title: A systematic analysis of the effect of small-molecule binding on protein flexibility of the ligand-binding sites.
abstract: 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.
authors.affiliation: Department of Internal Medicine, University of Michigan, 1500 E. Medical Center Drive, Ann Arbor, Michigan 48109, USA.
authors.forename: Chao-Yie
authors.initials: CY
authors.lastname: Yang
authors.forename: Renxiao
authors.initials: R
authors.lastname: Wang
authors.forename: Shaomeng
authors.initials: S
authors.lastname: Wang
mesh_terms: D001665:Binding Sites; D008024:Ligands; D008958:Models, Molecular; D018583:Pliability; D011485:Protein Binding; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D008024:Ligands; D011506:Proteins