Water in the active site of ketosteroid isomerase

Biochemistry

Volumn 50, Issue 31, 2011, Pages 6689-6700

  Hanoian, Philip ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; BOUND LIGANDS; CLASSICAL MOLECULAR DYNAMICS; COMPARATIVE STUDIES; CONFORMATIONAL CHANGE; DYNAMICAL PROPERTIES; ENZYME-CATALYZED REACTIONS; HYDROGEN BONDING INTERACTIONS; HYDROGEN BONDING NETWORK; INTERMEDIATE STATE; ISOMERASES; LIGAND OXYGENS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR DYNAMICS TRAJECTORIES; NMR CHEMICAL SHIFTS; PRESENCE OF WATER; QUANTUM MECHANICAL/MOLECULAR MECHANICAL CALCULATIONS; STEROID SUBSTRATE; WATER MOLECULE; WILD TYPES;

CHEMICAL SHIFT; HYDROGEN; LIGANDS; MOLECULAR DYNAMICS; MOLECULAR MODELING; MOLECULES; REACTION INTERMEDIATES; REACTION KINETICS;

HYDROGEN BONDS;

EQUILENIN; HYDROGEN; OXYGEN; STEROID DELTA ISOMERASE;

ARTICLE; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; CONTROLLED STUDY; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME MECHANISM; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS;

CATALYSIS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; KETOSTEROIDS; MOLECULAR DYNAMICS SIMULATION; MUTAGENESIS, SITE-DIRECTED; PROTEOBACTERIA; PSEUDOMONAS PUTIDA; STEREOISOMERISM; STEROID ISOMERASES; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY; TYROSINE; WATER;

EID: 79961071087     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi200703y     Document Type: Article

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