منابع مشابه
Anatomy of hot spots in protein interfaces.
Binding of one protein to another is involved in nearly all biological functions, yet the principles governing the interaction of proteins are not fully understood. To analyze the contributions of individual amino acid residues in protein-protein binding we have compiled a database of 2325 alanine mutants for which the change in free energy of binding upon mutation to alanine has been measured ...
متن کاملStructural conservation of druggable hot spots in protein-protein interfaces.
Despite the growing number of examples of small-molecule inhibitors that disrupt protein-protein interactions (PPIs), the origin of druggability of such targets is poorly understood. To identify druggable sites in protein-protein interfaces we combine computational solvent mapping, which explores the protein surface using a variety of small "probe" molecules, with a conformer generator to accou...
متن کاملPredicting Protein Interaction Sites: Binding Hot-Spots in Protein-Protein and Protein-Ligand interfaces Running Header: Binding Hot-Spots in Protein Interfaces
MOTIVATION: Protein assemblies are currently poorly represented in structural databases and their structural elucidation is a key goal in biology. Here we analyse clefts in protein surfaces, likely to correspond to binding “hot-spots”, and rank them according to sequence conservation and simple measures of physical properties including hydrophobicity, desolvation, electrostatics and van der Waa...
متن کاملHotSprint: database of computational hot spots in protein interfaces
We present a new database of computational hot spots in protein interfaces: HotSprint. Hot spots are residues comprising only a small fraction of interfaces yet accounting for the majority of the binding energy. HotSprint contains data for 35 776 protein interfaces among 49 512 protein interfaces extracted from the multi-chain structures in Protein Data Bank (PDB) as of February 2006. The conse...
متن کاملRelationship between Hot Spot Residues and Ligand Binding Hot Spots in Protein-Protein Interfaces
In the context of protein-protein interactions, the term "hot spot" refers to a residue or cluster of residues that makes a major contribution to the binding free energy, as determined by alanine scanning mutagenesis. In contrast, in pharmaceutical research, a hot spot is a site on a target protein that has high propensity for ligand binding and hence is potentially important for drug discovery...
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ژورنال
عنوان ژورنال: Materials Today
سال: 2011
ISSN: 1369-7021
DOI: 10.1016/s1369-7021(11)70167-5