2c4w: Difference between revisions

Revision as of 21:15, 3 May 2008

TYPE II DEHYDROQUINASE FROM H. PYLORI IN COMPLEX WITH AH9095

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

2C4W 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 Page seeded by OCA on Sat May 3 21:15:15 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:2c4w.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2c4w |SIZE=350|CAPTION= <scene name='initialview01'>2c4w</scene>, resolution 1.55&Aring;
+The line below this paragraph, containing "STRUCTURE_2c4w", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Imd+Binding+Site+For+Chain+A'>AC1</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=GAJ:N-TETRAZOL-5-YL+9-OXO-9H-XANTHENE-2+SULPHONAMIDE'>GAJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|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>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_2c4w|  PDB=2c4w  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2c4w FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2c4w OCA], [http://www.ebi.ac.uk/pdbsum/2c4w PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2c4w RCSB]</span>
-}}
 '''TYPE II DEHYDROQUINASE FROM H. PYLORI IN COMPLEX WITH AH9095'''
@@ Line 29: / Line 26: @@
 [[Category: Robinson, D A.]]
 [[Category: 3-dehydroquinase]]
-[[Category: aromatic amino acid biosynthesis]]
+[[Category: Aromatic amino acid biosynthesis]]
-[[Category: dehydroquinate]]
+[[Category: Dehydroquinate]]
-[[Category: lyase]]
+[[Category: Lyase]]
-[[Category: shikimate pathway]]
+[[Category: Shikimate pathway]]
-[[Category: sulphonamide]]
+[[Category: Sulphonamide]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 21:15:15 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:16:23 2008''