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1yon

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[[Image:1yon.gif|left|200px]]
[[Image:1yon.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1yon |SIZE=350|CAPTION= <scene name='initialview01'>1yon</scene>, resolution 1.95&Aring;
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The line below this paragraph, containing "STRUCTURE_1yon", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=APX:2&#39;-MONOPHOSPHOADENOSINE-5&#39;-DIPHOSPHORIBOSE'>APX</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/2-dehydropantoate_2-reductase 2-dehydropantoate 2-reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.169 1.1.1.169] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= panE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])
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-->
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|DOMAIN=
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{{STRUCTURE_1yon| PDB=1yon | SCENE= }}
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|RELATEDENTRY=[[1ks9|1KS9]], [[1yjq|1YJQ]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1yon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yon OCA], [http://www.ebi.ac.uk/pdbsum/1yon PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1yon RCSB]</span>
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}}
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'''Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate'''
'''Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate'''
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[[Category: Williams, G.]]
[[Category: Williams, G.]]
[[Category: 2'-monophosphoadenosine-5'-diphosphate]]
[[Category: 2'-monophosphoadenosine-5'-diphosphate]]
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[[Category: ketopantoate]]
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[[Category: Ketopantoate]]
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[[Category: nadp+ dependent]]
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[[Category: Nadp+ dependent]]
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[[Category: pantothenate pathway]]
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[[Category: Pantothenate pathway]]
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[[Category: secondary alcohol dehydrogenase]]
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[[Category: Secondary alcohol dehydrogenase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 16:35:19 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:16:02 2008''
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Revision as of 13:35, 3 May 2008

Image:1yon.gif

Template:STRUCTURE 1yon

Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate


Overview

The crystal structure of Escherichia coli ketopantoate reductase in complex with 2'-monophosphoadenosine 5'-diphosphoribose, a fragment of NADP+ that lacks the nicotinamide ring, is reported. The ligand is bound at the enzyme active site in the opposite orientation to that observed for NADP+, with the adenine ring occupying the lipophilic nicotinamide pocket. Isothermal titration calorimetry with R31A and N98A mutants of the enzyme is used to show that the unusual ;reversed binding mode' observed in the crystal is triggered by changes in the protonation of binding groups at low pH. This research has important implications for fragment-based approaches to drug design, namely that the crystallization conditions and the chemical modification of ligands can have unexpected effects on the binding modes.

About this Structure

1YON is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study., Ciulli A, Lobley CM, Tuck KL, Smith AG, Blundell TL, Abell C, Acta Crystallogr D Biol Crystallogr. 2007 Feb;63(Pt 2):171-8. Epub 2007, Jan 16. PMID:17242510 Page seeded by OCA on Sat May 3 16:35:19 2008

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