› 4fw4

X-ray diffraction
2.19Å resolution

Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor

Released:
DOI: 10.2210/pdb4fw4/pdb
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PDB entry 4fw4 coloured by chain, front view.
PDB entry 4fw4 coloured by chain, side view.
PDB entry 4fw4 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Entry authors: Kang YN, Stuckey JA

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:
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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 302 amino acids
Theoretical weight: 33.42 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: P47205 (Residues: 1-299; Coverage: 99%)
Gene names: PA4406, envA, lpxC
Sequence domains: UDP-3-O-acyl N-acetylglycosamine deacetylase
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand ZN 4 x ZN
Ligand 3P3 4 x 3P3
Ligand GOL 3 x GOL
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21
Unit cell:
a: 35.674Å b: 89.332Å c: 170.674Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.223
Expression system: Escherichia coli

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