2z9j

From Proteopedia

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spinqualitylabelsall models PDB ID 2z9j Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image
, resolution 1.95Å
Ligands:	,
Related:	2Z9G, 2Z9K, 2Z9L
Resources:	FirstGlance, OCA, PDBsum, RCSB
Coordinates:	save as pdb, mmCIF, xml

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

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

2Z9J 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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