Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-β-hydroxyethylthiazole kinase: Relevance of the theory of intermolecular interactions

Journal of Molecular Modeling

Volumn 13, Issue 6-7, 2007, Pages 839-849

  Dyguda Kazimierowicz, Edyta ^a   Sokalski, W Andrzej ^a   Leszczyński, Jerzy ^b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b JACKSON STATE UNIVERSITY   (United States)

Author keywords

Catalytic fields; Enzymatic catalysis; Interaction energy; Phosphoryl transfer; Ribokinase likekinases

Indexed keywords

4 METHYL 5 BETA HYDROXYETHYLTHIAZOLE KINASE; ASPARTIC ACID; CYSTEINE; GLUTAMIC ACID; MAGNESIUM ION; PHOSPHOTRANSFERASE; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BACILLUS SUBTILIS; CATALYSIS; CONTROLLED STUDY; ELECTRIC POTENTIAL; ENZYME ACTIVE SITE; ENZYME KINETICS; ENZYME MECHANISM; ENZYME PHOSPHORYLATION; ENZYME RELEASE; ENZYME SUBSTRATE; MOLECULAR INTERACTION; MOLECULAR MODEL; NONHUMAN; PREDICTION; PRIORITY JOURNAL; THEORETICAL STUDY;

AMINO ACID SEQUENCE; AMINO ACID SUBSTITUTION; ASPARTIC ACID; BINDING SITES; CATALYSIS; ELECTROSTATICS; MAGNESIUM; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR SEQUENCE DATA; OXYGEN; PHOSPHORYLATION; PHOSPHOTRANSFERASES (ALCOHOL GROUP ACCEPTOR); PROTEIN STRUCTURE, SECONDARY; SEQUENCE HOMOLOGY, AMINO ACID; SOFTWARE; SUBSTRATE SPECIFICITY; THIAZOLES; WATER;

EID: 34347398645     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0192-9     Document Type: Article

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