› 5tnd

X-ray diffraction
1.55Å resolution

Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxycyclohexane hydrolysis intermediate

Released:
DOI: 10.2210/pdb5tnd/pdb
PDB entry 5tnd coloured by chain, front view.
PDB entry 5tnd coloured by chain, side view.
PDB entry 5tnd coloured by chain, top view.
Source organism: Pseudomonas aeruginosa UCBPP-PA14
Primary publication:
Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Hvorecny KL, Bahl CD, Kitamura S, Lee KSS, Hammock BD, Morisseau C, Madden DR
Structure 25 697-707.e4 (2017)
PMID: 28392259

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

2 bound ligands:
Ligand 40O 4 x 40O
Ligand 3ZQ 4 x 3ZQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: C2
Unit cell:
a: 168.339Å b: 83.926Å c: 89.287Å
α: 90° β: 100.48° γ: 90°
R-values:
R R work R free
0.151 0.15 0.174
Expression system: Escherichia coli

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Citations

1 review citation

Bacterial Outer Membrane Vesicles and Immune Modulation of the Host.
Charpentier et al. (2023)
6 other articles

2 mentions without citation

Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Hvorecny et al. (2017)
1 more