Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.

Yabukarski, Filip; Biel, Justin T; Pinney, Margaux M; Doukov, Tzanko; Powers, Alexander S; Fraser, James S; Herschlag, Daniel

Yabukarski, Filip; Biel, Justin T; Pinney, Margaux M; Doukov, Tzanko; Powers, Alexander S; Fraser, James S; Herschlag, Daniel.

Afiliação

Yabukarski F; Department of Biochemistry, Stanford University, Stanford, CA 94305; fyabukar@stanford.edu herschla@stanford.edu.
Biel JT; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, CA 94143.
Pinney MM; Department of Biochemistry, Stanford University, Stanford, CA 94305.
Doukov T; Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA 94025.
Powers AS; Department of Chemistry, Stanford University, Stanford, CA 94305.
Fraser JS; Department of Computer Science, Stanford University, Stanford, CA 94305.
Herschlag D; Stanford ChEM-H, Stanford University, Stanford, CA 94305.

Proc Natl Acad Sci U S A ; 117(52): 33204-33215, 2020 12 29.

Article em En | MEDLINE | ID: mdl-33376217

Assuntos

Proteínas de Bactérias/química; Domínio Catalítico; Esteroide Isomerases/química; Proteínas de Bactérias/metabolismo; Cristalografia por Raios X; Cinética; Simulação de Dinâmica Molecular; Pseudomonas putida/enzimologia; Esteroide Isomerases/metabolismo

Palavras-chave

X-ray crystallography; catalytic proposals; conformational ensembles; enzyme catalysis; ketosteroid isomerase

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Esteroide Isomerases / Proteínas de Bactérias / Domínio Catalítico Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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