2z9k

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[[Image:2z9k.jpg|left|200px]]
[[Image:2z9k.jpg|left|200px]]
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{{Structure
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|PDB= 2z9k |SIZE=350|CAPTION= <scene name='initialview01'>2z9k</scene>, resolution 1.85&Aring;
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The line below this paragraph, containing "STRUCTURE_2z9k", creates the "Structure Box" on the page.
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|SITE=
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|LIGAND= <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=DOZ:(DIMETHYLAMINO)(HYDROXY)ZINC&#39;'>DOZ</scene>
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{{STRUCTURE_2z9k| PDB=2z9k | SCENE= }}
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|RELATEDENTRY=[[2z9g|2Z9G]], [[2z9j|2Z9J]], [[2z9l|2Z9L]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2z9k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2z9k OCA], [http://www.ebi.ac.uk/pdbsum/2z9k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2z9k RCSB]</span>
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'''Complex structure of SARS-CoV 3C-like protease with JMF1600'''
'''Complex structure of SARS-CoV 3C-like protease with JMF1600'''
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[[Category: Lee, C C.]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 20:04:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:19:41 2008''
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Revision as of 17:04, 4 May 2008

Image:2z9k.jpg

Template:STRUCTURE 2z9k

Complex structure of SARS-CoV 3C-like protease with JMF1600


Overview

Five active metal-conjugated inhibitors (PMA, TDT, EPDTC, JMF1586 and JMF1600) bound with the 3C-like protease of severe acute respiratory syndrome (SARS)-associated coronavirus were analyzed crystallographically. The complex structures reveal two major inhibition modes: Hg(2+)-PMA is coordinated to C(44), M(49) and Y(54) with a square planar geometry at the S3 pocket, whereas each Zn(2+) of the four zinc-inhibitors is tetrahedrally coordinated to the H(41)-C(145) catalytic dyad. For anti-SARS drug design, this Zn(2+)-centered coordination pattern would serve as a starting platform for inhibitor optimization.

About this Structure

2Z9K is a Single protein structure of sequence from Sars coronavirus. Full crystallographic information is available from OCA.

Reference

Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors., Lee CC, Kuo CJ, Hsu MF, Liang PH, Fang JM, Shie JJ, Wang AH, FEBS Lett. 2007 Nov 27;581(28):5454-8. Epub 2007 Nov 5. PMID:17981158 Page seeded by OCA on Sun May 4 20:04:03 2008

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OCA

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