Prediction of a Ligand-Binding Niche within a Human Olfactory Receptor by Combining Site-Directed Mutagenesis with Dynamic Homology Modeling

Reprogramming a smell receptor: The ligand‐binding niche within a three‐dimensional model of a human olfactory receptor has been predicted by dynamic homology modeling and confirmed experimentally by functional studies of site‐directed receptor mutants. Even a proposed reprogramming of the receptor&...

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Bibliographic Details
Published in:Angewandte Chemie (International ed.) 2012-01, Vol.51 (5), p.1274-1278
Main Authors: Gelis, Lian, Wolf, Steffen, Hatt, Hanns, Neuhaus, Eva M., Gerwert, Klaus
Format: Article
Language:English
Subjects:
Binding Sites
fragrances
functional characterization
Humans
Ligands
Models, Molecular
molecular dynamics
Molecular Dynamics Simulation
molecular modeling
Mutagenesis, Site-Directed
Protein Binding
receptors
Receptors, Odorant - chemistry
Receptors, Odorant - genetics
Structural Homology, Protein
Structure-Activity Relationship
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Summary:Reprogramming a smell receptor: The ligand‐binding niche within a three‐dimensional model of a human olfactory receptor has been predicted by dynamic homology modeling and confirmed experimentally by functional studies of site‐directed receptor mutants. Even a proposed reprogramming of the receptor's binding and activation properties was experimentally confirmed.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201103980