2z94: Difference between revisions
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[[Image:2z94.jpg|left|200px]] | [[Image:2z94.jpg|left|200px]] | ||
'''Complex structure of SARS-CoV 3C-like protease with TDT''' | {{Structure | ||
|PDB= 2z94 |SIZE=350|CAPTION= <scene name='initialview01'>2z94</scene>, resolution 1.78Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=TLD:'>TLD</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''Complex structure of SARS-CoV 3C-like protease with TDT''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2Z94 is a [ | 2Z94 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus Sars coronavirus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Z94 OCA]. | ||
==Reference== | ==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:[http:// | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17981158 17981158] | ||
[[Category: Sars coronavirus]] | [[Category: Sars coronavirus]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: hydrolase]] | [[Category: hydrolase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:53:01 2008'' | ||
Revision as of 16:53, 20 March 2008
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| 2z94, resolution 1.78Å | |||||||||||||
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| Ligands: | ZN and TLD | ||||||||||||
| 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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