YwhB binary complex with 2-Fluoro-p-hydroxycinnamateYwhB binary complex with 2-Fluoro-p-hydroxycinnamate

Structural highlights

2opa is a 2 chain structure with sequence from Bacillus subtilis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.4Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

4OT_BACSU Catalyzes both 1,3- and 1,5-keto-enol tautomerization of the diacid 2-hydroxymuconate (2-hydroxy-2,4-hexadienedioate) to produce 2-oxo-4-hexenedioate. This reaction is highly stereoselective and produces a mixture of stereoisomers, where the (3S)-isomer of 2-oxo-4-hexenedioate predominates. Also catalyzes the tautomerization of 2-hydroxymuconate to 2-oxo-3-hexenedioate, however this reaction is slower and occurs after the tautomerization of 2-hydroxymuconate to 2-oxo-4-hexenedioate. Using 2-hydroxy-2,4-pentadienoate, phenylenolpyruvate, (p-hydroxyphenyl)-enolpyruvate and 2-hydroxy-2,4-heptadiene-1,7-dioate, YwhB is a highly efficient 1,3-keto-enol tautomerase, but clearly not a 1,5-keto-enol tautomerase. Tautomerization of the two monoacids 2-hydroxy-2,4-pentadienoate and phenylenolpyruvate produces a mixture of stereoisomers, where the (3R)-isomers predominate.[1]

Evolutionary Conservation

 

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

References

  1. Wang SC, Johnson WH Jr, Czerwinski RM, Stamps SL, Whitman CP. Kinetic and stereochemical analysis of YwhB, a 4-oxalocrotonate tautomerase homologue in Bacillus subtilis: mechanistic implications for the YwhB- and 4-oxalocrotonate tautomerase-catalyzed reactions. Biochemistry. 2007 Oct 23;46(42):11919-29. Epub 2007 Sep 29. PMID:17902707 doi:http://dx.doi.org/10.1021/bi701231a

2opa, resolution 2.40Å

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OCA