1yon

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|PDB= 1yon |SIZE=350|CAPTION= <scene name='initialview01'>1yon</scene>, resolution 1.95&Aring;
|PDB= 1yon |SIZE=350|CAPTION= <scene name='initialview01'>1yon</scene>, resolution 1.95&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=APX:2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE'>APX</scene>
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|LIGAND= <scene name='pdbligand=APX:2&#39;-MONOPHOSPHOADENOSINE-5&#39;-DIPHOSPHORIBOSE'>APX</scene>
|ACTIVITY= [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]
|ACTIVITY= [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]
|GENE= panE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])
|GENE= panE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])
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[[Category: secondary alcohol dehydrogenase]]
[[Category: secondary alcohol dehydrogenase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:25:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 23 14:22:50 2008''

Revision as of 12:22, 23 March 2008

Image:1yon.gif


PDB ID 1yon

Drag the structure with the mouse to rotate
, resolution 1.95Å
Ligands:
Gene: panE (Escherichia coli)
Activity: 2-dehydropantoate 2-reductase, with EC number 1.1.1.169
Coordinates: save as pdb, mmCIF, xml



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

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