A proton-shuttle reaction mechanism for histone deacetylase 8 and the catalytic role of metal ions

Journal of the American Chemical Society

Volumn 132, Issue 27, 2010, Pages 9471-9479

  Wu, Ruibo ^a,b   Wang, Shenglong ^a   Zhou, Nengjie ^a   Cao, Zexing ^b   Zhang, Yingkai ^a  

^a NEW YORK UNIVERSITY   (United States)

^b XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ACID BASE; AMIDE BOND; ANTITUMOR DRUGS; BORN-OPPENHEIMER; BOUND WATER MOLECULES; CATALYTIC MECHANISMS; CATALYTIC PROCESS; CATALYTIC ROLE; CHROMATIN STRUCTURE; CLASS I; COORDINATION MODES; DEACETYLATION; ENZYME REACTION; GENERAL BASE; HISTONE DEACETYLASES; INITIAL RATE; ION CHANGE; MOLECULAR DYNAMICS SIMULATIONS; NITROGEN ATOM; NUCLEOPHILIC ATTACK; RATE DETERMINING STEP; REACTION BARRIERS; REACTION MECHANISM; STATE-OF-THE-ART APPROACH; SUBSTRATE BINDING; TRANSITION STATE STABILIZATION; TRANSITION STATE STRUCTURE; UMBRELLA SAMPLING; ZINC IONS;

ACETYLATION; AMIDES; ENERGY CONSERVATION; ENZYMES; GENE EXPRESSION; GENE EXPRESSION REGULATION; METAL IONS; MOLECULAR DYNAMICS; PERSONAL COMPUTERS; PROTONS; REACTION KINETICS;

ZINC;

AMIDE; HISTONE DEACETYLASE 8; METAL ION; NITROGEN; POTASSIUM ION; PROTON; ZINC; ZINC ION; HDAC8 PROTEIN, HUMAN; HISTONE DEACETYLASE; METAL; POTASSIUM; REPRESSOR PROTEIN;

AB INITIO CALCULATION; ACID BASE BALANCE; ARTICLE; ATOM; BINDING COMPETITION; CATALYSIS; CHEMICAL BOND; CHEMICAL REACTION; CHROMATIN STRUCTURE; DEACETYLATION; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME STRUCTURE; ENZYME SUBSTRATE; GENE EXPRESSION; MICHAELIS CONSTANT; MOLECULAR DYNAMICS; NUCLEOPHILICITY; PROTON TRANSPORT; REGULATORY MECHANISM; SIMULATION; STRUCTURE ANALYSIS; CHEMISTRY; ENZYME SPECIFICITY; HUMAN;

CATALYSIS; HISTONE DEACETYLASES; HUMANS; METALS; POTASSIUM; PROTONS; REPRESSOR PROTEINS; SUBSTRATE SPECIFICITY; ZINC;

EID: 77955808765     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja103932d     Document Type: Article

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