An algorithm to find similar internal sequence repeats

In recent years, identification of sequence patterns has been given immense importance to understand better their significance with respect to genomic organization and evolutionary processes. To this end, an algorithm has been derived to identify all similar sequence repeats present in a protein sequence. The proposed algorithm is useful to correlate the three-dimensional structure of various similar sequence repeats available in the Protein Data Bank against the same sequence repeats present in other databases like SWISS-PROT, PIR and Genome databases

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Proteins containing amino acid repeats are considered to be of great importance in evolutionary studies. The principal mechanism of formation of amino acid repeats is by the duplication or recombination of genes. Thus, repeats are found in both nucleotide and protein sequences. In proteins, repeats are involved in protein-protein interactions as well as in binding to other ligands such as DNA and RNA. The study of internal sequence repeats would be helpful to scientists in various fields, including structural biology, enzymology, phylogenetics, genomics and proteomics. Hence an algorithm (Finding All Internal Repeats, FAIR) has been designed utilizing the concepts of dynamic programing to identify the repeats. The proposed algorithm is a faster and more efficient method to detect internal sequence repeats in both protein and nucleotide sequences, than those found in the literature. The algorithm has been implemented in $C^{++}$ and a web-based computing engine, IdentSeek, has been developed to make FAIR accessible to the scientific community. IdentSeek produces a clear, detailed result (including the location of the repeat in the sequence and its length), which can be accessed through the world wide web at the URL http://bioserver1.physics.iisc.ernet.in/ident/

PanGeT: Pan-genomics tool

A decade after the concept of Pan-genome was first introduced; research in this field has spread its tentacles to areas such as pathogenesis of diseases, bacterial evolutionary studies and drug resistance. Gene content-based differentiation of virulent and a virulent strains of bacteria and identification of pathogen specific genes is imperative to understand their physiology and gain insights into the mechanism of genome evolution. Subsequently, this will aid in identifying diagnostic targets and in developing and selecting vaccines. The root of pan-genomic studies, however, is to identify the core genes, dispensable genes and strain specific genes across the genomes belonging to a clade. To this end, we have developed a tool, ``PanGeT - Pan-genomics Tool'' to compute the `pan-genome' based on comparisons at the genome as well as the proteome levels. This automated tool is implemented using LaTeX libraries for effective visualization of overall pan-genome through graphical plots. Links to retrieve sequence information and functional annotations have also been provided. PanGeT can be downloaded from http://pranag.physics.iisc.ernetin/PanGeT/ or https://github.com/PanGeTvl/PanGeT. (C) 2016 Elsevier B.V. All rights reserved

Role of water molecules and ion pairs in Dps and related ferritin-like structures

A comparative study of water molecules and ion pairs in 11 Dps protein structures has been carried out. The invariant and common water molecules, the conserved residues interacting with them and the conserved ion pairs have been analyzed. Certain water molecules found on the interfaces between subunits are highly conserved and may be implicated in flexibility or continuing association of the subunits of the structure. It is possible that the water molecules, ion pairs and the special case of a water mediated charged network through a single water molecule are involved in maintaining the stability of the protein

NIMS: a database on nucleobase compounds and their interactions in macromolecular structures

The intense exploration of nucleotide-binding protein structures has created a whirlwind in the field of structural biology and bioinformatics. This has led to the conception and birth of NIMS. This database is a collection of detailed data on the nucleobases, nucleosides and nucleotides, along with their analogues as well as the protein structures to which they bind. Interaction details such as the interacting residues and all associated values have been made available. As a pioneering step, the diffraction precision index for protein structures, the atomic uncertainty for each atom, and the computed errors on the interatomic distances and angles are available in the database. Apart from the above, provision has been made to visualize the three-dimensional structures of both ligands and protein-ligand structures and their interactions in Jmol as well as JSmol. One of the salient features of NIMS is that it has been interfaced with a user-friendly and query-based efficient search engine. It was conceived and developed with the aim of serving a significant section of researchers working in the area of protein and nucleobase complexes. NIMS is freely available online at http://iris.physics.iisc.ernet.in/nims and it is hoped that it will prove to be an invaluable asset

Glaucoma Pred: Glaucoma prediction based on Myocilin genotype and phenotype information

Glaucoma is the second leading cause of blindness after cataract and is heterogeneous in nature. Employing a genetic approach for the detection of the diseased condition provides an advantage that the gene responsible for the disease can be identified by genetic test. The availability of predictive tests based on the published literature would provide a mechanism for early detection and treatment. The genotype and phenotype information could be a valuable source for predicting the risk of the disease. To this end, a web server has been developed, based on the genotype and phenotype of myocilin mutation, which were identified by familial linkage analysis and case studies. The proposed web server provides clinical data and severity index for a given mutation. The server has several useful options to help clinicians and researchers to identify individuals at a risk of developing the disease

An algorithm to find similar internal sequence repeats

In recent years, identification of sequence patterns has been given immense importance to understand better their significance with respect to genomic organization and evolutionary processes. To this end, an algorithm has been derived to identify all similar sequence repeats present in a protein sequence. The proposed algorithm is useful to correlate the three-dimensional structure of various similar sequence repeats available in the Protein Data Bank against the same sequence repeats present in other databases like SWISS-PROT, PIR and Genome databases