Hydrogen bonding in the active site of ketosteroid isomerase: Electronic inductive effects and hydrogen bond coupling

Biochemistry

Volumn 49, Issue 48, 2010, Pages 10339-10348

  Hanoian, Philip ^a   Sigala, Paul A ^b,c   Herschlag, Daniel ^b   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b STANFORD UNIVERSITY   (United States)

^c WASHINGTON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; BOND DISTANCE; COMPUTATIONAL STUDIES; ELECTRONIC ABSORPTION; ELECTRONIC ABSORPTION SPECTRA; HYDROGEN BONDING NETWORK; HYDROGEN BONDINGS; INDUCTIVE EFFECTS; ISOMERASES; NMR CHEMICAL SHIFTS; NMR DATA; NONPOLAR ENVIRONMENT; NUCLEAR MAGNETIC RESONANCE CHEMICAL SHIFTS; PROTON DONORS; PROTONATED; QUANTUM MECHANICAL/MOLECULAR MECHANICAL CALCULATIONS; TYROSINE RESIDUES;

ABSORPTION; AMINO ACIDS; CARBOXYLIC ACIDS; CHEMICAL SHIFT; EXPERIMENTS; HYDROGEN; LIGHT ABSORPTION; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTONATION; RESONANCE;

HYDROGEN BONDS;

CARBOXYLIC ACID; PHENOL; PHENYLALANINE; STEROID DELTA ISOMERASE; TYROSINE;

ARTICLE; DENSITY FUNCTIONAL THEORY; ENZYME MECHANISM; ENZYME STRUCTURE; ENZYME SUBSTRATE; HYDROGEN BOND; ISOMERIZATION; PKA; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; PROTON TRANSPORT; QUANTUM MECHANICS;

AMINO ACID SUBSTITUTION; CATALYTIC DOMAIN; COMAMONAS TESTOSTERONI; ELECTRONS; ENZYME INHIBITORS; HYDROGEN BONDING; HYDROXYBENZOIC ACIDS; ISOMERISM; KETOSTEROIDS; MODELS, MOLECULAR; MUTATION; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PROTONS; PSEUDOMONAS PUTIDA; QUANTUM THEORY; STEROID ISOMERASES;

BACTERIA (MICROORGANISMS);

EID: 78650899625     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi101428e     Document Type: Article

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