2c4v: Difference between revisions
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|PDB= 2c4v |SIZE=350|CAPTION= <scene name='initialview01'>2c4v</scene>, resolution 2.50Å | |PDB= 2c4v |SIZE=350|CAPTION= <scene name='initialview01'>2c4v</scene>, resolution 2.50Å | ||
|SITE= <scene name='pdbsite=AC1:Cit+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:Cit+Binding+Site+For+Chain+A'>AC1</scene> | ||
|LIGAND= <scene name='pdbligand=CIT:CITRIC ACID'>CIT</scene> | |LIGAND= <scene name='pdbligand=CIT:CITRIC+ACID'>CIT</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] | |ACTIVITY= <span class='plainlinks'>[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] </span> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c4v OCA], [http://www.ebi.ac.uk/pdbsum/2c4v PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c4v RCSB]</span> | |||
}} | }} | ||
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[[Category: Lapthorn, A J.]] | [[Category: Lapthorn, A J.]] | ||
[[Category: Robinson, D A.]] | [[Category: Robinson, D A.]] | ||
[[Category: 3-dehydroquinase]] | [[Category: 3-dehydroquinase]] | ||
[[Category: aromatic amino acid biosynthesis]] | [[Category: aromatic amino acid biosynthesis]] | ||
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[[Category: shikimate pathway]] | [[Category: shikimate pathway]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:16:21 2008'' | ||
Revision as of 02:16, 31 March 2008
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| , resolution 2.50Å | |||||||
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| Sites: | |||||||
| Ligands: | |||||||
| Activity: | 3-dehydroquinate dehydratase, with EC number 4.2.1.10 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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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