2haw

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{{STRUCTURE_2haw| PDB=2haw | SCENE= }}
{{STRUCTURE_2haw| PDB=2haw | SCENE= }}
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'''Crystal structure of family II Inorganic pyrophosphatase in complex with PNP'''
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===Crystal structure of family II Inorganic pyrophosphatase in complex with PNP===
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==Overview==
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We report the first crystal structures of a family II pyrophosphatase complexed with a substrate analogue, imidodiphosphate (PNP). These provide new insights into the catalytic reaction mechanism of this enzyme family. We were able to capture the substrate complex both by fluoride inhibition and by site-directed mutagenesis providing complementary snapshots of the Michaelis complex. Structures of both the fluoride-inhibited wild type and the H98Q variant of the PNP-Bacillus subtilis pyrophosphatase complex show a unique trinuclear metal center. Each metal ion coordinates a terminal oxygen on the electrophilic phosphate and a lone pair on the putative nucleophile, thus placing it in line with the scissile bond without any coordination by protein. The nucleophile moves further away from the electrophilic phosphorus site, to the opposite side of the trimetal plane, upon binding of substrate. In comparison with earlier product complexes, the side chain of Lys296 has swung in and so three positively charged side chains, His98, Lys205 and Lys296, now surround the bridging nitrogen in PNP. Finally, one of the active sites in the wild-type structure appears to show evidence of substrate distortion. Binding to the enzyme may thus strain the substrate and thus enhance the catalytic rate.
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The line below this paragraph, {{ABSTRACT_PUBMED_17095506}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 17095506 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17095506}}
==About this Structure==
==About this Structure==
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[[Category: Pyrophosphatase]]
[[Category: Pyrophosphatase]]
[[Category: Substrate complex]]
[[Category: Substrate complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:04:14 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 13:49:14 2008''

Revision as of 10:49, 29 July 2008

Image:2haw.png

Template:STRUCTURE 2haw

Crystal structure of family II Inorganic pyrophosphatase in complex with PNP

Template:ABSTRACT PUBMED 17095506

About this Structure

2HAW is a Single protein structure of sequence from Bacillus subtilis. Full crystallographic information is available from OCA.

Reference

A trimetal site and substrate distortion in a family II inorganic pyrophosphatase., Fabrichniy IP, Lehtio L, Tammenkoski M, Zyryanov AB, Oksanen E, Baykov AA, Lahti R, Goldman A, J Biol Chem. 2007 Jan 12;282(2):1422-31. Epub 2006 Nov 8. PMID:17095506

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