› 3ps3

X-ray diffraction
2.1Å resolution

Crystal structure of the Escherichia Coli LPXC/LPC-053 complex

Released:
DOI: 10.2210/pdb3ps3/pdb
PDB entry 3ps3 coloured by chain, front view.
PDB entry 3ps3 coloured by chain, side view.
PDB entry 3ps3 coloured by chain, top view.
Source organism: Escherichia coli IHE3034
Primary publication:
Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Liang X, Lee CJ, Chen X, Chung HS, Zeng D, Raetz CR, Li Y, Zhou P, Toone EJ
Bioorg Med Chem 19 852-60 (2011)
PMID: 21194954

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163896 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase Chain: A
Molecule details ›
Chain: A
Length: 300 amino acids
Theoretical weight: 33.55 KDa
Source organism: Escherichia coli IHE3034
Expression system: Escherichia coli BL21(DE3)
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand ZN 1 x ZN
Ligand L53 1 x L53
Ligand UKW 1 x UKW
Ligand DMS 2 x DMS
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P61
Unit cell:
a: 107.745Å b: 107.745Å c: 53.509Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.198 0.195 0.24
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

The Power of Asymmetry: Architecture and Assembly of the Gram-Negative Outer Membrane Lipid Bilayer.
Henderson et al. (2016)
8 more

1 mention without citation

Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Liang et al. (2011)