2z9k

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|PDB= 2z9k |SIZE=350|CAPTION= <scene name='initialview01'>2z9k</scene>, resolution 1.85&Aring;
|PDB= 2z9k |SIZE=350|CAPTION= <scene name='initialview01'>2z9k</scene>, resolution 1.85&Aring;
|SITE=
|SITE=
-
|LIGAND= <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene> and <scene name='pdbligand=DOZ:'>DOZ</scene>
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|LIGAND= <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=DOZ:(DIMETHYLAMINO)(HYDROXY)ZINC&#39;'>DOZ</scene>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
 +
|DOMAIN=
 +
|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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[[Category: Lee, C C.]]
[[Category: Lee, C C.]]
[[Category: Wang, A H.]]
[[Category: Wang, A H.]]
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[[Category: DMS]]
 
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[[Category: DOZ]]
 
[[Category: atp-binding]]
[[Category: atp-binding]]
[[Category: complex]]
[[Category: complex]]
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[[Category: zinc-finger]]
[[Category: zinc-finger]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:53:06 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:19:41 2008''

Revision as of 02:19, 31 March 2008

Image:2z9k.jpg


PDB ID 2z9k

Drag the structure with the mouse to rotate
, resolution 1.85Å
Ligands: ,
Related: 2Z9G, 2Z9J, 2Z9L


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



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

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