ASBAAC：自动盐桥与芳香-芳香计算器。

ASBAAC: Automated Salt-Bridge and Aromatic-Aromatic Calculator.

作者信息

Roy Chittran, Datta Saumen

机构信息

Structural Biology and Bioinformatics Division, Council of Scientific and Industrial Research - Indian Institute of Chemical Biology, 4 Raja SC Mullick Road, Jadavpur, Kolkata-700032, West Bengal, India.

出版信息

Bioinformation. 2018 Apr 30;14(4):164-166. doi: 10.6026/97320630014164. eCollection 2018.

DOI:10.6026/97320630014164

PMID:29983486

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6016756/

Abstract

UNLABELLED

Biological systems are made of complex networks non-covalent interactions observed among protein-protein, protein-DNA, proteinlipid complexes using hydrogen-bonds, salt-bridges, aromatic-aromatic, van der Waals (vdW), hydrophobic-interactions and several others using distance criteria. Hence, large-scale data analysis is required to understand the principles of biological complex formation. Therefore, it is of interest to analyze non-covalent interaction namely, salt-bridge and aromatic-aromatic contacts in known and modeled protein complex structures. Here, we describe ASBAAC for automatic calculation of salt-bridges and aromatic-aromatic contacts in protein complexes. This software tool is fast, robust and user-friendly for large-scale analysis of inter-chain salt bridges and aromatic-aromatic contact in protein complexes.

AVAILABILITY

ASBAAC is available for free at http://sourceforge.net/projects/asbaac.

摘要

未标注

生物系统由复杂网络构成，这些网络通过氢键、盐桥、芳香-芳香相互作用、范德华力（vdW）、疏水相互作用以及其他一些基于距离标准的非共价相互作用在蛋白质-蛋白质、蛋白质-DNA、蛋白质-脂质复合物中被观察到。因此，需要进行大规模数据分析来理解生物复合物形成的原理。所以，分析已知和建模的蛋白质复合物结构中的非共价相互作用，即盐桥和芳香-芳香接触，是很有意义的。在这里，我们描述了用于自动计算蛋白质复合物中盐桥和芳香-芳香接触的ASBAAC。这个软件工具对于大规模分析蛋白质复合物中的链间盐桥和芳香-芳香接触来说快速、稳健且用户友好。