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| {{STRUCTURE_1zmo| PDB=1zmo | SCENE= }} | | {{STRUCTURE_1zmo| PDB=1zmo | SCENE= }} |
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| '''Apo structure of haloalcohol dehalogenase HheA of Arthrobacter sp. AD2'''
| | ===Apo structure of haloalcohol dehalogenase HheA of Arthrobacter sp. AD2=== |
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| ==Overview==
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| Haloalcohol dehalogenases are bacterial enzymes that cleave the carbon-halogen bond in short aliphatic vicinal haloalcohols, like 1-chloro-2,3-propanediol, some of which are recalcitrant environmental pollutants. They use a conserved Ser-Tyr-Arg catalytic triad to deprotonate the haloalcohol oxygen, which attacks the halogen-bearing carbon atom, producing an epoxide and a halide ion. Here, we present the X-ray structure of the haloalcohol dehalogenase HheA(AD2) from Arthrobacter sp. strain AD2 at 2.0-A resolution. Comparison with the previously reported structure of the 34% identical enantioselective haloalcohol dehalogenase HheC from Agrobacterium radiobacter AD1 shows that HheA(AD2) has a similar quaternary and tertiary structure but a much more open substrate-binding pocket. Docking experiments reveal that HheA(AD2) can bind both enantiomers of the haloalcohol substrate 1-p-nitrophenyl-2-chloroethanol in a productive way, which explains the low enantiopreference of HheA(AD2). Other differences are found in the halide-binding site, where the side chain amino group of Asn182 is in a position to stabilize the halogen atom or halide ion in HheA(AD2), in contrast to HheC, where a water molecule has taken over this role. These results broaden the insight into the structural determinants that govern reactivity and selectivity in the haloalcohol dehalogenase family.
| | The line below this paragraph, {{ABSTRACT_PUBMED_16707696}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 16707696 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_16707696}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Lyase]] | | [[Category: Lyase]] |
| [[Category: Short-chain dehydrogenase/reductase family]] | | [[Category: Short-chain dehydrogenase/reductase family]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed May 14 11:36:25 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 15:45:10 2008'' |
