What Is so Special about Arg 55 in the Catalysis of Cyclophilin A? Insights from Hybrid QM/MM Simulations

Journal of the American Chemical Society

Volumn 125, Issue 49, 2003, Pages 15028-15038

  Li, Guohui ^a   Cui, Qiang ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MUTANTS;

CONFORMATIONS; ENZYMES; HYDROGEN BONDS; ISOMERIZATION; SUBSTRATES;

CATALYSIS;

ARGININE; ASPARAGINE; CYCLOPHILIN A;

ARTICLE; CALCULATION; CATALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYME STABILITY; ENZYME STRUCTURE; HYDROGEN BOND; ISOMERISM; PHASE TRANSITION; PROTEIN CONFORMATION; SIMULATION; STRUCTURE ANALYSIS; X RAY CRYSTALLOGRAPHY;

ARGININE; CATALYSIS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; CYCLOPHILIN A; ELECTROSTATICS; GASES; LYSINE; MODELS, MOLECULAR; PROLINE; PROTEIN CONFORMATION; SOLUTIONS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0345529841     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0367851     Document Type: Article

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