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Computer Storage of Sequences
CSE730: Seminar on “Information Retrieval of Biomedical
Text and Data”
(Chapter 2 of Bioinformatics: Sequence and Genome Analysis
By David W. Mount)
Outline
Storing DNA/Protein sequences into computer files or databases.
Related information placed in the database along with the sequence in a number of sequence data formats.
Online public access Databases for sequence retrieval.
Nucleotide SequenceNomenclature Committee of the International Union of Biochemistry
Code Nucleic Acid(s) Code Nucleic Acid(s)
A Adenine M A or C (amino)
C Cytosine R A or G (purine)
G Guanine W A or T (weak)
T Thymine S C or G (strong)
U Uracil Y C or T (pyrimidine)
K G or T (keto)
V A or C or G
H A or C or T
D A or G or T
B C or G or T
N A or G or C or T (any)
Protein SequenceCode Amino acid Code Amino acid
A Alanine N Asparagine
B Asparagine P Proline
C Cysteine Q Glutamine
D Aspartic acid R Arginine
E Glutamic acid S Serine
F Phenylalanine T Threonine
G Glycine V Valine
H Histidine W Tryptophan
I Isoleucine X Unknown
K Lysine Y Tyrosine
L Leucine Z Glutamine
M Methionine
Adapted from IUPAC-IUB (1969,1972, 1983)
Sequence Formats
Sequence is stored as ASCII text (i.e. sequence of A,G,C,T…) along with annotations.
Different sequence formats recognized by different sequence analyzer programs.
Sequence Format includes accessory information, gene names, source organism, investigator name, references, and the actual sequence.
Sequence Formats (continued)
FASTA GenBank Flat File format PIR/CODATA format EMBL sequence entry format Intelligenetics sequence entry format GCG (Genetics Computer Group) sequence
entry format. ASN.1 XML
Databases
NCBI
GenBank at the National Center of Biotechnology Information (NCBI), National Library of Medicine, Washington, DC
NBRF
Protein Information Resource (PIR) database at the National Biomedical Research Foundation in Washington, DC
Databases (continued)
SwissProtThe SwissProt protein sequence database at ISREC, Swiss Institute for Experimental Cancer Research.
EMBLEuropean Molecular Biology Laboratory (EMBL) Outstation at Hixton, England
DDBJDNA DataBank of Japan (DDBJ) at Mishima, Japan
Databases on Internet
NCBI http://www.ncbi.nlm.nih.govPIR
http://www-nbrf.georgetown.edu/pirwww
SwissProt http://www.expasy.ch/cgi-bin/sprot-search-de
EMBL http://www.ebi.ac.uk/embl/index.htmlDDBJ http://www.ddbj.nig.ac.jp/
NCBI
National resource for molecular biology information.
Maintains comprehensive databases for variety of Biotech related information.
Develops and manages access to a range of databases and softwares for scientific and medical communities.
NCBI : Integrated Databases
Literature Databases Pubmed PubMed Central OMIM PROW BookShelf
NCBI : Integrated Databases (continued)
Nucleotide Databases GenBank EST Database GSS Database SNPs Database RefSeq STS Database
NCBI : Integrated Databases (continued)
Entrez Databases Pubmed Protein Sequence Database Nucleotide Sequence Database Taxonomy OMIM
GenBank
GenBank is the NIH genetic sequence database.
Annotated collection of all publicly available DNA sequences.
GenBank is a part of an international collaboration of sequence databases along with EMBL and DDBJ.
GenBank DNA Sequence Format
DNA sequence in GenBank is formatted into distinct attributes as following
Locus: locus name, sequence length, division, date
Definition: description of entry
Accession: unique accession number
Version: version of sequence
Keywords: keywords for cross referencing
GenBank DNA Sequence Format(continued)
Source: source organism of DNA
Organism: description of organism References: authors, title, journal, Medline, etc
Features: information about sequence
Base count: number of bases in sequence
Origin: sequence data begin following origin.
Genebank sample
NCBI : Tools
Tools for Data Retrieval and submission Text Term Searching Sequence Similarity Searching Taxonomy Searching Sequence Submission
NCBI : ENTREZ
Entrez is a search and retrieval system that integrates information from databases at NCBI.
These databases include nucleotide sequences, protein sequences, macromolecular structures, whole genomes, and MEDLINE, PubMed. Etc.
Entrez
NCBI : BLAST
BLAST: Basic Local Alignment Search Tool It is a set of similarity search programs designed
to explore available sequence databases. It uses a heuristic algorithm which is able to
detect relationships among sequences which share only isolated regions of similarity
Q-BLAST: It is a queuing system to BLAST that allows users to retrieve results at their convenience and format their results.
NCBI : BLAST (continued)
Access to BLAST serviceWeb-BLASTStandalone BLASTNetwork BLASTBLAST URL API
NCBI : BLAST (continued)
BLAST Programs Blastp : Compares amino acid sequence against
protein sequence Database Blastn : Compares nucleotide sequence against
nucleotide sequence Database Blastx :Compares nucleotide query sequence against
protein sequence Database Tblastn : Compares protein query sequence against
nucleotide sequence Database
BLAST
NBRF :PIR
Protein Information Resource
3 Major Databases:PSD (Protein Sequence Database)iProClassPIR-NREF
(Nonredundant REFerence protein database)
PIR: PSD
The PIR, in collaboration with MIPS and JIPID, produces and distributes the PIR-International Protein Sequence Database (PSD) .
Comprehensive and expertly annotated protein sequence database.
The primary sources of PSD data are sequences from GenBank/EMBL/DDBJ translations, published literature, and direct submission to PIR-International.
PIR: PSD (continued)
The PIR-PSD data is available in XML format and NBRF, PIR/CODATA formats. The sequence file is available in FASTA format.
Also available at PIR UNIX FTP server. Address: ftp://ftp.pir.georgetown.edu/pir_databases/psd/
CODATA format
CODATA format has approximately the same information as a GenBank or EMBL sequence file, but is slightly differently formatted and has different field names.
Also called PIR format, used by NBRF.
CODATA Sample
PIR: iProClass
The iProClass database provides comprehensive descriptions of all proteins and serves as a framework for data integration in a distributed networking environment.
Very user-friendly description.
PIR: NREF (Non-redundant REFerence protein database) Comprehensive: Containing all sequences from PIR-PSD, Swiss-
Prot, TrEMBL, RefSeq, GenPept, and updated bi-weekly.
Non-Redundant: Clustered by sequence identity and taxonomy at the species level.
Source Attribution: Containing protein IDs and names from associated databases (with hypertext links), in addition to protein sequence, taxonomy, and bibliography.
The current version (July 2002) consists of more than 809,000 non-redundant PIR-PSD, SwissProt and TrEMBL proteins organized with more than 36,200 PIR superfamilies, 145,340 families, and links to over 50 molecular biology databases.
Swiss-Prot
Swiss-Prot is a protein knowledgebase established in 1986.
Maintained collaboratively, by the Department of Medical Biochemistry of the University of Geneva (now the Swiss Institute of Bioinformatics) and the EMBL Data Library.
Swiss-Prot Sequence Entry Example
Sequence Format ConversionREADSEQ: Sequence Format Conversion program.http://bimas.dcrt.nih.gov/molbio/readseq/
Can convert to/from: ASN.1 FASTA CODATA GCG EMBL format GenBank format and many other formats
References
http://www.ncbi.nlm.nih.gov http://www-nbrf.georgetown.edu/pirwww http://www.expasy.ch/cgi-bin/sprot-search-de http://www.ebi.ac.uk/embl/index.html http://www.ddbj.nig.ac.jp/
Thank You
Presented by:Hemal Patel &
Jeetal Shah