Finding a needle in the haystack: Computational modeling of Mg2+ binding in the active site of protein farnesyltransferase

Biochemistry

Volumn 49, Issue 44, 2010, Pages 9658-9666

  Yang, Yue ^a   Chakravorty, Dhruva K ^a   Merz, Kenneth M ^a  

^a University of Florida ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; BINDING MOTIF; BOUND WATERS; COMPUTATIONAL MODELING; CONFORMATIONAL CHANGE; CONFORMATIONAL TRANSITIONS; COORDINATION COMPLEX; CYSTEINE RESIDUES; ENERGY PROFILE; EQUILIBRIUM DISTANCES; FARNESYL DIPHOSPHATE; FARNESYLATION; HYDROGEN-BONDING PATTERNS; ION BINDING; MAGNESIUM IONS; MOLECULAR DYNAMICS SIMULATIONS; OCTAHEDRAL COORDINATION; OXYGEN ATOM; PROTEIN FARNESYLTRANSFERASE; SALT BRIDGES; SIGNAL TRANSDUCTION PATHWAYS; STRUCTURAL CHARACTERISTICS; TARGET PROTEINS; WATER MOLECULE; WILD TYPES;

AMINO ACIDS; ATOMS; BINDING SITES; BIOCHEMISTRY; CATALYSIS; CONFORMATIONS; COORDINATION REACTIONS; HYDROGEN; HYDROGEN BONDS; MAGNESIUM; METAL IONS; MOLECULAR DYNAMICS; MOLECULES; OXYGEN; PHOSPHATES; PROTEINS; REACTION KINETICS; SIGNAL TRANSDUCTION; SPHERES; ZINC;

BINDING ENERGY;

FARNESYL DIPHOSPHATE; MAGNESIUM ION; OXYGEN; PROTEIN FARNESYLTRANSFERASE; WATER;

ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; ENZYME STRUCTURE; HYDROGEN BOND; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; SIGNAL TRANSDUCTION; WILD TYPE;

ANIMALS; BINDING SITES; CATALYTIC DOMAIN; FARNESYLTRANSTRANSFERASE; MAGNESIUM; MOLECULAR DYNAMICS SIMULATION; MUTATION; RATS;

EID: 78149316579     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi1008358     Document Type: Article

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