› 2xpc

X-ray diffraction
1.49Å resolution

Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid

Released:
DOI: 10.2210/pdb2xpc/pdb
PDB entry 2xpc coloured by chain, front view.
PDB entry 2xpc coloured by chain, side view.
PDB entry 2xpc coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Second-generation sulfonamide inhibitors of D-glutamic acid-adding enzyme: activity optimisation with conformationally rigid analogues of D-glutamic acid.
Sosič I, Barreteau H, Simčič M, Sink R, Cesar J, Zega A, Grdadolnik SG, Contreras-Martel C, Dessen A, Amoroso A, Joris B, Blanot D, Gobec S
Eur J Med Chem 46 2880-94 (2011)
PMID: 21524830

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:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147132 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-N-acetylmuramoylalanine--D-glutamate ligase Chain: A
Molecule details ›
Chain: A
Length: 439 amino acids
Theoretical weight: 47.16 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: P14900 (Residues: 2-438; Coverage: 100%)
Gene names: JW0086, b0088, murD
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand 051 1 x 051
Ligand DMS 3 x DMS
Ligand SO4 4 x SO4
Ligand CL 1 x CL
1 modified residue:
Ligand KCX 1 x KCX

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P41
Unit cell:
a: 65.659Å b: 65.659Å c: 135.642Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.199
Expression system: Escherichia coli DH5[alpha]

Quick links

Citations

5 review citations

Bacterial cell division proteins as antibiotic targets.
den Blaauwen et al. (2014)
4 more

2 mentions without citation

Recent developments on UDP-N-acetylmuramoyl-L-alanine-D-gutamate ligase (Mur D) enzyme for antimicrobial drug development: An emphasis on in-silico approaches.
Gaur et al. (2022)
1 more