2fqt

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[[Image:2fqt.gif|left|200px]]<br /><applet load="2fqt" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2fqt.gif|left|200px]]
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caption="2fqt, resolution 1.79&Aring;" />
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'''Crystal structure of B.subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3S)-2,3-dihydroxy-3-N-hydroxycarbamoyl-propylmercapto]butyric acid'''<br />
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{{Structure
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|PDB= 2fqt |SIZE=350|CAPTION= <scene name='initialview01'>2fqt</scene>, resolution 1.79&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene> and <scene name='pdbligand=H1D:(2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID'>H1D</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/S-ribosylhomocysteine_lyase S-ribosylhomocysteine lyase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.21 4.4.1.21]
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|GENE= luxS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1423 Bacillus subtilis])
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}}
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'''Crystal structure of B.subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3S)-2,3-dihydroxy-3-N-hydroxycarbamoyl-propylmercapto]butyric acid'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2FQT is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis] with <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=CO:'>CO</scene> and <scene name='pdbligand=H1D:'>H1D</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/S-ribosylhomocysteine_lyase S-ribosylhomocysteine lyase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.4.1.21 4.4.1.21] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FQT OCA].
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2FQT is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2FQT OCA].
==Reference==
==Reference==
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Design and synthesis of substrate and intermediate analogue inhibitors of S-ribosylhomocysteinase., Shen G, Rajan R, Zhu J, Bell CE, Pei D, J Med Chem. 2006 May 18;49(10):3003-11. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16686542 16686542]
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Design and synthesis of substrate and intermediate analogue inhibitors of S-ribosylhomocysteinase., Shen G, Rajan R, Zhu J, Bell CE, Pei D, J Med Chem. 2006 May 18;49(10):3003-11. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16686542 16686542]
[[Category: Bacillus subtilis]]
[[Category: Bacillus subtilis]]
[[Category: S-ribosylhomocysteine lyase]]
[[Category: S-ribosylhomocysteine lyase]]
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[[Category: H1D]]
[[Category: H1D]]
[[Category: SO4]]
[[Category: SO4]]
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[[Category: luxs]]
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[[Category: lux]]
[[Category: quorum sensing]]
[[Category: quorum sensing]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:24:11 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:55:41 2008''

Revision as of 14:55, 20 March 2008

Image:2fqt.gif


PDB ID 2fqt

Drag the structure with the mouse to rotate
, resolution 1.79Å
Ligands: , and
Gene: luxS (Bacillus subtilis)
Activity: S-ribosylhomocysteine lyase, with EC number 4.4.1.21
Coordinates: save as pdb, mmCIF, xml



Crystal structure of B.subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3S)-2,3-dihydroxy-3-N-hydroxycarbamoyl-propylmercapto]butyric acid


Overview

S-Ribosylhomocysteinase (LuxS) catalyzes the cleavage of the thioether linkage in S-ribosylhomocysteine (SRH) to produce homocysteine and 4,5-dihydroxy-2,3-pentanedione, the precursor of autoinducer 2. Inhibitors of LuxS should interfere with bacterial interspecies communication and potentially provide a novel class of antibacterial agents. LuxS utilizes a divalent metal ion as a Lewis acid during catalysis. In this work, a series of structural analogues of the substrate SRH and a 2-ketone intermediate were designed and synthesized. Kinetic studies indicate that the compounds act as reversible, competitive inhibitors against LuxS, with the most potent inhibitors having K(I) values in the submicromolar range. These represent the most potent LuxS inhibitors that have been reported to date. Cocrystal structures of LuxS bound with two of the inhibitors largely confirmed the design principles, i.e., the importance of both the homocysteine and ribose moieties in high-affinity binding to the LuxS active site.

About this Structure

2FQT is a Single protein structure of sequence from Bacillus subtilis. Full crystallographic information is available from OCA.

Reference

Design and synthesis of substrate and intermediate analogue inhibitors of S-ribosylhomocysteinase., Shen G, Rajan R, Zhu J, Bell CE, Pei D, J Med Chem. 2006 May 18;49(10):3003-11. PMID:16686542

Page seeded by OCA on Thu Mar 20 16:55:41 2008

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