Carbohydrate Structure Database: Difference between revisions

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The main data stored in CSDB are [[carbohydrate]] structures of bacterial, fungal, and plant origin. Each structure is assigned to an organism and is provided with the link(s) to the corresponding scientific publication(s), in which it was described. Apart from structural data, CSDB also stores [[Nuclear Magnetic Resonance Spectroscopy|NMR]] spectra, information on methods used to decipher a particular structure, and some other data.<ref name="Merged_CSDB" /><ref>{{cite journal| author=Harvey D.J.| date=2015|journal=Mass Spectrometry Reviews |title=Analysis of carbohydrates and glycoconjugates by matrix-assisted laser desorption/ionization mass spectrometry: An update for 2011-2012|doi=10.1002/mas.21471|pmid=26270629|volume=36| issue=3|pages=255–422}}</ref>
CSDB provides access to several carbohydrate-related research tools:
* Simulation of 1D and 2D [[NMR]] spectra of [[carbohydrates]] ([http://csdb.glycoscience.ru/database/index.html?help=nmr GODDESS: glycan-oriented database-driven empirical spectrum simulation]).<ref name="GODDESS">{{cite journal| author=Kapaev R.R.| author2=Egorova K.S.| author3=Toukach Ph.V.|date=2014|journal=Journal of Chemical Information and Modeling |volume=54|issue=9|pages=2594–2611 |title=Carbohydrate structure generalization scheme for database-driven simulation of experimental observables, such as NMR chemical shifts|doi = 10.1021/ci500267u|pmid=25020143}}</ref><ref name="GODESS_1HGODDESS_1H">{{cite journal| author=Kapaev R.R.| author2=Toukach Ph.V.|date=2015|journal=Analytical Chemistry |volume=87|pages=7006–7010 |title=Improved carbohydrate structure generalization scheme for <sup>1</sup>H and <sup>13</sup>C NMR simulations| issue=14|doi=10.1021/acs.analchem.5b01413|pmid=26087011}}</ref><ref name="GODESS_2DGODDESS_2D">{{cite journal| author=Kapaev R.R.| author2=Toukach Ph.V.|date=2016|journal=Journal of Chemical Information and Modeling |volume=56|pages=1100–1104 |title=Simulation of 2D NMR Spectra of Carbohydrates Using GODESSGODDESS Software| issue=6|doi=10.1021/acs.jcim.6b00083|pmid=27227420}}</ref>
* Automated [[NMR]]-based structure elucidation ([http://csdb.glycoscience.ru/database/index.html?help=nmr#grass GRASS: generation, ranking and assignment of saccharide structures]).<ref name="GRASS">{{cite journal| author=Kapaev R.R.| author2=Toukach Ph.V.|date=2018|journal=Bioinformatics |volume=34|issue=6|pages=957–963 |title=GRASS: semi-automated NMR-based structure elucidation of saccharides|doi = 10.1093/bioinformatics/btx696|pmid=29092007|doi-access=free}}</ref>
* [[Statistical analysis]] of structural feature distribution in [[glycomes]] of living organisms<ref name="taxon_clustering">{{cite journal| author=Egorova K.S.|author2=Kondakova A.N.|author3=Toukach Ph.V.| date=2015|journal=Database |pages=ID bav073 |title=Carbohydrate structure database: tools for statistical analysis of bacterial, plant and fungal glycomes|doi=10.1093/database/bav073|pmid=26337239|pmc=4559136|volume=2015}}</ref><ref name="Statistics">{{cite journal| author=Herget S.| author2=Toukach Ph.V.| author3=Ranzinger R.| author4=Hull W.E.| author5=Knirel Y.| author6=von der Lieth C.-W.| date=2008|journal=BMC Structural Biology |volume=8|pages=ID 35 |title=Statistical analysis of the Bacterial Carbohydrate Structure Data Base (BCSDB): Characteristics and diversity of bacterial carbohydrates in comparison with mammalian glycans|doi=10.1186/1472-6807-8-35|pmid=18694500| pmc=2543016}}</ref>
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CSDB is reported as one of the biggest projects in [[glycoinformatics]].<ref>{{cite journal|author=Rigden D.J.|author2=Fernández-Suárez X.M.|author3=Galperin M.Y. | date=2016|journal=Nucleic Acids Research |volume=44|issue=D1 |pages=D1–D6 |title=The 2016 database issue of Nucleic Acids Research and an updated molecular biology database collection|doi=10.1093/nar/gkv1356|pmid=26740669 |pmc=4702933}}</ref><ref>{{cite journal|author=Aoki-Kinoshita K.F. | date=2013|journal=Molecular & Cellular Proteomics |volume=12|issue=4 |pages=1036–1045 |title=Using databases and web resources for glycomics research|doi=10.1074/mcp.R112.026252|pmid=23325765|pmc=3617328}}</ref><ref>{{cite journal|author=Frank M.|author2=Schloissnig S. | date=2010|journal=Cellular and Molecular Life Sciences |volume=67|issue=16 |pages=2749–2772 |title=Bioinformatics and molecular modeling in glycobiology.|doi=10.1007/s00018-010-0352-4|pmid=20364395 |pmc=2912727}}</ref><ref>{{cite journal|author=Artemenko N.V.|author2=McDonald A.G.|author3=Davey G.P.|author4=Rudd P.M. | date=2012|journal=Methods in Molecular Biology |volume=899 |pages=325–350 |title=Databases and tools in glycobiology|doi=10.1007/978-1-61779-921-1_21|pmid=22735963|isbn=978-1-61779-920-4}}</ref><ref>{{cite journal|author=Lütteke T. | date=2012|journal=Beilstein Journal of Organic Chemistry |volume=8 |pages=915–929 |title=The use of glycoinformatics in glycochemistry|doi=10.3762/bjoc.8.104|pmid=23015842 |pmc=3388882}}</ref><ref>{{cite journal|author=Zhulin I.B. | date=2015|journal=Journal of Bacteriology |volume=197|issue=15 |pages=2458–2467 |title=Databases for Microbiologists|doi=10.1128/JB.00330-15|pmid=26013493|pmc=4505447}}</ref><ref>{{cite journal|author=Yamada K.|author2=Kakehi K. | date=2011|journal=Journal of Pharmaceutical and Biomedical Analysis |volume=55|issue=4 |pages=702–727 |title=Recent advances in the analysis of carbohydrates for biomedical use|doi=10.1016/j.jpba.2011.02.003|pmid=21382683}}</ref> It is employed in structural studies of natural carbohydrates<ref>{{cite journal| author=Fontana C.|author2=Zaccheus M.|author3=Weintraub A.|author4=Ansaruzzaman M.|author5=Widmalm G.| date=2016|journal=Carbohydrate Research |volume=432 |pages=41–49 |title=Structural studies of a polysaccharide from Vibrio parahaemolyticus strain AN-16000|doi=10.1016/j.carres.2016.06.004|pmid=27392309|url=http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-133271}}</ref><ref>{{cite journal| author=Potekhina N.V.|author2=Shashkov A.S.|author3=Senchenkova S.N.|author4=Dorofeeva L.V.|author5=Evtushenko L.I.| date=2012|journal=Biochemistry (Moscow) |volume=77 |issue=11 |pages=1294–1302 |title=Structure of hexasaccharide 1-phosphate polymer from Arthrobacter uratoxydans VKM Ac-1979(T) cell wall|doi=10.1134/S0006297912110089|pmid=23240567}}</ref><ref>{{cite journal| author=Chapot-Chartier M.P.|author2=Vinogradov E.|author3=Sadovskaya I.|author4=Andre G.|author5=Mistou M.Y.|author6=Trieu-Cuot P.|author7=Furlan S.|author8=Bidnenko E.|author9=Courtin P.|author10=Péchoux C.|author11=Hols P.|author12=Dufrêne Y.F.|author13=Kulakauskas S.| date=2010|journal=Journal of Biological Chemistry |volume=285|issue=14 |pages=10464–10471 |title=Cell surface of Lactococcus lactis is covered by a protective polysaccharide pellicle|doi=10.1074/jbc.M109.082958|pmid=20106971|pmc=2856253}}</ref> and in glyco-profiling.<ref>{{cite journal| author=Walsh I.|author2=Zhao S.|author3=Campbell M.|author4=Taron C.H.|author5=Rudd P.M.| date=2016|journal=Current Opinion in Structural Biology |volume=40 |pages=70–80 |title=Quantitative profiling of glycans and glycopeptides: an informatics' perspective|doi=10.1016/j.sbi.2016.07.022|pmid=27522273}}</ref>
The content of CSDB has been used as a data source in other [[glycoinformatics]] projects.<ref>{{cite journal|author=Ranzinger R.|author2=York W.S. | date=2015|journal=Methods in Molecular Biology |volume=1273 |pages=109–124 |title=GlycomeDB|doi=10.1007/978-1-4939-2343-4_8|pmid=25753706|isbn=978-1-4939-2342-7 }}</ref><ref>{{cite journal|author=Ranzinger R.|author2=Herget S.|author3=von der Lieth C.-W.|author4=Frank M. | date=2011|journal=Nucleic Acids Research - Database Issue |volume=39 |pages=D373-376 |title=GlycomeDB - a unified database for carbohydrate structures|issue=Database issue|doi=10.1093/nar/gkq1014|pmid=21045056 |pmc=3013643}}</ref><ref>{{cite journal|author=Aoki-Kinoshita K.F.|display-authors=et al | date=2016|journal=Nucleic Acids Research - Database Issue |volume=44|issue=D1 |pages=D1237-1242 |title=GlyTouCan 1.0 - The international glycan structure repository|doi=10.1093/nar/gkv1041|pmid=26476458 |pmc=4702779}}</ref><ref>{{cite journal|author=Campbell M.P.|author2=Ranzinger R.|author3=Lütteke T.|author4=Mariethoz J.|author5=Hayes CA.|author6=Zhang J.|author7=Akune Y.|author8=Aoki-Kinoshita K.F.|author9=Damerell D.|author10=Carta G.|author11=York W.S.|author12=Haslam S.M.|author13=Narimatsu H.|author14=Rudd P.M.|author15=Karlsson N.G.|author16=Packer N.H.|author17=Lisacek F. | date=2014|journal=BMC Bioinformatics |volume=15 |pages=Suppl 1:S9 |title=Toolboxes for a standardised and systematic study of glycans|doi=10.1186/1471-2105-15-S1-S9|pmid=24564482 |pmc=4016020}}</ref>
 
==Deposited objects==
 
* Molecular structures of [[glycan|glycans]], [[glycopolymer|glycopolymers]] and [[glycoconjugate| glycoconjugates]]: primary structure, [[aglycon]] information, polymerization degree and class of molecule. Structural scope includes molecules composed of residues ([[monosaccharides]], [[polyol|alditols]], [[amino acids]], [[fatty acids]] etc.) linked by [[glycosidic bond|glycosidic]], ester, amidic, ketal, phospho- or sulpho-diester bonds, in which at least one residue is a monosaccharide or its derivative.
* Bibliography associated with structures: imprint data, keywords, abstracts, IDs in bibliographic databases
* Biological context of structures: associated [[taxon]], [[strain (biology)|strain]], [[serogroup]], host organism, disease information. The covered domains are: prokaryotes, plants, fungi and selected pathogenic [[unicellular]] [[metazoa]]. The database contains only glycans originating from these domains or obtained by chemical modification of such glycans.
* Assigned [[Nuclear Magnetic Resonance Spectroscopy|NMR]] spectra and experimental conditions.
* [[glycosyltransferase|Glycosyltransferases]] associated with taxons: [[gene]] and [[enzyme]] identifiers, full structures, donor and substrates, methods used to prove enzymatic activity, trustworthiness level.
* References to other databases
* Other data collected from original publications
* [[Ramachandran plot|Conformation maps]] of disaccharides derived from [[molecular dynamics]] simulations.
 
== Interrelation with other databases ==