Computational solvent mapping reveals the importance of local conformational changes for broad substrate specificity in mammalian cytochromes P450

Biochemistry

Volumn 45, Issue 31, 2006, Pages 9393-9407

  Clodfelter, Karl H ^a   Waxman, David J ^b   Vajda, Sandor ^c  

^a BOSTON UNIVERSITY   (United States)

^b Boston University   (United States)

^c Boston University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; CRYSTALLIZATION; DRUG INTERACTIONS; ENZYMES; FREE ENERGY; PROTEINS; SUBSTRATES;

COMPUTATIONAL SOLVENT MAPPING; MAMMALIAN CYTOCHROMES P450; ORGANIC MOLECULES; PROTEIN-PROTEIN INTERFACES;

SOLVENTS;

2 PROPANOL; ACETONE; ACETONITRILE; BACTERIAL ENZYME; CYTOCHROME P450; CYTOCHROME P450 101; CYTOCHROME P450 102; CYTOCHROME P450 2B4; CYTOCHROME P450 2C5; CYTOCHROME P450 2C9; DIMETHYL SULFOXIDE; LIGAND; METHANOL; PHENOL; SOLVENT; TERT BUTYL ALCOHOL; UNCLASSIFIED DRUG; UREA; WARFARIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CALCULATION; COMPUTATIONAL SOLVENT MAPPING; CRYSTALLIZATION; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME SPECIFICITY; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; HUMAN; LIGAND BINDING; NONHUMAN; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; STRUCTURE ANALYSIS;

ANIMALS; BACTERIAL PROTEINS; COMPUTATIONAL BIOLOGY; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; LIGANDS; PROTEIN CONFORMATION; SOLVENTS; SUBSTRATE SPECIFICITY;

BACTERIA (MICROORGANISMS); MAMMALIA;

EID: 33747130722     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi060343v     Document Type: Article

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