2c4w
From Proteopedia
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| - | [[Image:2c4w.gif|left|200px]] | + | [[Image:2c4w.gif|left|200px]] |
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| - | '''TYPE II DEHYDROQUINASE FROM H. PYLORI IN COMPLEX WITH AH9095''' | + | {{Structure |
| + | |PDB= 2c4w |SIZE=350|CAPTION= <scene name='initialview01'>2c4w</scene>, resolution 1.55Å | ||
| + | |SITE= <scene name='pdbsite=AC1:Imd+Binding+Site+For+Chain+A'>AC1</scene> | ||
| + | |LIGAND= <scene name='pdbligand=GAJ:N-TETRAZOL-5-YL+9-OXO-9H-XANTHENE-2+SULPHONAMIDE'>GAJ</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</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= | ||
| + | }} | ||
| + | |||
| + | '''TYPE II DEHYDROQUINASE FROM H. PYLORI IN COMPLEX WITH AH9095''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2C4W is a [ | + | 2C4W 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=2C4W 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 16:10:49 2008'' |
Revision as of 14:10, 20 March 2008
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| , resolution 1.55Å | |||||||
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| Sites: | |||||||
| Ligands: | , and | ||||||
| Activity: | 3-dehydroquinate dehydratase, with EC number 4.2.1.10 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
TYPE II DEHYDROQUINASE FROM H. PYLORI IN COMPLEX WITH AH9095
Overview
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 Structure
2C4W is a Single protein structure of sequence from Helicobacter pylori. Full crystallographic information is available from OCA.
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:16480265
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