Identification of Small Molecule Ligand Binding Sites On and In the ARNT PAS-B Domain
X. Xu, J. Closson, L. P. Marcelino, D. C. Favaro, M. L. Silvestrini, R. Solazzo, L. T. Chong, K. H. Gardner
The paper identifies ligand-binding sites on and within the ARNT PAS-B domain using NMR, MD simulations, and ensemble docking, revealing distinct binding modes for three small molecules.
bioRxiv · Nov 3, 2023Biochemistry