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1pe1

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[[Image:1pe1.gif|left|200px]]
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{{STRUCTURE_1pe1| PDB=1pe1 | SCENE= }}
{{STRUCTURE_1pe1| PDB=1pe1 | SCENE= }}
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'''Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA'''
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===Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA===
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==Overview==
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3-Deoxy-D-manno-octulosonate 8-phosphate (KDO8P) is the phosphorylated precursor of KDO, an essential sugar of the lipopolysaccharide of Gram negative bacteria. KDO8P is produced by a specific synthase (KDO8PS) by condensing arabinose 5-phosphate (A5P) and phosphoenolpyruvate (PEP), with release of inorganic phosphate. As KDO8PS is present in bacteria and plants, but not in mammalian cells, and mutations that inactivate KDO8PS also block cell replication, KDO8PS is a promising target for the design of new antimicrobials that act by blocking lipopolysaccharide biosynthesis. Previous studies have shown that a compound mimicking an intermediate of the condensation reaction is a good ligand and a powerful inhibitor. Here we report on the crystallographic investigation of the binding to KDO8PS of new derivatives of this original inhibitor. The structures of the enzyme in complex with these compounds, and also with the PEP analogs, 2-phosphoglyceric acid (2-PGA) and Z-methyl-PEP, point to future strategies for the design of novel inhibitors of KDO8PS.
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(as it appears on PubMed at http://www.pubmed.gov), where 14675946 is the PubMed ID number.
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{{ABSTRACT_PUBMED_14675946}}
==About this Structure==
==About this Structure==
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[[Category: Woodard, R W.]]
[[Category: Woodard, R W.]]
[[Category: Xu, X.]]
[[Category: Xu, X.]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 04:58:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 08:57:30 2008''

Revision as of 05:57, 29 July 2008

Image:1pe1.png

Template:STRUCTURE 1pe1

Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA

Template:ABSTRACT PUBMED 14675946

About this Structure

1PE1 is a Single protein structure of sequence from Aquifex aeolicus. Full crystallographic information is available from OCA.

Reference

Structure-based design of novel inhibitors of 3-deoxy-D-manno-octulosonate 8-phosphate synthase., Xu X, Wang J, Grison C, Petek S, Coutrot P, Birck MR, Woodard RW, Gatti DL, Drug Des Discov. 2003;18(2-3):91-9. PMID:14675946

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