2y68

X-ray diffraction
1.49Å resolution

Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase

Released:

Function and Biology Details

Reaction catalysed:
ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanine + D-glutamate = ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-N-acetylmuramoylalanine--D-glutamate ligase Chain: A
Molecule details ›
Chain: A
Length: 445 amino acids
Theoretical weight: 47.98 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: P14900 (Residues: 1-438; Coverage: 100%)
Gene names: JW0086, b0088, murD
Sequence domains:
Structure domains:

Ligands and Environments

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P41
Unit cell:
a: 65.544Å b: 65.544Å c: 134.959Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.204
Expression system: Escherichia coli DH5[alpha]