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7 Publications visible to you, out of a total of 7
Phosphorylation tunes elongation propensity and cohesiveness of INCENP's intrinsically disordered region.

Abstract (Expand)

The inner centromere protein, INCENP, is crucial for correct chromosome segregation during mitosis. It connects the kinase Aurora B to the inner centromere allowing this kinase to dynamically access … its kinetochore targets. However, the function of its central, 440-residue long intrinsically disordered region (IDR) and its multiple phosphorylation sites is unclear. Here, we determined the conformational ensemble of INCENP's IDR, systematically varying the level of phosphorylation, using all-atom and coarse-grain molecular dynamics simulations. Our simulations show that phosphorylation expands INCENP's IDR, both locally and globally, mainly by increasing its overall net charge. The disordered region undergoes critical globule-to-coil conformational transitions and the transition temperature non-monotonically depends on the degree of phosphorylation, with a mildly phosphorylated case of neutral net charge featuring the highest collapse propensity. The IDR transitions from a multitude of globular states, accompanied by several specific internal contacts that reduce INCENP length by loop formation, to weakly interacting and highly extended coiled conformations. Phosphorylation critically shifts the population between these two regimes. It thereby influences cohesiveness and phase behavior of INCENP IDR assemblies, a feature presumably relevant for INCENP's function in the chromosomal passenger complex. Overall, we propose the disordered region of INCENP to act as a phosphorylation-regulated and length-variable component, within the previously defined "dog-leash" model, that thereby regulates how Aurora B reaches its targets for proper chromosome segregation.

Authors: Isabel M Martin, Camilo Aponte-Santamaría, Lisa Schmidt, Marius Hedtfeld, Adel Iusupov, Andrea Musacchio, Frauke Gräter

Date Published: 15th Jan 2022

Publication Type: Journal

Interpretation of point forecasts with unknown directive

Abstract

Not specified

Authors: Patrick Schmidt, Matthias Katzfuss, Tilmann Gneiting

Date Published: 15th Aug 2021

Publication Type: Journal

Want to track pandemic variants faster? Fix the bioinformatics bottleneck

Abstract

Not specified

Authors: Emma B. Hodcroft, Nicola De Maio, Rob Lanfear, Duncan R. MacCannell, Bui Quang Minh, Heiko A. Schmidt, Alexandros Stamatakis, Nick Goldman, Christophe Dessimoz

Date Published: 4th Mar 2021

Publication Type: Journal

A genetic screen pinpoints ribonucleotide reductase residues that sustain dNTP homeostasis and specifies a highly mutagenic type of dNTP imbalance

Abstract

Not specified

Authors: Tobias T Schmidt, Sushma Sharma, Gloria X Reyes, Kerstin Gries, Maike Gross, Boyu Zhao, Jui-Hung Yuan, Rebecca Wade, Andrei Chabes, Hans Hombauer

Date Published: 10th Jan 2019

Publication Type: Journal

Discussion of “Elicitability and backtesting: Perspectives for banking regulation”

Abstract

Not specified

Author: P. Schmidt

Date Published: 2017

Publication Type: Journal

Entropy-Driven Selectivity for Chain Scission: Where Macromolecules Cleave

Abstract (Expand)

We show that, all other conditions being equal, bond cleavage in the middle of molecules is entropically much more favored than bond cleavage at the end. Multiple experimental and theoretical approaches … have been used to study the selectivity for bond cleavage or dissociation in the middle versus the end of both covalent and supramolecular adducts and the extensive implications for other fields of chemistry including, e.g., chain transfer, polymer degradation, and control agent addition are discussed. The observed effects, which are a consequence of the underlying entropic factors, were predicted on the basis of simple theoretical models and demonstrated via high‐temperature (HT) NMR spectroscopy of self‐assembled supramolecular diblock systems as well as temperature‐dependent size‐exclusion chromatography (TD SEC) of covalently bonded Diels–Alder step‐growth polymers.

Authors: Kai Pahnke, Josef Brandt, Ganna Gryn'ova, Ching Y. Lin, Ozcan Altintas, Friedrich G. Schmidt, Albena Lederer, Michelle L. Coote, Christopher Barner-Kowollik

Date Published: 22nd Jan 2016

Publication Type: Journal

Entropy-Driven Chain Effects on Ligation Chemistry

Abstract (Expand)

We report the investigation of fundamental entropic chain effects that enable the tuning of modular ligation chemistry – for example dynamic Diels–Alder (DA) reactions in materials applications – not … only classically via the chemistry of the applied reaction sites, but also via the physical and steric properties of the molecules that are being joined. Having a substantial impact on the reaction equilibrium of the reversible ligation chemistry, these effects are important when transferring reactions from small molecule studies to larger or other entropically very dissimilar systems. The effects on the DA equilibrium and thus the temperature dependent degree of debonding (%debond) of different cyclopentadienyl (di-)functional poly(meth-)acrylate backbones (poly(methyl methacrylate), poly(iso-butyl methacrylate), poly(tert-butyl methacrylate), poly(iso-butyl acrylate), poly(n-butyl acrylate), poly(tert-butyl acrylate), poly(methyl acrylate) and poly(isobornyl acrylate)), linked via a difunctional cyanodithioester (CDTE) were examined via high temperature (HT) NMR spectroscopy as well as temperature dependent (TD) SEC measurements. A significant impact of not only chain mass and length with a difference in the degree of debonding of up to 30% for different lengths of macromonomers of the same polymer type but – remarkably – as well the chain stiffness with a difference in bonding degrees of nearly 20% for isomeric poly(butyl acrylates) is found. The results were predicted, reproduced and interpreted via quantum chemical calculations, leading to a better understanding of the underlying entropic principles.

Authors: Kai Pahnke, Josef Brandt, Ganna Gryn'ova, Peter Lindner, Ralf Schweins, Friedrich Georg Schmidt, Albena Lederer, Michelle L. Coote, Christopher Barner-Kowollik

Date Published: 2015

Publication Type: Journal

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