1t1s

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[[Image:1t1s.jpg|left|200px]]
[[Image:1t1s.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1t1s |SIZE=350|CAPTION= <scene name='initialview01'>1t1s</scene>, resolution 2.4&Aring;
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The line below this paragraph, containing "STRUCTURE_1t1s", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CBQ:[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC+ACID'>CBQ</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= IspC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])
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-->
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|DOMAIN=
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{{STRUCTURE_1t1s| PDB=1t1s | SCENE= }}
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|RELATEDENTRY=[[1jvs|1JVS]], [[1t1r|1T1R]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1t1s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1t1s OCA], [http://www.ebi.ac.uk/pdbsum/1t1s PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1t1s RCSB]</span>
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'''Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate'''
'''Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate'''
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[[Category: Yajima, S.]]
[[Category: Yajima, S.]]
[[Category: Yin, F.]]
[[Category: Yin, F.]]
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[[Category: three domain]]
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[[Category: Three domain]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 09:23:57 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:50:03 2008''
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Revision as of 06:23, 3 May 2008

Image:1t1s.jpg

Template:STRUCTURE 1t1s

Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate


Overview

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.

About this Structure

1T1S 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 Page seeded by OCA on Sat May 3 09:23:57 2008

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