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CX, DPX, and PCW: Web Servers for the Visualization of Interior and Protruding Regions of Protein Structures in 3D and 1D

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Prediction of Protein Secondary Structure

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1484))

Abstract

The CX and DPX web-based servers at http://pongor.itk.ppke.hu/bioinfoservices are dedicated to the analysis of protein 3D structures submitted by the users as Protein Data Bank (PDB) files. CX computes an atomic protrusion index, cx that makes it possible to highlight the protruding atoms within a protein 3D structure. DPX calculates a depth index, dpx for buried atoms, and allows one to visualize the distribution of buried residues. CX and DPX visualize 3D structures colored according to the calculated indices and return PDB files that can be visualized using standard programs. A combined server site, the Protein Core Workbench allows visualization of dpx, cx, solvent-accessible area as well as the number of atomic contacts as 3D plots and 1D sequence plots. Online visualization of the 3D structures and 1D sequence plots are available in all three servers. Mirror sites are available at http://hydra.icgeb.trieste.it/protein/.

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References

  1. Sayle RA, Milner-White EJ (1995) RASMOL: biomolecular graphics for all. Trends Biochem Sci 20(9):374

    Article  CAS  PubMed  Google Scholar 

  2. Koradi R, Billeter M, Wuthrich K (1996) MOLMOL: a program for display and analysis of macromolecular structures. J Mol Graph 14(1):51–55, 29–32

    Article  CAS  PubMed  Google Scholar 

  3. Kaplan W, Littlejohn TG (2001) Swiss-PDB viewer (deep view). Brief Bioinform 2(2):195–197

    Article  CAS  PubMed  Google Scholar 

  4. Schrodinger LLC (2010) The PyMOL molecular graphics system, Version 1.3r1

    Google Scholar 

  5. Carugo O, Cemazar M, Zahariev S, Hudaky I, Gaspari Z, Perczel A, Pongor S (2003) Vicinal disulfide turns. Protein Eng 16(9):637–639

    Article  CAS  PubMed  Google Scholar 

  6. Carugo O, Pongor S (2001) A normalized root-mean-square distance for comparing protein three-dimensional structures. Protein Sci 10(7):1470–1473

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  7. Carugo O, Pongor S (2002) The evolution of structural databases. Trends Biotechnol 20(12):498–501

    Article  CAS  PubMed  Google Scholar 

  8. Carugo O, Pongor S (2002) Recent progress in protein 3D structure comparison. Curr Protein Pept Sci 3(4):441–449

    Article  CAS  PubMed  Google Scholar 

  9. Carugo O, Pongor S (2002) Protein fold similarity estimated by a probabilistic approach based on C(alpha)-C(alpha) distance comparison. J Mol Biol 315(4):887–898

    Article  CAS  PubMed  Google Scholar 

  10. Dhir S, Pacurar M, Franklin D, Gaspari Z, Kertesz-Farkas A, Kocsor A, Eisenhaber F, Pongor S (2010) Detecting atypical examples of known domain types by sequence similarity searching: the SBASE domain library approach. Curr Protein Pept Sci 11(7):538–549

    Article  CAS  PubMed  Google Scholar 

  11. Gaspari Z, Angyan AF, Dhir S, Franklin D, Perczel A, Pintar A, Pongor S (2010) Probing dynamic protein ensembles with atomic proximity measures. Curr Protein Pept Sci 11(7):515–522

    Article  CAS  PubMed  Google Scholar 

  12. Gaspari Z, Vlahovicek K, Pongor S (2005) Efficient recognition of folds in protein 3D structures by the improved PRIDE algorithm. Bioinformatics 21(15):3322–3323

    Article  CAS  PubMed  Google Scholar 

  13. Kertesz-Farkas A, Dhir S, Sonego P, Pacurar M, Netoteia S, Nijveen H, Kuzniar A, Leunissen JA, Kocsor A, Pongor S (2008) Benchmarking protein classification algorithms via supervised cross-validation. J Biochem Biophys Methods 70(6):1215–1223

    Article  CAS  PubMed  Google Scholar 

  14. Pintar A, Carugo O, Pongor S (2002) CX, an algorithm that identifies protruding atoms in proteins. Bioinformatics 18(7):980–984

    Article  CAS  PubMed  Google Scholar 

  15. Pintar A, Carugo O, Pongor S (2003) Atom depth in protein structure and function. Trends Biochem Sci 28(11):593–597

    Article  CAS  PubMed  Google Scholar 

  16. Pintar A, Carugo O, Pongor S (2003) Atom depth as a descriptor of the protein interior. Biophys J 84(4):2553–2561

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  17. Pintar A, Carugo O, Pongor S (2003) DPX: for the analysis of the protein core. Bioinformatics 19(2):313–314

    Article  CAS  PubMed  Google Scholar 

  18. Pongor S, Skerl V, Cserzo M, Hatsagi Z, Simon G, Bevilacqua V (1993) The SBASE domain library: a collection of annotated protein segments. Protein Eng 6(4):391–395

    Article  CAS  PubMed  Google Scholar 

  19. Sonego P, Pacurar M, Dhir S, Kertesz-Farkas A, Kocsor A, Gaspari Z, Leunissen JA, Pongor S (2007) A protein classification benchmark collection for machine learning. Nucleic Acids Res 35(Database issue):D232–D236

    Article  CAS  PubMed  Google Scholar 

  20. Vlahovicek K, Carugo O, Pongor S (2002) The PRIDE server for protein three-dimensional similarity. J Appl Cryst 35:648–649

    Article  CAS  Google Scholar 

  21. Vlahovicek K, Pintar A, Parthasarathi L, Carugo O, Pongor S (2005) CX, DPX and PRIDE: WWW servers for the analysis and comparison of protein 3D structures. Nucleic Acids Res 33(Web Server issue):W252–W254

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  22. Brukner I, Dlakic M, Savic A, Susic S, Pongor S, Suck D (1993) Evidence for opposite groove-directed curvature of GGGCCC and AAAAA sequence elements. Nucleic Acids Res 21(4):1025–1029

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  23. Brukner I, Sanchez R, Suck D, Pongor S (1995) Trinucleotide models for DNA bending propensity: comparison of models based on DNaseI digestion and nucleosome packaging data. J Biomol Struct Dyn 13(2):309–317

    Article  CAS  PubMed  Google Scholar 

  24. Brukner I, Sanchez R, Suck D, Pongor S (1995) Sequence-dependent bending propensity of DNA as revealed by DNase I: parameters for trinucleotides. EMBO J 14(8):1812–1818

    CAS  PubMed  PubMed Central  Google Scholar 

  25. Gabrielian A, Vlahovicek K, Pongor S (1997) Distribution of sequence-dependent curvature in genomic DNA sequences. FEBS Lett 406(1–2):69–74

    Article  CAS  PubMed  Google Scholar 

  26. Munteanu MG, Vlahovicek K, Parthasarathy S, Simon I, Pongor S (1998) Rod models of DNA: sequence-dependent anisotropic elastic modelling of local bending phenomena. Trends Biochem Sci 23(9):341–347

    Article  CAS  PubMed  Google Scholar 

  27. Vlahovicek K, Kajan L, Pongor S (2003) DNA analysis servers: plot.it, bend.it, model.it and IS. Nucleic Acids Res 31(13):3686–3687

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  28. Vlahovicek K, Munteanu MG, Pongor S (1999) Sequence-dependent modelling of local DNA bending phenomena: curvature prediction and vibrational analysis. Genetica 106(1–2):63–73

    Article  CAS  PubMed  Google Scholar 

  29. Vlahovicek K, Pongor S (2000) Model.it: building three dimensional DNA models from sequence data. Bioinformatics 16(11):1044–1045

    Article  CAS  PubMed  Google Scholar 

  30. Herraez A (2006) Biomolecules in the computer: Jmol to the rescue. Biochem Mol Biol Educ 34(4):255–261

    Article  CAS  PubMed  Google Scholar 

  31. Hubbard SJ, Thornton JM (1993) NACCESS. 2.1.1 edn., Department of Biochemistry and Molecular Biology University College, London

    Google Scholar 

  32. Williams T, Kelley C (2011) Gnuplot 4.5: an interactive plotting program. http://gnuplot.info

  33. Lee B, Richards FM (1971) The interpretation of protein structures: estimation of static accessibility. J Mol Biol 55(3):379–400

    Article  CAS  PubMed  Google Scholar 

  34. Connolly ML (1986) Measurement of protein surface shape by solid angles. J Mol Graph 4:3–6

    Article  CAS  Google Scholar 

  35. Nishikawa K, Ooi T (1986) Radial locations of amino acid residues in a globular protein: correlation with the sequence. J Biochem 100(4):1043–1047

    Article  CAS  PubMed  Google Scholar 

  36. Taylor WR, Thornton JM, Turnell WG (1983) An ellipsoidal approximation of protein shape. J Mol Graph 1(2):30–38

    Article  CAS  Google Scholar 

  37. Klaus W, Gsell B, Labhardt AM, Wipf B, Senn H (1997) The three-dimensional high resolution structure of human interferon alpha-2a determined by heteronuclear NMR spectroscopy in solution. J Mol Biol 274(4):661–675

    Article  CAS  PubMed  Google Scholar 

  38. Bocskei Z, Groom CR, Flower DR, Wright CE, Phillips SE, Cavaggioni A, Findlay JB, North AC (1992) Pheromone binding to two rodent urinary proteins revealed by X-ray crystallography. Nature 360(6400):186–188

    Article  CAS  PubMed  Google Scholar 

  39. Dyda F, Hickman AB, Jenkins TM, Engelman A, Craigie R, Davies DR (1994) Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases. Science 266(5193):1981–1986

    Article  CAS  PubMed  Google Scholar 

  40. Richards FM (1974) The interpretation of protein structures: total volume, group volume distributions and packing density. J Mol Biol. 82(1):1–14

    Google Scholar 

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Correspondence to Sándor Pongor .

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Ligeti, B., Vera, R., Juhász, J., Pongor, S. (2017). CX, DPX, and PCW: Web Servers for the Visualization of Interior and Protruding Regions of Protein Structures in 3D and 1D. In: Zhou, Y., Kloczkowski, A., Faraggi, E., Yang, Y. (eds) Prediction of Protein Secondary Structure. Methods in Molecular Biology, vol 1484. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-6406-2_20

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  • DOI: https://doi.org/10.1007/978-1-4939-6406-2_20

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  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-6404-8

  • Online ISBN: 978-1-4939-6406-2

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