› 5hka

X-ray diffraction
2.05Å resolution

Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor

Released:
DOI: 10.2210/pdb5hka/pdb
PDB entry 5hka coloured by chain, front view.
PDB entry 5hka coloured by chain, side view.
PDB entry 5hka coloured by chain, top view.
Source organism: Pseudomonas aeruginosa UCBPP-PA14
Primary publication:
Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
Kitamura S, Hvorecny KL, Niu J, Hammock BD, Madden DR, Morisseau C
J Med Chem 59 4790-9 (2016)
PMID: 27120257

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-101701 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 301 amino acids
Theoretical weight: 34.16 KDa
Source organism: Pseudomonas aeruginosa UCBPP-PA14
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0H2ZD27 (Residues: 25-319; Coverage: 100%)
Gene name: PA14_26090
Sequence domains: Alpha/beta hydrolase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand 64N 4 x 64N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: C2
Unit cell:
a: 168.971Å b: 83.711Å c: 88.879Å
α: 90° β: 100.68° γ: 90°
R-values:
R R work R free
0.164 0.162 0.197
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Effects of Pseudomonas aeruginosa on CFTR chloride secretion and the host immune response.
Stanton BA. (2017)
2 more

1 mention without citation

Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
Kitamura et al. (2016)