1yon: Difference between revisions
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|SITE= | |SITE= | ||
|LIGAND= <scene name='pdbligand=APX:2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE'>APX</scene> | |LIGAND= <scene name='pdbligand=APX:2'-MONOPHOSPHOADENOSINE-5'-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= <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> | ||
|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]) | ||
|DOMAIN= | |||
|RELATEDENTRY=[[1ks9|1KS9]], [[1yjq|1YJQ]] | |||
|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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[[Category: Tuck, K L.]] | [[Category: Tuck, K L.]] | ||
[[Category: Williams, G.]] | [[Category: Williams, G.]] | ||
[[Category: 2'-monophosphoadenosine-5'-diphosphate]] | [[Category: 2'-monophosphoadenosine-5'-diphosphate]] | ||
[[Category: ketopantoate]] | [[Category: ketopantoate]] | ||
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[[Category: secondary alcohol dehydrogenase]] | [[Category: secondary alcohol dehydrogenase]] | ||
''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 01:16:02 2008'' | ||
Revision as of 22:16, 30 March 2008
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| 1yon, resolution 1.95Å | |||||||||||||
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| Ligands: | APX | ||||||||||||
| Gene: | panE (Escherichia coli) | ||||||||||||
| Activity: | 2-dehydropantoate 2-reductase, with EC number 1.1.1.169 | ||||||||||||
| Related: | 1KS9, 1YJQ
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| 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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