2z94

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spinqualitylabelsall models 2z94, resolution 1.78Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

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 with and as ligands. 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):5454-5458. Epub 2007 Nov 5. PMID:17981158

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