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X-ray diffraction
1.8Å resolution

Crystal structure of UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) from Pseudomonas aeruginosa in complex with CHIR-090 inhibitor

Released:
DOI: 10.2210/pdb5vwm/pdb
Model geometry
Fit model/data
PDB entry 5vwm coloured by chain, front view.
PDB entry 5vwm coloured by chain, side view.
PDB entry 5vwm coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

Reaction catalysed: 
a UDP-3-O-[(3R)-3-hydroxyacyl]-N-acetyl-alpha-D-glucosamine + H2O =a UDP-3-O-[(3R)-3-hydroxyacyl]-alpha-D-glucosamine + acetate.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155612 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-3-O-acyl-N-acetylglucosamine deacetylase Chain: A
Molecule details ›
Chain: A
Length: 400 amino acids
Theoretical weight: 44.7 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P47205 (Residues: 1-303; Coverage: 100%)
Gene names: PA4406, envA, lpxC
Sequence domains: UDP-3-O-acyl N-acetylglycosamine deacetylase
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand C90 1 x C90
Ligand ZN 1 x ZN
Ligand CL 1 x CL
Ligand CA 1 x CA
Ligand EDO 3 x EDO
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NSLS BEAMLINE X8C
Spacegroup: P1
Unit cell:
a: 35.85Å b: 47.59Å c: 48.41Å
α: 111.3° β: 109° γ: 98.39°
R-values:
R R work R free
0.142 0.138 0.178
Expression system: Escherichia coli BL21(DE3)

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