Toward understanding the inactivation mechanism of monooxygenase P450 BM-3 by organic cosolvents: A molecular dynamics simulation study

Biopolymers

Volumn 83, Issue 5, 2006, Pages 467-476

  Roccatano, Danilo ^a   Tuck, Seng Wong ^a   Schwaneberg, Ulrich ^a   Zacharias, Martin ^a  

^a JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

CYP102; Cytochrome P450 monooxygenase; Local DMSO concentration; Preferential solvation

Indexed keywords

BIOCHEMICAL ENGINEERING; CATALYST ACTIVITY; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; STEREOCHEMISTRY;

CYTOCHROME P450 MONOOXYGENASE; LOCAL DMSO CONCENTRATION; PREFERENTIAL SOLVATION;

ENZYME KINETICS;

CYTOCHROME P450; CYTOCHROME P450 BM 3; DIMETHYL SULFOXIDE; HEME; IRON; MUTANT PROTEIN; ORGANIC SOLVENT; UNCLASSIFIED DRUG; UNSPECIFIC MONOOXYGENASE;

ARTICLE; BACILLUS MEGATERIUM; CATALYSIS; ENZYME INACTIVATION; ENZYME SPECIFICITY; MOLECULAR DYNAMICS; PROTEIN ENGINEERING; PROTEIN INTERACTION; PROTEIN STRUCTURE; SIMULATION; STRUCTURE ANALYSIS; SUBSTITUTION REACTION;

BACILLUS MEGATERIUM; BACTERIAL PROTEINS; BINDING SITES; COMPUTER SIMULATION; CYTOCHROME P-450 ENZYME SYSTEM; DIMETHYL SULFOXIDE; MIXED FUNCTION OXYGENASES; MODELS, MOLECULAR; MUTATION; ORGANIC CHEMICALS; PROTEIN CONFORMATION; PROTEIN ENGINEERING; SOLVENTS; WATER;

BACILLUS MEGATERIUM;

EID: 33845219786     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.20577     Document Type: Article

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