1t1r

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{{STRUCTURE_1t1r| PDB=1t1r | SCENE= }}
{{STRUCTURE_1t1r| PDB=1t1r | SCENE= }}
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'''Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate'''
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===Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate===
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==Overview==
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We have obtained the single-crystal X-ray crystallographic structures of the bisphosphonates [(1-isoquinolinylamino)methylene]-1,1-bisphosphonate and [[(5-chloro-2-pyridinyl)amino]methylene]-1,1-bisphosphonate, bound to the enzyme 1-deoxyxylulose-5-phosphate reductoisomerase (DXR, EC 1.1.1.267, also known as 2-C-methyl-d-erythritol-4-phosphate synthase), an important target for the development of antimalarial drugs. Our results indicate that both bisphosphonates bind into the fosmidomycin binding site. The aromatic groups are in a shallow hydrophobic pocket, and the phosphonate groups are involved in electrostatic interactions with Mg2+ or a cluster of carboxylic acid groups and lysine while the fosmidomycin phosphonate-binding site is occupied by a sulfate ion (as also observed in the DXR/NADP+ structure). The availability of these two new crystal structures opens up the possibility of the further development of bisphosphonates and related systems as DXR inhibitors and, potentially, as antiinfective agents.
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{{ABSTRACT_PUBMED_15339150}}
==About this Structure==
==About this Structure==
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[[Category: Yin, F.]]
[[Category: Yin, F.]]
[[Category: Three domain]]
[[Category: Three domain]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 09:23:55 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 14:49:03 2008''

Revision as of 11:49, 28 July 2008

Image:1t1r.png

Template:STRUCTURE 1t1r

Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate

Template:ABSTRACT PUBMED 15339150

About this Structure

1T1R is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

Crystallographic structures of two bisphosphonate:1-deoxyxylulose-5-phosphate reductoisomerase complexes., Yajima S, Hara K, Sanders JM, Yin F, Ohsawa K, Wiesner J, Jomaa H, Oldfield E, J Am Chem Soc. 2004 Sep 8;126(35):10824-5. PMID:15339150

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