Quantum-Chemical and Combined Quantum-Chemical/Molecular-Mechanical Studies on the Stabilization of a Twin Arginine Pair in Adenovirus Ad11

被引：19

作者：

Sumowski, Chris Vanessa ^{[1
]}

Schmitt, Benedikt B. T. ^{[1
]}

Schweizer, Sabine ^{[1
]}

Ochsenfeld, Christian ^{[1
]}

机构：

[1] Univ Munich LMU, Dept Chem, Chair Theoret Chem, D-81377 Munich, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 51期

关键词：

ab initio calculations; hydrogen bonds; protonation; twin arginine pairs; virus-cell interactions; CYTOCHROME-C-OXIDASE; GUANIDINIUM ION-PAIR; CELLULAR RECEPTOR; B ADENOVIRUSES; HARTREE-FOCK; SIDE-CHAINS; MEAN FORCE; BASIS-SETS; CD46; PROTEINS;

D O I：

10.1002/anie.201004022

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Arginine stacking: The stability of a doubly charged twin arginine pair that is crucial for the binding of an adenovirus to its preferred cellular receptor has been analyzed by quantum-chemical calculations. Both electrostatic effects and a complex network of hydrogen bonds within the microenvironment of the arginine pair stabilize this arrangement (see picture). Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：9951 / 9955

页数：5

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