TY - JOUR
T1 - Ligands turning around in the midst of protein conformers
T2 - The origin of ligand-protein mating. A NMR view
AU - Pertinhez, T. A.
AU - Spisni, A.
PY - 2011
Y1 - 2011
N2 - Protein-ligand binding is a puzzling process. Many theories have been devised since the pioneering key-andlock hypothesis based on the idea that both the protein and the ligand have a rigid single conformation. Indeed, molecular motion is the essence of the universe. Consequently, not only proteins are characterized by an extraordinary conformational freedom, but ligands too can fluctuate in a rather vast conformational space. In this scenario, the quest to understand how do they match is fascinating. Recognizing that the inherent dynamics of molecules is the key factor controlling the success of binding and, subsequently, of their chemical/biological function, here we present a view of this process from the NMR stand point. A description of the most relevant NMR parameters that can provide insights, at atomic level, on the mechanisms of protein- ligand binding is provided in the final section.
AB - Protein-ligand binding is a puzzling process. Many theories have been devised since the pioneering key-andlock hypothesis based on the idea that both the protein and the ligand have a rigid single conformation. Indeed, molecular motion is the essence of the universe. Consequently, not only proteins are characterized by an extraordinary conformational freedom, but ligands too can fluctuate in a rather vast conformational space. In this scenario, the quest to understand how do they match is fascinating. Recognizing that the inherent dynamics of molecules is the key factor controlling the success of binding and, subsequently, of their chemical/biological function, here we present a view of this process from the NMR stand point. A description of the most relevant NMR parameters that can provide insights, at atomic level, on the mechanisms of protein- ligand binding is provided in the final section.
KW - Bound/unbound states
KW - Conformation
KW - Flexibility
KW - Ligand binding
KW - NMR
KW - Protein
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M3 - Article
C2 - 20939791
AN - SCOPUS:78649881988
VL - 11
SP - 158
EP - 170
JO - Current Topics in Medicinal Chemistry
JF - Current Topics in Medicinal Chemistry
SN - 1568-0266
IS - 2
ER -