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