2z94
From Proteopedia
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|PDB= 2z94 |SIZE=350|CAPTION= <scene name='initialview01'>2z94</scene>, resolution 1.78Å | |PDB= 2z94 |SIZE=350|CAPTION= <scene name='initialview01'>2z94</scene>, resolution 1.78Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=TLD:4-METHYLBENZENE-1,2-DITHIOL'>TLD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |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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[[Category: Lee, C C.]] | [[Category: Lee, C C.]] | ||
[[Category: Wang, A H.]] | [[Category: Wang, A H.]] | ||
| - | [[Category: TLD]] | ||
| - | [[Category: ZN]] | ||
[[Category: complex]] | [[Category: complex]] | ||
[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:19:36 2008'' |
Revision as of 02:19, 31 March 2008
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| , resolution 1.78Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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
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