› 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 5hka coloured by chain and viewed from the front.
PDB 5hka coloured by chain and viewed from the side.
PDB 5hka coloured by chain and viewed from the top.
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. (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)
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

2 review citations

Abundant Monovalent Ions as Environmental Signposts for Pathogens during Host Colonization.
Tan S. (2021)
1 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)