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2aqj

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[[Image:2aqj.gif|left|200px]]<br /><applet load="2aqj" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2aqj.gif|left|200px]]
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caption="2aqj, resolution 1.800&Aring;" />
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'''The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination'''<br />
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{{Structure
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|PDB= 2aqj |SIZE=350|CAPTION= <scene name='initialview01'>2aqj</scene>, resolution 1.800&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=TRP:TRYPTOPHAN'>TRP</scene> and <scene name='pdbligand=FAD:FLAVIN-ADENINE DINUCLEOTIDE'>FAD</scene>
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|ACTIVITY=
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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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'''The structure of tryptophan 7-halogenase (PrnA) suggests a mechanism for regioselective chlorination'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2AQJ is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_fluorescens Pseudomonas fluorescens] with <scene name='pdbligand=CL:'>CL</scene>, <scene name='pdbligand=TRP:'>TRP</scene> and <scene name='pdbligand=FAD:'>FAD</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AQJ OCA].
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2AQJ is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Pseudomonas_fluorescens Pseudomonas fluorescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AQJ OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16195462 16195462]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/16195462 16195462]
[[Category: Pseudomonas fluorescens]]
[[Category: Pseudomonas fluorescens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: flavin-dependent halogenase]]
[[Category: flavin-dependent halogenase]]
[[Category: helical bundle]]
[[Category: helical bundle]]
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[[Category: sandwiched sheets]]
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[[Category: sandwiched sheet]]
[[Category: scottish structural proteomics facility]]
[[Category: scottish structural proteomics facility]]
[[Category: sspf]]
[[Category: sspf]]
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[[Category: structural genomics]]
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[[Category: structural genomic]]
[[Category: tryptophan 7-halogenase]]
[[Category: tryptophan 7-halogenase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:29:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:52:37 2008''

Revision as of 13:52, 20 March 2008

Image:2aqj.gif


PDB ID 2aqj

Drag the structure with the mouse to rotate
, resolution 1.800Å
Ligands: , and
Gene: prnA (Pseudomonas fluorescens)
Coordinates: save as pdb, mmCIF, xml



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

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