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1pwx

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[[Image:1pwx.jpg|left|200px]]
[[Image:1pwx.jpg|left|200px]]
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{{Structure
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The line below this paragraph, containing "STRUCTURE_1pwx", creates the "Structure Box" on the page.
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|LIGAND= <scene name='pdbligand=BR:BROMIDE+ION'>BR</scene>
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{{STRUCTURE_1pwx| PDB=1pwx | SCENE= }}
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|RELATEDENTRY=[[1pwz|1PWZ]], [[1px0|1PX0]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1pwx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pwx OCA], [http://www.ebi.ac.uk/pdbsum/1pwx PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1pwx RCSB]</span>
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'''Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide'''
'''Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide'''
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[[Category: Tang, L.]]
[[Category: Tang, L.]]
[[Category: Tiesinga, J J.W.]]
[[Category: Tiesinga, J J.W.]]
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[[Category: haloalcohol dehalogenase]]
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[[Category: Haloalcohol dehalogenase]]
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[[Category: halohydrin dehalogenase]]
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[[Category: Halohydrin dehalogenase]]
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[[Category: halohydrin hydrogen-halide lyase]]
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[[Category: Halohydrin hydrogen-halide lyase]]
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[[Category: rossmann fold]]
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[[Category: Rossmann fold]]
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[[Category: sdr family]]
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[[Category: Sdr family]]
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[[Category: short-chain dehydrogenase/reductase]]
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[[Category: Short-chain dehydrogenase/reductase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 05:34:56 2008''
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Revision as of 02:34, 3 May 2008

Image:1pwx.jpg

Template:STRUCTURE 1pwx

Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide


Overview

Haloalcohol dehalogenases are bacterial enzymes that catalyze the cofactor-independent dehalogenation of vicinal haloalcohols such as the genotoxic environmental pollutant 1,3-dichloro-2-propanol, thereby producing an epoxide, a chloride ion and a proton. Here we present X-ray structures of the haloalcohol dehalogenase HheC from Agrobacterium radiobacter AD1, and complexes of the enzyme with an epoxide product and chloride ion, and with a bound haloalcohol substrate mimic. These structures support a catalytic mechanism in which Tyr145 of a Ser-Tyr-Arg catalytic triad deprotonates the haloalcohol hydroxyl function to generate an intramolecular nucleophile that substitutes the vicinal halogen. Haloalcohol dehalogenases are related to the widespread family of NAD(P)H-dependent short-chain dehydrogenases/reductases (SDR family), which use a similar Ser-Tyr-Lys/Arg catalytic triad to catalyze reductive or oxidative conversions of various secondary alcohols and ketones. Our results reveal the first structural details of an SDR-related enzyme that catalyzes a substitutive dehalogenation reaction rather than a redox reaction, in which a halide-binding site is found at the location of the NAD(P)H binding site. Structure-based sequence analysis reveals that the various haloalcohol dehalogenases have likely originated from at least two different NAD-binding SDR precursors.

About this Structure

1PWX is a Single protein structure of sequence from Agrobacterium tumefaciens. Full crystallographic information is available from OCA.

Reference

Structure and mechanism of a bacterial haloalcohol dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site., de Jong RM, Tiesinga JJ, Rozeboom HJ, Kalk KH, Tang L, Janssen DB, Dijkstra BW, EMBO J. 2003 Oct 1;22(19):4933-44. PMID:14517233 Page seeded by OCA on Sat May 3 05:34:56 2008

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