AutoDock Docking Results between mFMO and Indole

Published: 20 September 2023| Version 2 | DOI: 10.17632/zrmhyr5y32.2


AutoDock software was used to mimic the docking between flavin-containing monooxygenase cloned from Methylophaga sp. strain SK1 (mFMO) and indole. The structure of mFMO was from Protein Data Bank (PDB) numbered 2vq7. The results demonstrated that indole is in the catalytic cavity of mFMO and closes to FAD and NADPH.


Steps to reproduce

Using AutoDock software in Linux system, you can set parameters by yourself or run with the .dpf file. The .dlg file contains my running results. You can check the final structure in result-mFMO-indole.pse file.


Hong Kong University of Science and Technology, Huazhong University of Science and Technology


Docking, Enzyme Docking, Molecular Docking