› 4jb1

X-ray diffraction
2.1Å resolution

Crystal structure of P. aeruginosa MurB in complex with NADP+

Released:
DOI: 10.2210/pdb4jb1/pdb
PDB entry 4jb1 coloured by chain, front view.
PDB entry 4jb1 coloured by chain, side view.
PDB entry 4jb1 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Substrate Channel Flexibility in Pseudomonas aeruginosa MurB Accommodates Two Distinct Substrates.
Chen MW, Lohkamp B, Schnell R, Lescar J, Schneider G
PLoS One 8 e66936 (2013)
PMID: 23805286

Function and Biology Details

Reaction catalysed: 
UDP-N-acetyl-alpha-D-muramate + NADP(+) = UDP-N-acetyl-3-O-(1-carboxyvinyl)-alpha-D-glucosamine + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191201 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-N-acetylenolpyruvoylglucosamine reductase Chain: A
Molecule details ›
Chain: A
Length: 340 amino acids
Theoretical weight: 37.77 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9HZM7 (Residues: 1-339; Coverage: 100%)
Gene names: PA2977, murB
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD

Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P61
Unit cell:
a: 88.71Å b: 88.71Å c: 100.22Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.183 0.18 0.236
Expression system: Escherichia coli

Quick links

Citations

2 mentions without citation

Discovery of Novel Inhibitors of Uridine Diphosphate-N-Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa, an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
Acebrón-García-de-Eulate et al. (2022)
1 more