MeCOM is a versatile tool for metalloenzyme active site comparison, which is based on the pharmacophore and α-carbon patterns. It can automatically recognize the active site of the given metalloenzyme, extract active site features, and superimpose metalloenzymes. This tool can be used to find important information to develop new specific metalloenzyme inhibitors, and it will be also useful for protein function prediction, drug repurposing, inhibitor selectivity investigation, and so on.
MeCOM is written in C/C++ and can be run in Linux, Windows and Mac. An additional PyMOL Plug-in is provided for graphic display. Details please see MeCOM Manual.
Please click to download MeCOM.zip file.
MeCOM is free for academic use, and please send user information (including PI name, institution, contact email, etc.) to email@example.com to obtain password to unzip the password-protected ZIP files.
We sincerely are open to receiving support and advice from academic and industrial communities to improve MeCOM's usefulness, please email us: firstname.lastname@example.org.
When using MeCOM, we kindly ask you to cite the article:
Li, G.; Dai, Q.-Q.; Li, G.-B*. MeCOM: A Method for Comparing Three-Dimensional Metalloenzyme Active Sites. J. Chem. Inf. Model. 2022, 62, 730-739. doi.org/10.1021/acs.jcim.1c01335.
*To whom correspondence should be addressed.