2c57: Difference between revisions
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[[Image:2c57.gif|left|200px]] | [[Image:2c57.gif|left|200px]] | ||
'''H.PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH FA1''' | {{Structure | ||
|PDB= 2c57 |SIZE=350|CAPTION= <scene name='initialview01'>2c57</scene>, resolution 3.10Å | |||
|SITE= <scene name='pdbsite=AC1:Fa1+Binding+Site+For+Chain+L'>AC1</scene> | |||
|LIGAND= <scene name='pdbligand=FA1:2,3 -ANHYDRO-QUINIC ACID'>FA1</scene> | |||
|ACTIVITY= [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] | |||
|GENE= | |||
}} | |||
'''H.PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH FA1''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2C57 is a [ | 2C57 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Helicobacter_pylori Helicobacter pylori]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2C57 OCA]. | ||
==Reference== | ==Reference== | ||
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:[http:// | 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:[http://www.ncbi.nlm.nih.gov/pubmed/16480265 16480265] | ||
[[Category: 3-dehydroquinate dehydratase]] | [[Category: 3-dehydroquinate dehydratase]] | ||
[[Category: Helicobacter pylori]] | [[Category: Helicobacter pylori]] | ||
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[[Category: sulphonamide]] | [[Category: sulphonamide]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:10:56 2008'' | ||
Revision as of 17:10, 20 March 2008
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| , resolution 3.10Å | |||||||
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| Sites: | |||||||
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| Activity: | 3-dehydroquinate dehydratase, with EC number 4.2.1.10 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
H.PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH FA1
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
2C57 is a Single protein structure of sequence from Helicobacter pylori. 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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