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      CX, DPX and PRIDE: WWW servers for the analysis and comparison of protein 3D structures

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          Abstract

          The WWW servers at http://www.icgeb.org/protein/ are dedicated to the analysis of protein 3D structures submitted by the users as the Protein Data Bank (PDB) files. CX computes an atomic protrusion index that makes it possible to highlight the protruding atoms within a protein 3D structure. DPX calculates a depth index for the buried atoms and makes it possible to analyze the distribution of buried residues. CX and DPX return PDB files containing the calculated indices that can then be visualized using standard programs, such as Swiss-PDBviewer and Rasmol. PRIDE compares 3D structures using a fast algorithm based on the distribution of inter-atomic distances. The options include pairwise as well as multiple comparisons, and fold recognition based on searching the CATH fold database.

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          Most cited references16

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          The interpretation of protein structures: estimation of static accessibility.

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            RASMOL: biomolecular graphics for all

            R Sayle (1995)
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              The CATH Domain Structure Database and related resources Gene3D and DHS provide comprehensive domain family information for genome analysis

              The CATH database of protein domain structures (http://www.biochem.ucl.ac.uk/bsm/cath/) currently contains 43 229 domains classified into 1467 superfamilies and 5107 sequence families. Each structural family is expanded with sequence relatives from GenBank and completed genomes, using a variety of efficient sequence search protocols and reliable thresholds. This extended CATH protein family database contains 616 470 domain sequences classified into 23 876 sequence families. This results in the significant expansion of the CATH HMM model library to include models built from the CATH sequence relatives, giving a 10% increase in coverage for detecting remote homologues. An improved Dictionary of Homologous superfamilies (DHS) (http://www.biochem.ucl.ac.uk/bsm/dhs/) containing specific sequence, structural and functional information for each superfamily in CATH considerably assists manual validation of homologues. Information on sequence relatives in CATH superfamilies, GenBank and completed genomes is presented in the CATH associated DHS and Gene3D resources. Domain partnership information can be obtained from Gene3D (http://www.biochem.ucl.ac.uk/bsm/cath/Gene3D/). A new CATH server has been implemented (http://www.biochem.ucl.ac.uk/cgi-bin/cath/CathServer.pl) providing automatic classification of newly determined sequences and structures using a suite of rapid sequence and structure comparison methods. The statistical significance of matches is assessed and links are provided to the putative superfamily or fold group to which the query sequence or structure is assigned.
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                Author and article information

                Journal
                Nucleic Acids Res
                Nucleic Acids Research
                Nucleic Acids Research
                Oxford University Press
                0305-1048
                1362-4962
                01 July 2005
                01 July 2005
                27 June 2005
                : 33
                : Web Server issue
                : W252-W254
                Affiliations
                Protein Structure and Bioinformatics Group, International Centre for Genetic Engineering and Biotechnology Area Science Park, 34012 Trieste, Italy
                Author notes
                *To whom correspondence should be addressed. Fax: +39 04 226 555; Email: pongor@ 123456icgeb.org

                Present addresses: L. Parthasarathi, Department of Clinical Pharmacology, Royal College of Surgeons, Dublin 2, Ireland

                O. Carugo, Department of General Chemistry, University of Pavia, 27100 Pavia, Italy

                Article
                10.1093/nar/gki362
                1160123
                15980464
                5a8128d7-c555-4df8-b139-2d3742175dca
                © The Author 2005. Published by Oxford University Press. All rights reserved

                The online version of this article has been published under an open access model. Users are entitled to use, reproduce, disseminate, or display the open access version of this article for non-commercial purposes provided that: the original authorship is properly and fully attributed; the Journal and Oxford University Press are attributed as the original place of publication with the correct citation details given; if an article is subsequently reproduced or disseminated not in its entirety but only in part or as a derivative work this must be clearly indicated. For commercial re-use, please contact journals.permissions@ 123456oupjournals.org

                History
                : 01 February 2005
                : 23 February 2005
                : 23 February 2005
                Categories
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                Genetics
                Genetics

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