Unknown

Dataset Information

0

Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.


ABSTRACT: 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.

SUBMITTER: Lee CC 

PROVIDER: S-EPMC7094272 | biostudies-literature | 2007 Nov

REPOSITORIES: biostudies-literature

altmetric image

Publications

Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.

Lee Cheng-Chung CC   Kuo Chih-Jung CJ   Hsu Min-Feng MF   Liang Po-Huang PH   Fang Jim-Min JM   Shie Jiun-Jie JJ   Wang Andrew H-J AH  

FEBS letters 20071105 28


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 d  ...[more]

Similar Datasets

| S-EPMC8056153 | biostudies-literature
| S-EPMC2658058 | biostudies-literature
| S-EPMC7463875 | biostudies-literature
| S-EPMC7162010 | biostudies-literature
| S-EPMC7079562 | biostudies-literature
| S-EPMC7808739 | biostudies-literature
| S-EPMC3187475 | biostudies-literature
| S-EPMC9942092 | biostudies-literature
| S-EPMC11437433 | biostudies-literature
| S-EPMC7077318 | biostudies-literature