1yon: Difference between revisions
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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]] | ||
[[Category: | [[Category: Ketopantoate]] | ||
[[Category: | [[Category: Nadp+ dependent]] | ||
[[Category: | [[Category: Pantothenate pathway]] | ||
[[Category: | [[Category: Secondary alcohol dehydrogenase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 16:35:19 2008'' | |||
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Revision as of 13:35, 3 May 2008
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
