Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site

Proceedings of the National Academy of Sciences of the United States of America

Volumn 110, Issue 28, 2013, Pages

  Sigala, Paul A ^a,c   Fafarman, Aaron T ^a,d   Schwans, Jason P ^a,e   Fried, Stephen D ^a   Fenn, Timothy D ^a   Caaveiro, Jose M M ^b,f   Pybus, Brandon ^b,g   Ringe, Dagmar ^b   Petsko, Gregory A ^b   Boxer, Steven G ^a   Herschlag, Daniel ^a  

^a STANFORD UNIVERSITY   (United States)

^b BRANDEIS UNIVERSITY   (United States)

^c WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^d UNIVERSITY OF PENNSYLVANIA   (United States)

^e CALIFORNIA STATE UNIVERSITY   (United States)

^f UNIVERSITY OF TOKYO   (Japan)

^g WALTER REED ARMY INSTITUTE OF RESEARCH   (United States)

Author keywords

Active site environment; Computational modeling; Enzyme catalysis; Protein electrostatics; Protein semisynthesis

Indexed keywords

ANION; PHENOL; STEROID DELTA ISOMERASE; TYROSINE;

ARTICLE; CALCULATION; CONFORMATION; ENERGY; ENZYME ACTIVE SITE; HYDROGEN BOND; INFRARED SPECTROMETRY; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTON TRANSPORT; STATIC ELECTRICITY; THEORY; VIBRATION;

ACTIVE SITE ENVIRONMENT; COMPUTATIONAL MODELING; ENZYME CATALYSIS; PROTEIN ELECTROSTATICS; PROTEIN SEMISYNTHESIS;

CATALYTIC DOMAIN; HYDROGEN BONDING; ION TRANSPORT; KETOSTEROIDS; MODELS, MOLECULAR; PROTONS; PSEUDOMONAS PUTIDA; SPECTROPHOTOMETRY, INFRARED; STEROID ISOMERASES;

EID: 84879908394     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1302191110     Document Type: Article

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