Abstract
The unique representation of proteins becomes more and more important with the growing number of known protein structure data. Graph-theory provides many methods not only for the description but also for comparison and classification of protein structures. Here, we describe a graph-theoretical modeling approach of the protein supersecondary structure. The resulting linear notations are intuitive and can be used to find common substructures very fast and easily. We illustrate the necessary definitions by biological examples and discuss the representation of various supersecondary structure motifs.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsReferences
Bernstein FC, Koetzle TF, Williams GJ et al (1977) The Protein Data Bank: a computer-based archival file for macromolecular structures. J Mol Biol 112:535–542
Berman HM, Westbrook J, Feng Z et al (2000) The Protein Data Bank. Nucl Acids Res 28:235–242
Murzin AG, Brenner SE, Hubbard T et al (1995) SCOP: a structural classification of proteins database for the investigation of sequences and structures. J Mol Biol 247:536–540
Orengo CA, Michie AD, Jones DT et al (1997) CATH: a hierarchic classification of protein domain structures. Structure 5:1093–1108
May P, Kreuchwig A, Steinke T et al (2010) PTGL: a database for secondary structure-based protein topologies. Nucl Acids Res 38:D326–330
Frishman D, Argos P (1995) Knowledge-based secondary structure assignment. Proteins 23:566–579
Richards FM, Kundrot CE (1988) Identification of structural motifs from protein coordinate data: secondary structure and first-level supersecondary structure. Proteins 3:71–84
Sklenar H, Etchebest C, Lavery R (1989) Describing protein structure: a general algorithm yielding complete helicoidal parameters and a unique overall axis. Proteins 6:46–60
Cubellis MV, Cailliez F, Lovell SC (2005) Secondary structure assignment that accurately reflects physical and evolutionary characteristics. BMC Bioinform 6(Suppl 4):S8
Taylor WR (2001) Defining linear segments in protein structure. J Mol Biol 310:1135–1150
Kabsch W, Sander C (1983) Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features. Biopolymers 22:2577–637
Koch I, Lengauer T (1997) Detection of distant structural similarities in a set of proteins using a fast graph-based method. In proceedings of 5th international conference on intelligent systems for molecular biology, p 167–178
Koch I, Lengauer T, Wanke E (1996) An algorithm for finding maximal common sub-topologies in a set of protein structures. J Comp Biol 3:289–306
Bentley GA, Boulot G, Karjalainen K et al (1995) Crystal structure of the beta chain of a T cell antigen receptor. Science 267:1984–1987
Richardson JS (1981) The anatomy and taxonomy of protein structure. Adv Protein Chem 34:167–339
Richardson JS (1977) Beta-sheet topology and the relatedness of proteins. Nature 268:495–500
Koch I (1998) Ein graphentheoretischer Ansatz zum paarweisen und multiplen Vergleich von Proteinstrukturen. (in German) Wissenschaft und Technik Verlag Berlin
Brown NR, Noble ME, Lawrie AM et al (1999) Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity. J Biol Chem 274:8746–8756
Kreuchwig A (2007) Development and comparing investigations of search patters for topological protein structure motifs using graph-theory (in German). Bachelor’s Thesis at Free University Berlin
Egloff M-P, Uppenberg J, Haalck L et al (2001) Crystal structure of Maltose phosphorylase from Lactobacillus Brevis: unexpected evolutionary relationship with Glucoamylases. Structure 9:689–697
Bianchet MA, Hullihen J, Pedersen PL et al (1998) The 2.8-A structure of rat liver F1-ATPase: configuration of a critical intermediate in ATP synthesis/hydrolysis. Proc Natl Acad Sci USA 95:11065–11070
Gawronski-Salerno J, Freymann DM (2007) Structure of the GMPPNP-stabilized NG domain complex of the SRP GTPases Ffh and FtsY. J Struct Biol 158:122–128
Pylypenko O, Rak A, Reents R et al (2003) Structure of Rab escort protein-1 in complex with Rab geranylgeranyltransferase. Mol Cell 11:483–494
Eads JC, Ozturk D, Wexler TB et al (1997) A new function for a common fold: the crystal structure of quinolinic acid phosphoribosyltransferase. Structure 5:47–58
Smith RD (1999) Correlations between bound N-alkyl isocyanide orientations and pathways for ligand binding in recombinant myoglobins. Thesis, Rice.
Bianchetti CM, Blouin GC, Bitto E et al (2010) The structure and NO binding properties of the nitrophorin-like heme-binding protein from Arabidopsis thaliana gene locus At1g79260.1. Proteins 78:917–931
Hohoff C, Borchers T, Rustow B et al (1999) Expression, purification, and crystal structure determination of recombinant human epidermal-type fatty acid binding protein. Biochemistry 38:12229–12239
Aghajari N, Feller G, Gerday C et al (1998) Crystal structures of the psychrophilic alpha-amylase from Alteromonas haloplanctis in its native form and complexed with an inhibitor. Protein Sci 7:564–572
Renault L, Nassar N, Vetter I et al (1998) The 1.7 A crystal structure of the regulator of chromosome condensation (RCC1) reveals a seven-bladed propeller. Nature 392:97–101
Gregg KJ, Finn R, Abbott DW et al (2008) Divergent modes of glycan recognition by a new family of carbohydrate-binding modules. J Biol Chem 283:12604–12613
Nagae M, Nishikawa K, Yasui N et al (2008) Structure of the F-spondin reeler domain reveals a unique beta-sandwich fold with a deformable disulfide-bonded loop. Acta Cryst D 64:1138–1145
Mazza C (1997) Human type I 17beta-hydroxysteroid dehydrogenase: site directed mutagenesis and X-ray crystallography structure-function analysis. PhD Thesis at Universite Joseph Fourier
Banner DW, Bloomer A, Petsko et al (1976) Atomic coordinates for triose phosphate isomerase from chicken muscle. Biochem Biophys Res Commun 72:146–155
Rao-Naik C, delaCruz W, Laplaza JM et al (1998) The rub family of ubiquitin-like proteins. Crystal structure of Arabidopsis rub1 and expression of multiple rubs in Arabidopsis. J Biol Chem 273:34976–34982
Binda C, Coda A, Aliverti A et al (1998) Structure of the mutant E92K of [2Fe-2S] ferredoxin I from Spinacia oleracea at 1.7 A resolution. Acta Cryst D 54:1353–1358
Price SR, Evans PR, Nagai K (1998) Crystal structure of the spliceosomal U2B”-U2A’ protein complex bound to a fragment of U2 small nuclear RNA. Nature 394:645–650
Lindahl M, Svensson LA, Liljas A et al (1994) Crystal structure of the ribosomal protein S6 from Thermus thermophilus. EMBO J 13:1249–1254
Acknowledgement
We thank Thomas Steinke for many stimulating discussions and Norbert Dichter for technical support.
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2012 Springer Science+Business Media New York
About this protocol
Cite this protocol
Koch, I., Kreuchwig, A., May, P. (2012). Hierarchical Representation of Supersecondary Structures Using a Graph-Theoretical Approach. In: Kister, A. (eds) Protein Supersecondary Structures. Methods in Molecular Biology, vol 932. Humana Press, Totowa, NJ. https://doi.org/10.1007/978-1-62703-065-6_2
Download citation
DOI: https://doi.org/10.1007/978-1-62703-065-6_2
Published:
Publisher Name: Humana Press, Totowa, NJ
Print ISBN: 978-1-62703-064-9
Online ISBN: 978-1-62703-065-6
eBook Packages: Springer Protocols