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A Systematic Analysis of the Effect of Small-Molecule Binding on Protein Flexibility of the Ligand-Binding Sites

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journal contribution
posted on 08.09.2005, 00:00 by Chao-Yie Yang, Renxiao Wang, Shaomeng Wang
Using atomic B-factors from high-resolution crystal structures of proteins and protein−ligand complexes, we have studied the effect of small-molecule ligand binding on protein flexibility. For the majority of proteins studied, ligand binding to a protein results in an increase in atomic mobility for some protein atoms at the ligand-binding site, and it leads to an increase in protein flexibility of the entire ligand-binding site in several cases.