Interaction energy analysis on specific binding of influenza virus hemagglutinin to avian and human sialosaccharide receptors: Importance of mutation-induced structural change

Journal of Molecular Graphics and Modelling

Volumn 53, Issue , 2014, Pages 48-58

  Anzaki, Satoshi ^a   Watanabe, Chiduru ^b   Fukuzawa, Kaori ^b,c   Mochizuki, Yuji ^b,d   Tanaka, Shigenori ^a  

^a KOBE UNIVERSITY   (Japan)

^b INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^c MIZUHO INFORMATION AND RESEARCH INSTITUTE   (Japan)

^d RIKKYO UNIVERSITY   (Japan)

Author keywords

Fragment molecular orbital (FMO) method; Hemagglutinin (HA); Influenza; Mutation; Receptor binding

Indexed keywords

AMINO ACIDS; BINDING ENERGY; ENERGY MANAGEMENT; MOLECULAR ORBITALS; ORBITAL CALCULATIONS; PROTEINS;

FRAGMENT MOLECULAR ORBITAL METHODS; HEMAGGLUTININ (HA); INFLUENZA; MUTATION; RECEPTOR BINDING;

VIRUSES;

AMINO ACID; CARBOHYDRATE; GALACTOSE; INFLUENZA VIRUS HEMAGGLUTININ; N ACETYLGLUCOSAMINE; SIALIC ACID; SIALOSACCHARIDE RECEPTOR; TRANSCRIPTION FACTOR; TRANSCRIPTION FACTOR GAL2; TRANSCRIPTION FACTOR GAL4; UNCLASSIFIED DRUG; AVIAN PROTEIN; PROTEIN BINDING; VIRUS RECEPTOR;

AMINO ACID SEQUENCE; ANIMAL CELL; ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DISEASE TRANSMISSION; GENE STRUCTURE; HOST CELL; HUMAN; HUMAN CELL; HYDROGEN BOND; INDUCED MUTATION; INFLUENZA VIRUS A H7N3; INFLUENZA VIRUS A H7N7; INFLUENZA VIRUS A H7N9; MOLECULAR RECOGNITION; NONHUMAN; PANDEMIC INFLUENZA; POINT MUTATION; PRIORITY JOURNAL; QUANTUM CHEMISTRY; RECEPTOR BINDING; SEQUENCE ALIGNMENT; STATIC ELECTRICITY; VIRUS CELL INTERACTION; VIRUS HEMAGGLUTINATION; VIRUS MUTATION; BINDING SITE; CHEMICAL PHENOMENA; CHEMISTRY; GENETICS; MISSENSE MUTATION; MOLECULAR GENETICS; PROTEIN SECONDARY STRUCTURE; PROTEIN TERTIARY STRUCTURE; THERMODYNAMICS;

AMINO ACID SEQUENCE; AVIAN PROTEINS; BINDING SITES; HEMAGGLUTININ GLYCOPROTEINS, INFLUENZA VIRUS; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INFLUENZA A VIRUS, H7N3 SUBTYPE; INFLUENZA A VIRUS, H7N9 SUBTYPE; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MUTATION, MISSENSE; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; RECEPTORS, VIRUS; THERMODYNAMICS;

EID: 84905169014     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2014.07.004     Document Type: Article

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