2qvb

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[[Image:2qvb.jpg|left|200px]]<br /><applet load="2qvb" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2qvb.jpg|left|200px]]
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caption="2qvb, resolution 1.190&Aring;" />
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'''Crystal Structure of Haloalkane Dehalogenase Rv2579 from Mycobacterium tuberculosis'''<br />
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{{Structure
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|PDB= 2qvb |SIZE=350|CAPTION= <scene name='initialview01'>2qvb</scene>, resolution 1.190&Aring;
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|SITE= <scene name='pdbsite=AC1:Cl+Binding+Site+For+Residue+A+2'>AC1</scene>, <scene name='pdbsite=AC2:Cl+Binding+Site+For+Residue+B+2'>AC2</scene>, <scene name='pdbsite=AC3:Edo+Binding+Site+For+Residue+A+1'>AC3</scene> and <scene name='pdbsite=AC4:Edo+Binding+Site+For+Residue+B+1'>AC4</scene>
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|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene> and <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Haloalkane_dehalogenase Haloalkane dehalogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.8.1.5 3.8.1.5]
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|GENE= dhaA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis])
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}}
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'''Crystal Structure of Haloalkane Dehalogenase Rv2579 from Mycobacterium tuberculosis'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2QVB is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis] with <scene name='pdbligand=CL:'>CL</scene> and <scene name='pdbligand=EDO:'>EDO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Haloalkane_dehalogenase Haloalkane dehalogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.8.1.5 3.8.1.5] Known structural/functional Sites: <scene name='pdbsite=AC1:Cl+Binding+Site+For+Residue+A+2'>AC1</scene>, <scene name='pdbsite=AC2:Cl+Binding+Site+For+Residue+B+2'>AC2</scene>, <scene name='pdbsite=AC3:Edo+Binding+Site+For+Residue+A+1'>AC3</scene> and <scene name='pdbsite=AC4:Edo+Binding+Site+For+Residue+B+1'>AC4</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QVB OCA].
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2QVB is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QVB OCA].
==Reference==
==Reference==
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X-ray crystal structure of Mycobacterium tuberculosis haloalkane dehalogenase Rv2579., Mazumdar PA, Hulecki JC, Cherney MM, Garen CR, James MN, Biochim Biophys Acta. 2008 Feb;1784(2):351-62. Epub 2007 Nov 13. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18062934 18062934]
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X-ray crystal structure of Mycobacterium tuberculosis haloalkane dehalogenase Rv2579., Mazumdar PA, Hulecki JC, Cherney MM, Garen CR, James MN, Biochim Biophys Acta. 2008 Feb;1784(2):351-62. Epub 2007 Nov 13. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18062934 18062934]
[[Category: Haloalkane dehalogenase]]
[[Category: Haloalkane dehalogenase]]
[[Category: Mycobacterium tuberculosis]]
[[Category: Mycobacterium tuberculosis]]
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[[Category: x-ray crystallography]]
[[Category: x-ray crystallography]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:42:35 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:29:57 2008''

Revision as of 16:29, 20 March 2008

Image:2qvb.jpg


PDB ID 2qvb

Drag the structure with the mouse to rotate
, resolution 1.190Å
Sites: , , and
Ligands: and
Gene: dhaA (Mycobacterium tuberculosis)
Activity: Haloalkane dehalogenase, with EC number 3.8.1.5
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of Haloalkane Dehalogenase Rv2579 from Mycobacterium tuberculosis


Overview

Haloalkane dehalogenases are enzymes well known to be important in bioremediation; the organisms from which they are produced are able to clean up toxic organohalides from polluted environments. However, besides being found in such contaminated environments, these enzymes have also been found in root or tissue-colonizing bacterial species. The haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis H37Rv has been cloned, expressed, purified and its crystal structure determined at high resolution (1.2A). In addition, the crystal structure of the enzyme has been determined in complex with the product from the reaction with 1,3-dibromopropane, i.e. 1,3-propanediol and in complex with the classical substrate of haloalkane dehalogenases, 1,2-dichloroethane. The enzyme is a two-domain protein having a catalytic domain of an alpha/beta hydrolase fold and a cap domain. The active site residues and the halide-stabilizing residues have been identified as Asp109, Glu133, His273, Asn39 and Trp110. Its overall structure is similar to those of other known haloalkane dehalogenases. Its mechanism of action involves an S(N)2 nucleophilic displacement.

About this Structure

2QVB is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.

Reference

X-ray crystal structure of Mycobacterium tuberculosis haloalkane dehalogenase Rv2579., Mazumdar PA, Hulecki JC, Cherney MM, Garen CR, James MN, Biochim Biophys Acta. 2008 Feb;1784(2):351-62. Epub 2007 Nov 13. PMID:18062934

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