Testing geometrical discrimination within an enzyme active site: Constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole

Journal of the American Chemical Society

Volumn 130, Issue 41, 2008, Pages 13696-13708

  Sigala, Paul A ^a   Kraut, Daniel A ^a,c   Caaveiro, Jose M M ^b,d   Pybus, Brandon ^b   Ruben, Eliza A ^a   Ringe, Dagmar ^b   Petsko, Gregory A ^b   Herschlag, Daniel ^a  

^a STANFORD UNIVERSITY   (United States)

^b BRANDEIS UNIVERSITY   (United States)

^c NORTHWESTERN UNIVERSITY   (United States)

^d UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINDING SITES; CATALYSTS; CONSTRAINED OPTIMIZATION; CRYSTALLOGRAPHY; ENZYMES; FUNCTIONAL GROUPS; HYDROGEN; HYDROGEN BONDS; MINERALOGY; PROTEINS; X RAY CRYSTALLOGRAPHY;

ACTIVE SITES; BINDING INTERACTIONS; BINDING SUBSTRATES; DISTANCE SCALES; ENZYME-ACTIVE SITES; HYDROGEN BONDINGS; ISOMERASE; OXYANION HOLE; SITE ENVIRONMENTS; STRUCTURAL REARRANGEMENTS; TRANSITION STATES;

SUBSTRATES;

STEROID DELTA ISOMERASE;

ARTICLE; CATALYSIS; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYME STRUCTURE; ENZYME SUBSTRATE; FLUORINE NUCLEAR MAGNETIC RESONANCE; GEOMETRY; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR STABILITY; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; X RAY CRYSTALLOGRAPHY;

ANIONS; BINDING SITES; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; OXYGEN; PROTEIN BINDING; PROTONS; PSEUDOMONAS PUTIDA; STATIC ELECTRICITY; STEROID ISOMERASES;

EID: 53849096731     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja803928m     Document Type: Article

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