title: Structural analysis of diheme cytochrome c by hydrogen-deuterium exchange mass spectrometry and homology modeling.
abstract: A lack of X-ray or nuclear magnetic resonance structures of proteins inhibits their further study and characterization, motivating the development of new ways of analyzing structural information without crystal structures. The combination of hydrogen-deuterium exchange mass spectrometry (HDX-MS) data in conjunction with homology modeling can provide improved structure and mechanistic predictions. Here a unique diheme cytochrome c (DHCC) protein from Heliobacterium modesticaldum is studied with both HDX and homology modeling to bring some definition of the structure of the protein and its role. Specifically, HDX data were used to guide the homology modeling to yield a more functionally relevant structural model of DHCC.
authors.affiliation: Department of Chemistry, Washington University in St. Louis , St. Louis, Missouri 63130, United States.
authors.forename: Ying
authors.initials: Y
authors.lastname: Zhang
authors.forename: Erica L-W
authors.initials: EL
authors.lastname: Majumder
authors.forename: Hai
authors.initials: H
authors.lastname: Yue
authors.forename: Robert E
authors.initials: RE
authors.lastname: Blankenship
authors.forename: Michael L
authors.initials: ML
authors.lastname: Gross
mesh_terms: D000595:Amino Acid Sequence; D001426:Bacterial Proteins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D045304:Cytochromes c / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D041961:Deuterium Exchange Measurement; D013058:Mass Spectrometry / Q000379:methods; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010088:Oxidoreductases / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D010449:Peptide Mapping; D011487:Protein Conformation; D055503:Protein Multimerization; D017433:Protein Structure, Secondary; D011994:Recombinant Proteins / Q000737:chemistry / Q000235:genetics / Q000378:metabolism; D040681:Structural Homology, Protein
chemical_list: D001426:Bacterial Proteins; D011994:Recombinant Proteins; D045304:Cytochromes c; D010088:Oxidoreductases; C090099:diheme cytochrome c