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Dec 6, 2018·Bioinformatics
36 cites
GlycanFormatConverter: a conversion tool for translating the complexities of glycans

Shinichiro Tsuchiya, Issaku Yamada, Kiyoko F. Aoki‐Kinoshita

MOTIVATION: Glycans are biomolecules that take an important role in the biological processes of living organisms. They form diverse, complicated structures such as branched and cyclic forms. Web3 Unique Representation of Carbohydrate Structures (WURCS) was proposed as a new linear notation for uniquely representing glycans during the GlyTouCan project. WURCS defines rules for complex glycan structures that other text formats did not support, and so it is possible to represent a wide variety glycans. However, WURCS uses a complicated nomenclature, so it is not human-readable. Therefore, we aimed to support the interpretation of WURCS by converting WURCS to the most basic and widely used format IUPAC. RESULTS: In this study, we developed GlycanFormatConverter and succeeded in converting WURCS to the three kinds of IUPAC formats (IUPAC-Extended, IUPAC-Condensed and IUPAC-Short). Furthermore, we have implemented functionality to import IUPAC-Extended, KEGG Chemical Function (KCF) and LinearCode formats and to export WURCS. We have thoroughly tested our GlycanFormatConverter and were able to show that it was possible to convert all the glycans registered in the GlyTouCan repository, with exceptions owing only to the limitations of the original format. The source code for this conversion tool has been released as an open source tool. AVAILABILITY AND IMPLEMENTATION: https://github.com/glycoinfo/GlycanFormatConverter.git. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Open access
Glycosylation and Glycoproteins Research
Carbohydrate Chemistry and Synthesis
Microbial Natural Products and Biosynthesis
Original source
Apr 19, 2017·Carbohydrate Research
43 cites
Implementation of GlycanBuilder to draw a wide variety of ambiguous glycans

Shinichiro Tsuchiya, Nobuyuki P. Aoki, Daisuke Shinmachi, Masaaki Matsubara · 7 authors

GlyTouCan version 1.0 was released in 2015 as the international glycan structure repository, and a new sequence format called WURCS (Web3 Unique Representation of Carbohydrate Structures) was proposed during the early stages of the GlyTouCan project. GlyTouCan uses WURCS as its base representation for glycans because existing formats were insufficient in their flexibility to represent any and all glycans universally. Therefore, in order to obtain WURCS strings for existing or new glycan structures, conversion tools or glycan structure editors that can export WURCS became necessary. GlycanBuilder was an obvious choice to extend due to its wide usage by the community. However, GlycanBuilder was limited because it was originally developed to support mammalian glycans. It also did not support the newly proposed monosaccharide symbol standard called Symbol Nomenclature for Glycans (SNFG). Therefore in this work, we implemented a new version of GlycanBuilder to greatly increase its usability. The glycan rendering system was refactored so that cyclic glycans, nested repeating units, monosaccharide compositions and cross-linked glycan structures can be represented. Both import and export utilities for WURCS were also implemented and SNFG symbols were incorporated to allow glycans to be exported as graphics using the latest glycan symbol nomenclature. This new version of GlycanBuilder called "GlycanBuilder2", is able to support a wide variety of ambiguous glycans, including structures containing monosaccharides from bacteria and plants. These glycans can also be displayed using the new SNFG symbols. This tool can aid researchers in communicating about the complex, diverse, and ambiguous structures of glycans more rapidly. Moreover, the new GlycanBuilder can now easily output WURCS sequences from glycans drawn on the canvas. Most importantly, because GlyTouCan employs WURCS as the basic format for registration and searching of glycan information, a wider variety of glycans can now be readily registered and queried in GlyTouCan.

Open access
Glycosylation and Glycoproteins Research
Carbohydrate Chemistry and Synthesis
Enzyme Production and Characterization
Original source
Mar 6, 2017·Journal of Chemical Information and Modeling
60 cites
WURCS 2.0 Update To Encapsulate Ambiguous Carbohydrate Structures

Masaaki Matsubara, Kiyoko F. Aoki‐Kinoshita, Nobuyuki P. Aoki, Issaku Yamada · 5 authors

Accurate representation of structural ambiguity is important for storing carbohydrate structures containing varying levels of ambiguity in the literature and databases. Although many representations for carbohydrates have been developed in the past, a generalized but discrete representation format did not exist. We had previously developed the Web3 Unique Representation of Carbohydrate Structures (WURCS) in an attempt to define a generalizable and unique linear representation for carbohydrate structures. However, it lacked sufficient rules to uniquely describe ambiguous structures. In this work, we updated WURCS to handle such ambiguous monosaccharide structures. In particular, to handle structural ambiguity around (potential) carbonyl groups incidental to the carbohydrate analysis, we defined a representation of backbone carbons containing atomic-level ambiguity. As a result, we show that WURCS 2.0 can represent a wider variety of carbohydrate structures containing ambiguous monosaccharides, such as those whose ring closure is undefined or whose anomeric information is only known. This new format provides a representation of carbohydrates that was not possible before, and it is currently being used by the International Glycan Structure Repository GlyTouCan.

Open access
Glycosylation and Glycoproteins Research
Carbohydrate Chemistry and Synthesis
Genomics and Phylogenetic Studies
Original source
Jun 4, 2014·Journal of Chemical Information and Modeling
77 cites
WURCS: The Web3 Unique Representation of Carbohydrate Structures

Kenichi Tanaka, Kiyoko F. Aoki‐Kinoshita, Masaaki Kotera, Hiromichi Sawaki · 11 authors

In recent years, the Semantic Web has become the focus of life science database development as a means to link life science data in an effective and efficient manner. In order for carbohydrate data to be applied to this new technology, there are two requirements for carbohydrate data representations: (1) a linear notation which can be used as a URI (Uniform Resource Identifier) if needed and (2) a unique notation such that any published glycan structure can be represented distinctively. This latter requirement includes the possible representation of nonstandard monosaccharide units as a part of the glycan structure, as well as compositions, repeating units, and ambiguous structures where linkages/linkage positions are unidentified. Therefore, we have developed the Web3 Unique Representation of Carbohydrate Structures (WURCS) as a new linear notation for representing carbohydrates for the Semantic Web.

Open access
Glycosylation and Glycoproteins Research
Genomics and Phylogenetic Studies
Microbial Metabolites in Food Biotechnology
Original source
Jan 1, 2013·OhioLink ETD Center (Ohio Library and Information Network)
0 cites
Exploring the Sequence Landscape of the Four-helix Bundle Protein ROP using DeepSequencing

Nishanthi Panneerselvam

High throughput DNA sequencing technologies have revolutionized the field of genomics.It is now possible to generate huge amounts of sequencing data at significantly lower costs and greater speed.In this study, we have utilized Illumina deep sequencing to analyze the fitness landscape of the four-helix bundle protein ROP.All possible single point mutants of the 63 amino acid protein ROP were constructed.From the library of single point mutants of ROP, variants were enriched 1,000 fold for activity by a growth selection for six rounds, which works based on ROP's role in plasmid copy number regulation.The enrichment was monitored by a cell-based screen using a GFP reporter.As a proof of principle experiment, point mutant libraries at positions 14, 30 and 43 were individually subjected to growth selection, and colony sequencing of random variants from sixth round were mostly actives as expected based on prior knowledge of these positions.Colony sequencing of rounds zero (naives) and six from the actual library enrichment yielded promising results.Illumina deep sequencing was performed on rounds zero, three, six and eight.Paired-end reads were generated with each sequence containing short barcodes at each end to reveal the round and orientation.From the data analysis, relative enrichment for variants from different rounds lets us delve into the fitness landscape of ROP.iii Dedication To my mom, dad and family

Open access
RNA and protein synthesis mechanisms
Genomics and Phylogenetic Studies
Glycosylation and Glycoproteins Research
Original source