2YFL: Crystal Structure Of Biphenyl Dioxygenase Variant Rr41 With 2-Chloro Dibenzofuran

Citation:
Abstract
The biphenyl dioxygenase of Burkholderia xenovorans LB400 (BphAE(LB400)) is a Rieske-type oxygenase that catalyzes the stereospecific oxygenation of many heterocyclic aromatics including dibenzofuran. In a previous work, we evolved BphAE(LB400) and obtained BphAE(RR41). This variant metabolizes dibenzofuran and 2-chlorodibenzofuran more efficiently than BphAE(LB400). However, the regiospecificity of BphAE(RR41) toward these substrates differs. Dibenzofuran is metabolized principally through a lateral dioxygenation whereas 2-chlorodibenzofuran is metabolized principally through an angular dioxygenation. In order to explain this difference, we examined the crystal structures of both substrate-bound forms of BphAE(RR41) obtained under anaerobic conditions. This structure analysis, in combination with biochemical data for a Ser283Gly mutant provided evidences that the substrate is compelled to move after oxygen-binding in BphAE(RR41):dibenzofuran. In BphAE(RR41):2-chlorodibenzofuran, the chlorine atom is close to the side chain of Ser283. This contact is missing in the BphAE(RR41):dibenzofuran, and strong enough in the BphAE(RR41):2-chlorodibenzofuran to help prevent substrate movement during the catalytic reaction.
PDB ID: 2YFLDownload
MMDB ID: 99621
PDB Deposition Date: 2011/4/6
Updated in MMDB: 2012/05
Experimental Method:
x-ray diffraction
Resolution: 2.6  Å
Source Organism:
Similar Structures:
Biological Unit for 2YFL: hexameric; determined by author and by software (PISA)
Molecular Components in 2YFL
Label Count Molecule
Proteins (6 molecules)
3
Biphenyl Dioxygenase Subunit Alpha(Gene symbol: BXE_RS42315)
Molecule annotation
3
Biphenyl Dioxygenase Subunit Beta(Gene symbol: BXE_RS42310)
Molecule annotation
Chemicals (6 molecules)
1
3
2
3
* Click molecule labels to explore molecular sequence information.

Citing MMDB
.