Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: Phenolates binding to the oxyanion hole of ketosteroid isomerase

Biochemistry

Volumn 46, Issue 6, 2007, Pages 1466-1476

  Warshel, Arieh ^a   Sharma, Pankaz K ^a   Chu, Zhen T ^a   Åqvist, Johan ^b  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATIC EFFECTS; ENZYME CATALYSIS; TRANSITION STATE; TRANSITION STATE ANALOGUES (TSA);

BINDING ENERGY; CATALYSIS; CHARGE TRANSFER; COMPUTER SIMULATION; THERMODYNAMICS;

ENZYME KINETICS;

ANION; LIGAND; PHENOL DERIVATIVE; PHENOLATE; STEROID DELTA ISOMERASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPUTER SIMULATION; CONTROLLED STUDY; ELECTRICITY; ELECTRON TRANSPORT; ENZYME ACTIVE SITE; ENZYME ANALYSIS; ENZYME BINDING; ENZYME DEGRADATION; ENZYME KINETICS; ENZYME SUBSTRATE; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; THERMODYNAMICS;

AMINO ACID SEQUENCE; ANIONS; BINDING SITES; CATALYSIS; COMPUTER SIMULATION; ELECTROSTATICS; HYDROGEN BONDING; HYDROXYBENZOIC ACIDS; PHENOLS; STEROID ISOMERASES; THERMODYNAMICS;

EID: 33847006589     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi061752u     Document Type: Article

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