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2aqj

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[[Image:2aqj.gif|left|200px]]
[[Image:2aqj.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2aqj |SIZE=350|CAPTION= <scene name='initialview01'>2aqj</scene>, resolution 1.800&Aring;
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The line below this paragraph, containing "STRUCTURE_2aqj", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=TRP:TRYPTOPHAN'>TRP</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE= prnA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=294 Pseudomonas fluorescens])
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-->
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|DOMAIN=
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{{STRUCTURE_2aqj| PDB=2aqj | SCENE= }}
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|RELATEDENTRY=[[2apg|2APG]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2aqj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2aqj OCA], [http://www.ebi.ac.uk/pdbsum/2aqj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2aqj RCSB]</span>
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}}
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'''The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination'''
'''The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination'''
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[[Category: SSPF, Scottish Structural Proteomics Facility.]]
[[Category: SSPF, Scottish Structural Proteomics Facility.]]
[[Category: Unversucht, S.]]
[[Category: Unversucht, S.]]
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[[Category: flavin-dependent halogenase]]
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[[Category: Flavin-dependent halogenase]]
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[[Category: helical bundle]]
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[[Category: Helical bundle]]
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[[Category: sandwiched sheet]]
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[[Category: Sandwiched sheet]]
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[[Category: scottish structural proteomics facility]]
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[[Category: Scottish structural proteomics facility]]
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[[Category: sspf]]
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[[Category: Sspf]]
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[[Category: structural genomic]]
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[[Category: Structural genomic]]
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[[Category: tryptophan 7-halogenase]]
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[[Category: Tryptophan 7-halogenase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 19:21:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:55:56 2008''
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Revision as of 16:21, 3 May 2008

Template:STRUCTURE 2aqj

The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination


Overview

Chlorinated natural products include vancomycin and cryptophycin A. Their biosynthesis involves regioselective chlorination by flavin-dependent halogenases. We report the structural characterization of tryptophan 7-halogenase (PrnA), which regioselectively chlorinates tryptophan. Tryptophan and flavin adenine dinucleotide (FAD) are separated by a 10 angstrom-long tunnel and bound by distinct enzyme modules. The FAD module is conserved in halogenases and is related to flavin-dependent monooxygenases. On the basis of biochemical studies, crystal structures, and by analogy with monooxygenases, we predict that FADH2 reacts with O2 to make peroxyflavin, which is decomposed by Cl-. The resulting HOCl is guided through the tunnel to tryptophan, where it is activated to participate in electrophilic aromatic substitution.

About this Structure

2AQJ is a Single protein structure of sequence from Pseudomonas fluorescens. Full crystallographic information is available from OCA.

Reference

Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination., Dong C, Flecks S, Unversucht S, Haupt C, van Pee KH, Naismith JH, Science. 2005 Sep 30;309(5744):2216-9. PMID:16195462 Page seeded by OCA on Sat May 3 19:21:03 2008

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