Journal of Molecular Modeling

, Volume 13, Issue 3, pp 401–409

Ligand specificity of odorant receptors

  • Kamil Khafizov
  • Claudio Anselmi
  • Anna Menini
  • Paolo Carloni
Original Paper

DOI: 10.1007/s00894-006-0160-9

Cite this article as:
Khafizov, K., Anselmi, C., Menini, A. et al. J Mol Model (2007) 13: 401. doi:10.1007/s00894-006-0160-9

Abstract

Odorant receptors belong to class A of the G protein-coupled receptors (GPCRs) and detect a large number of structurally diverse odorant molecules. A recent structural bioinformatic analysis suggests that structural features are conserved across class A of GPCRs in spite of their low sequence identity. Based on this work, we have aligned the sequences of 29 ORs for which ligand binding data are available. Recent site-directed mutagenesis experiments on one such receptor (MOR174-9) provide information that helped to identify nine amino-acid residues involved in ligand binding. Our modeling provides a rationale for amino acids in equivalent positions in most of the odorant receptors considered and helps to identify other amino acids that could be important for ligand binding. Our findings are consistent with most of the previous models and allow predictions for site-directed mutagenesis experiments, which could also validate our model.

Keywords

Olfactory receptors Sequence alignment Odorant binding G protein-coupled receptor Homology modeling 

Abbreviations

OR

odorant receptor

3D

three-dimensional

SI

sequence identity

GPCR

G protein-coupled receptor

TM

transmembrane

Supplementary material

894_2006_160_MOESM1_ESM.pdf (30 kb)
Supplement 1An alignment of OR’s sequences against bovine rhodopsin sequence is available as supplementary material (PDF 30 kb).

Copyright information

© Springer-Verlag 2006

Authors and Affiliations

  • Kamil Khafizov
    • 1
    • 2
    • 3
  • Claudio Anselmi
    • 1
    • 2
    • 3
  • Anna Menini
    • 1
    • 3
  • Paolo Carloni
    • 1
    • 2
    • 3
  1. 1.International School for Advanced StudiesTriesteItaly
  2. 2.INFM-DEMOCRITOS Modelling Centre for Research in Atomistic SimulationTriesteItaly
  3. 3.Italian Institute of TechnologyTriesteItaly

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