution

DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala

Released:
DOI: 10.2210/pdb8evw/pdb
Model geometry
Fit model/data
PDB entry 8evw coloured by chain, front view.
PDB entry 8evw coloured by chain, side view.
PDB entry 8evw coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Comparative functional and structural analysis of Pseudomonas aeruginosa ᴅ-alanine-ᴅ-alanine ligase isoforms as prospective antibiotic targets.
Pederick JL, Woolman JC, Bruning JB
FEBS J (2023)
PMID: 37581574

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-227945 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-alanine--D-alanine ligase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 347 amino acids
Theoretical weight: 36.63 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9HWI0 (Residues: 1-346; Coverage: 100%)
Gene names: PA4201, ddlA
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand ATP 2 x ATP
Ligand DAL 4 x DAL
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 47.273Å b: 123.615Å c: 53.582Å
α: 90° β: 109.12° γ: 90°
R-values:
R R work R free
0.161 0.16 0.18
Expression system: Escherichia coli BL21(DE3)

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