› 1iov

X-ray diffraction
2.2Å resolution

COMPLEX OF D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHONATE

Released:
DOI: 10.2210/pdb1iov/pdb
PDB entry 1iov coloured by chain, front view.
PDB entry 1iov coloured by chain, side view.
PDB entry 1iov coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
D-alanine:D-alanine ligase: phosphonate and phosphinate intermediates with wild type and the Y216F mutant.
Fan C, Park IS, Walsh CT, Knox JR
Biochemistry 36 2531-8 (1997)
PMID: 9054558

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 domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139801 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-alanine--D-alanine ligase B Chain: A
Molecule details ›
Chain: A
Length: 306 amino acids
Theoretical weight: 32.87 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P07862 (Residues: 1-306; Coverage: 100%)
Gene names: JW0090, b0092, ddl, ddlB
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 3 x MG
Ligand ADP 1 x ADP
Ligand POB 1 x POB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P21212
Unit cell:
a: 98.6Å b: 51Å c: 51.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.156 0.204
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Cytoplasmic steps of peptidoglycan biosynthesis.
Barreteau et al. (2008)
7 more

12 mentions without citation

Divergence and convergence in enzyme evolution.
Galperin et al. (2012)
11 more