EnzymAgglo - Multiskalige modellgestützte Untersuchungen der Formation von katalytisch aktiven Clustern und Agglomeraten großer Multienzymkomplexe

Motivation

• Targeted formation of stable enzyme clusters and agglomerates is of highest interest for the construction of efficient and adjustable bioreaction cascades

• Nowadays no suitable methodology available to predict formation and stability of clusters and agglomerates

• Impact of process parameters – pH, temperature, mechanical stress – on cluster and aggregate formation and functionality yet hardly investigated

Objectives of this project:

• Identify mechanisms and determinants responsible for building functional and efficient agglomerates.

• Develop and validate solid model framework to describe and predict dynamic formation and reformation of multi-enzymatic complex clusters and agglomerates

• Influence of process conditions on formation and catalytic efficiency

Publikationen

• Hezaveh S, Zeng A-P, Jandt U: Human Pyruvate Dehydrogenase Complex E2 and E3BP Core Subunits: New Models and Insights from Molecular Dynamics Simulations. Journal of Physical Chemistry B(120): S. 4399–4409, 2016.
• U. Jandt, S. Hezaveh, S. Ilhan, J. Guo, J. Tatur, G. Fuge: Modellierung und Modifikation von Multienzymkomplexen: Neue Strategien und Prozesse. Tagungsband 18. Heiligenstädter Kolloquium: S. 279-286, 2016. ISBN 978-3-00-054165-0.
• Jin Guo, Samira Hezaveh, Jana Tatur, An-Ping Zeng, Uwe Jandt: Reengineering of human pyruvate dehydrogenase complex: from disintegration to highly active agglomerates. Biochemical Journal, 2016. , DOI: 10.1042/BCJ20160916