2c4v: Difference between revisions
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[[Image:2c4v.gif|left|200px]]<br /> | [[Image:2c4v.gif|left|200px]]<br /><applet load="2c4v" size="450" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="2c4v" size="450" color="white" frame="true" align="right" spinBox="true" | |||
caption="2c4v, resolution 2.50Å" /> | caption="2c4v, resolution 2.50Å" /> | ||
'''H. PYLORI TYPE II DHQASE IN COMPLEX WITH CITRATE'''<br /> | '''H. PYLORI TYPE II DHQASE IN COMPLEX WITH CITRATE'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
2C4V is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Helicobacter_pylori Helicobacter pylori] with CIT as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] | 2C4V is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Helicobacter_pylori Helicobacter pylori] with CIT as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/3-dehydroquinate_dehydratase 3-dehydroquinate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.10 4.2.1.10] Known structural/functional Site: <scene name='pdbsite=AC1:Cit Binding Site For Chain A'>AC1</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2C4V OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: shikimate pathway]] | [[Category: shikimate pathway]] | ||
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Revision as of 20:00, 18 December 2007
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H. PYLORI TYPE II DHQASE IN COMPLEX WITH CITRATE
OverviewOverview
The crystal structures of the type II dehydroquinase (DHQase) from, Helicobacter pylori in complex with three competitive inhibitors have been, determined. The inhibitors are the substrate analogue 2,3-anhydroquinate, (FA1), citrate, and an oxoxanthene sulfonamide derivative (AH9095)., Despite the very different chemical nature of the inhibitors, in each case, the primary point of interaction with the enzyme is via the residues that, bind the C1 functionalities of the substrate, 3-dehydroquinate, i.e., N76, H102, I103, and H104. The DHQase/AH9095 complex crystal structure shows, that sulfonamides can form a scaffold for nonsubstrate-like inhibitors and, identifies a large conserved hydrophobic patch at the entrance to the, active site as a locus that can be exploited in the development of new, ligands.
About this StructureAbout this Structure
2C4V is a Single protein structure of sequence from Helicobacter pylori with CIT as ligand. Active as 3-dehydroquinate dehydratase, with EC number 4.2.1.10 Known structural/functional Site: . Full crystallographic information is available from OCA.
ReferenceReference
Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design., Robinson DA, Stewart KA, Price NC, Chalk PA, Coggins JR, Lapthorn AJ, J Med Chem. 2006 Feb 23;49(4):1282-90. PMID:16480265
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