› 5n8c

X-ray diffraction
1.9Å resolution

Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor

Released:
DOI: 10.2210/pdb5n8c/pdb
PDB entry 5n8c coloured by chain, front view.
PDB entry 5n8c coloured by chain, side view.
PDB entry 5n8c coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Structure-based discovery of LpxC inhibitors.
Zhang J, Chan A, Lippa B, Cross JB, Liu C, Yin N, Romero JA, Lawrence J, Heney R, Herradura P, Goss J, Clark C, Abel C, Zhang Y, Poutsiaka KM, Epie F, Conrad M, Mahamoon A, Nguyen K, Chavan A, Clark E, Li TC, Cheng RK, Wood M, Andersen OA, Brooks M, Kwong J, Barker J, Parr IB, Gu Y, Ryan MD, Coleman S, Metcalf CA
Bioorg Med Chem Lett 27 1670-1680 (2017)
PMID: 28302397

Function and Biology Details

Reaction catalysed: 
UDP-3-O-((3R)-3-hydroxyacyl)-N-acetyl-alpha-D-glucosamine + H(2)O = UDP-3-O-((3R)-3-hydroxyacyl)-alpha-D-glucosamine + acetate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 304 amino acids
Theoretical weight: 33.55 KDa
Source organism: Pseudomonas aeruginosa
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

3 bound ligands:
Ligand ZN 4 x ZN
Ligand 8Q8 2 x 8Q8
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P21
Unit cell:
a: 35.44Å b: 95.31Å c: 89.72Å
α: 90° β: 96.34° γ: 90°
R-values:
R R work R free
0.152 0.149 0.203
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
2 more