QM/MM study of thymidylate synthase: Enzymatic motions and the temperature dependence of the rate limiting step

Journal of Physical Chemistry A

Volumn 113, Issue 10, 2009, Pages 2176-2182

  Kanaan, Natalia ^a   Marti, Sergio ^a   Moliner, Vicent ^a   Kohen, Amnon ^b  

^a UNIVERSITAT JAUME I   (Spain)

^b E11 SSH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITES; ARGININE RESIDUES; CARBON-SULFUR BONDS; COFACTOR; COVALENTLY BOUNDS; CYSTEINE RESIDUES; DEOXYURIDINE; DIHYDROFOLATE; EXPERIMENTAL DATUM; EXPERIMENTAL STUDIES; FREE ENERGY SURFACES; HYDRIDE TRANSFERS; MONOPHOSPHATE; RATE-LIMITING STEPS; REACTION CATALYZED; TEMPERATURE DEPENDENCES; TETRAHYDROFOLATE; THEORETICAL STUDIES; THIOETHER BONDS; THYMIDYLATE SYNTHASE; TRANSITION STATE;

AMINO ACIDS; ESCHERICHIA COLI; FREE ENERGY; MOLECULAR MECHANICS; STEELMAKING; SULFUR;

ENZYMES;

2'-DEOXYURIDYLIC ACID; 5,6,7,8-TETRAHYDROFOLIC ACID; DEOXYURIDINE PHOSPHATE; DIHYDROFOLIC ACID; DRUG DERIVATIVE; FOLIC ACID; TETRAHYDROFOLIC ACID; TETRAHYDROFOLIC ACID DERIVATIVE; THYMIDYLATE SYNTHASE;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; ENERGY TRANSFER; ENZYME SPECIFICITY; ENZYMOLOGY; ESCHERICHIA COLI; METABOLISM; TEMPERATURE; ANALOGS AND DERIVATIVES;

CATALYSIS; DEOXYURACIL NUCLEOTIDES; ENERGY TRANSFER; ESCHERICHIA COLI; FOLIC ACID; MODELS, CHEMICAL; SUBSTRATE SPECIFICITY; TEMPERATURE; TETRAHYDROFOLATES; THYMIDYLATE SYNTHASE;

EID: 63849336904     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810548d     Document Type: Article

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