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2z94

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[[Image:2z94.jpg|left|200px]]
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{{Structure
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|LIGAND= <scene name='pdbligand=TLD:4-METHYLBENZENE-1,2-DITHIOL'>TLD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2z94 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2z94 OCA], [http://www.ebi.ac.uk/pdbsum/2z94 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2z94 RCSB]</span>
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'''Complex structure of SARS-CoV 3C-like protease with TDT'''
'''Complex structure of SARS-CoV 3C-like protease with TDT'''
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[[Category: Lee, C C.]]
[[Category: Lee, C C.]]
[[Category: Wang, A H.]]
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[[Category: hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 20:03:25 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:19:36 2008''
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Revision as of 17:03, 4 May 2008

Image:2z94.jpg

Template:STRUCTURE 2z94

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


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

2Z94 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 20:03:25 2008

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OCA

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