title: Potential for the detection of molecular complexes and determination of interaction geometry by 2DIR: application to protein sciences.
abstract: The ability to detect molecular complexes and determine their geometries is crucial to our understanding of all biological phenomena, including protein structures and functions. We recently demonstrated that a novel 2DIR technique, EVV 2DIR spectroscopy, can be used for this purpose. In this paper, we evaluate the potential utility of the method for the analysis of protein composition, structure and function. In order to do this we apply computational tools to a group of selected biological systems, for which our calculated spectra all showed features that can in principle be detected with existing sensitivities. We also investigate the possibility of using our technique to detect and analyse hydrogen-bonded systems through a tyrosine-water model.
authors.affiliation: Institute of Chemical Biology, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: Rui
authors.initials: R
authors.lastname: Guo
authors.forename: Margherita
authors.initials: M
authors.lastname: Miele
authors.forename: Elizabeth M
authors.initials: EM
authors.lastname: Gardner
authors.forename: Frederic
authors.initials: F
authors.lastname: Fournier
authors.forename: Kathryn M
authors.initials: KM
authors.lastname: Kornau
authors.forename: Ian R
authors.initials: IR
authors.lastname: Gould
authors.forename: David R
authors.initials: DR
authors.lastname: Klug
mesh_terms: D019297:2,4-Dinitrophenol / Q000737:chemistry / Q000378:metabolism; D000217:Acyltransferases / Q000737:chemistry / Q000378:metabolism; D002176:Candida albicans / Q000737:chemistry; D004583:Electrons; D006801:Humans; D006860:Hydrogen Bonding; D007073:Immunoglobulin E / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D057054:Molecular Imaging / Q000379:methods*; D009363:Neoplasm Proteins / Q000737:chemistry / Q000378:metabolism; D011487:Protein Conformation; D051736:Proto-Oncogene Proteins c-mdm2 / Q000737:chemistry / Q000378:metabolism; D013055:Spectrophotometry, Infrared / Q000379:methods*; D013059:Spectrum Analysis, Raman / Q000379:methods*; D016159:Tumor Suppressor Protein p53 / Q000737:chemistry / Q000378:metabolism; D014443:Tyrosine / Q000737:chemistry / Q000378:metabolism; D014732:Vibration; D014867:Water / Q000737:chemistry / Q000378:metabolism
chemical_list: C492718:N-myristoyltransferase inhibitor protein 71, human; D009363:Neoplasm Proteins; D016159:Tumor Suppressor Protein p53; D014867:Water; D007073:Immunoglobulin E; D014443:Tyrosine; D000217:Acyltransferases; C050480:glycylpeptide N-tetradecanoyltransferase; C497206:MDM2 protein, human; D051736:Proto-Oncogene Proteins c-mdm2; D019297:2,4-Dinitrophenol