› 7ss6

X-ray diffraction
1.74Å resolution

Structure of Klebsiella LpxH in complex with JH-LPH-45

Released:
DOI: 10.2210/pdb7ss6/pdb
PDB entry 7ss6 coloured by chain, front view.
PDB entry 7ss6 coloured by chain, side view.
PDB entry 7ss6 coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Development of LpxH inhibitors chelating the active site di-manganese metal cluster of LpxH.
Kwak SH, Cochrane CS, Cho J, Dome PA, Ennis AF, Kim JH, Zhou P, Hong J
ChemMedChem e202300023 (2023)
PMID: 37014664

Function and Biology Details

Reaction catalysed: 
A UDP-2-N,3-O-bis((3R)-3-hydroxyacyl)-alpha-D-glucosamine + H(2)O = a lipid X + UMP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108027 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-2,3-diacylglucosamine hydrolase Chain: A
Molecule details ›
Chain: A
Length: 259 amino acids
Theoretical weight: 29.63 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: A6T5R0 (Residues: 1-240; Coverage: 100%)
Gene names: KPN78578_04700, KPN_00480, lpxH
Sequence domains: Calcineurin-like phosphoesterase

Ligands and Environments

3 bound ligands:
Ligand MN 2 x MN
Ligand BKB 1 x BKB
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P3221
Unit cell:
a: 105.82Å b: 105.82Å c: 53.62Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.167 0.195
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Unrealized targets in the discovery of antibiotics for Gram-negative bacterial infections.
Theuretzbacher et al. (2023)