Cargando…

SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files

Salt-bridge and network salt-bridge are specific electrostatic interactions that contribute to the overall stability of proteins. In hierarchical protein folding model, these interactions play crucial role in nucleation process. The advent and growth of protein structure database and its availabilit...

Descripción completa

Detalles Bibliográficos
Autores principales: Gupta, Parth Sarthi Sen, Mondal, Sudipta, Mondal, Buddhadev, Islam, Rifat Nawaz Ul, Banerjee, Shyamashree, Bandyopadhyay, Amal K
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3974244/
https://www.ncbi.nlm.nih.gov/pubmed/24748757
http://dx.doi.org/10.6026/97320630010164
_version_ 1782479455945490432
author Gupta, Parth Sarthi Sen
Mondal, Sudipta
Mondal, Buddhadev
Islam, Rifat Nawaz Ul
Banerjee, Shyamashree
Bandyopadhyay, Amal K
author_facet Gupta, Parth Sarthi Sen
Mondal, Sudipta
Mondal, Buddhadev
Islam, Rifat Nawaz Ul
Banerjee, Shyamashree
Bandyopadhyay, Amal K
author_sort Gupta, Parth Sarthi Sen
collection PubMed
description Salt-bridge and network salt-bridge are specific electrostatic interactions that contribute to the overall stability of proteins. In hierarchical protein folding model, these interactions play crucial role in nucleation process. The advent and growth of protein structure database and its availability in public domain made an urgent need for context dependent rapid analysis of salt-bridges. While these analyses on single protein is cumbersome and time-consuming, batch analyses need efficient software for rapid topological scan of a large number of protein for extracting details on (i) fraction of salt-bridge residues (acidic and basic). (ii) Chain specific intra-molecular salt-bridges, (iii) inter-molecular salt-bridges (protein-protein interactions) in all possible binary combinations (iv) network salt-bridges and (v) secondary structure distribution of salt-bridge residues. To the best of our knowledge, such efficient software is not available in public domain. At this juncture, we have developed a program i.e. SBION which can perform all the above mentioned computations for any number of protein with any number of chain at any given distance of ion-pair. It is highly efficient, fast, error-free and user friendly. Finally we would say that our SBION indeed possesses potential for applications in the field of structural and comparative bioinformatics studies. AVAILABILITY: SBION is freely available for non-commercial/academic institutions on formal request to the corresponding author (akbanerjee@biotech.buruniv.ac.in).
format Online
Article
Text
id pubmed-3974244
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher Biomedical Informatics
record_format MEDLINE/PubMed
spelling pubmed-39742442014-04-18 SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files Gupta, Parth Sarthi Sen Mondal, Sudipta Mondal, Buddhadev Islam, Rifat Nawaz Ul Banerjee, Shyamashree Bandyopadhyay, Amal K Bioinformation Software Salt-bridge and network salt-bridge are specific electrostatic interactions that contribute to the overall stability of proteins. In hierarchical protein folding model, these interactions play crucial role in nucleation process. The advent and growth of protein structure database and its availability in public domain made an urgent need for context dependent rapid analysis of salt-bridges. While these analyses on single protein is cumbersome and time-consuming, batch analyses need efficient software for rapid topological scan of a large number of protein for extracting details on (i) fraction of salt-bridge residues (acidic and basic). (ii) Chain specific intra-molecular salt-bridges, (iii) inter-molecular salt-bridges (protein-protein interactions) in all possible binary combinations (iv) network salt-bridges and (v) secondary structure distribution of salt-bridge residues. To the best of our knowledge, such efficient software is not available in public domain. At this juncture, we have developed a program i.e. SBION which can perform all the above mentioned computations for any number of protein with any number of chain at any given distance of ion-pair. It is highly efficient, fast, error-free and user friendly. Finally we would say that our SBION indeed possesses potential for applications in the field of structural and comparative bioinformatics studies. AVAILABILITY: SBION is freely available for non-commercial/academic institutions on formal request to the corresponding author (akbanerjee@biotech.buruniv.ac.in). Biomedical Informatics 2014-03-19 /pmc/articles/PMC3974244/ /pubmed/24748757 http://dx.doi.org/10.6026/97320630010164 Text en © 2014 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited.
spellingShingle Software
Gupta, Parth Sarthi Sen
Mondal, Sudipta
Mondal, Buddhadev
Islam, Rifat Nawaz Ul
Banerjee, Shyamashree
Bandyopadhyay, Amal K
SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files
title SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files
title_full SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files
title_fullStr SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files
title_full_unstemmed SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files
title_short SBION: A Program for Analyses of Salt-Bridges from Multiple Structure Files
title_sort sbion: a program for analyses of salt-bridges from multiple structure files
topic Software
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3974244/
https://www.ncbi.nlm.nih.gov/pubmed/24748757
http://dx.doi.org/10.6026/97320630010164
work_keys_str_mv AT guptaparthsarthisen sbionaprogramforanalysesofsaltbridgesfrommultiplestructurefiles
AT mondalsudipta sbionaprogramforanalysesofsaltbridgesfrommultiplestructurefiles
AT mondalbuddhadev sbionaprogramforanalysesofsaltbridgesfrommultiplestructurefiles
AT islamrifatnawazul sbionaprogramforanalysesofsaltbridgesfrommultiplestructurefiles
AT banerjeeshyamashree sbionaprogramforanalysesofsaltbridgesfrommultiplestructurefiles
AT bandyopadhyayamalk sbionaprogramforanalysesofsaltbridgesfrommultiplestructurefiles