Abstract
PI2PE (http://pipe.sc.fsu.edu) is a suite of four web servers for predicting a variety of folding- and binding-related properties of proteins. These include the solvent accessibility of amino acids upon protein folding, the amino acids forming the interfaces of protein–protein and protein–nucleic acid complexes, and the binding rate constants of these complexes. Three of the servers debuted in 2007, and have garnered ∼2,500 unique users and finished over 30,000 jobs. The functionalities of these servers are now enhanced, and a new sever, for predicting the binding rate constants, has been added. Together, these web servers form a pipeline from protein sequence to tertiary structure, then to quaternary structure, and finally to binding kinetics.
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References
Albert R, Wang RS (2009) Discrete dynamic modeling of cellular signaling networks. Methods Enzymol 467:281–306
Aloy P, Bottcher B, Ceulemans H, Leutwein C, Mellwig C, Fischer S, Gavin AC, Bork P, Superti-Furga G, Serrano L, Russell RB (2004) Structure-based assembly of protein complexes in yeast. Science 303:2026–2029
Alsallaq R, Zhou HX (2008) Electrostatic rate enhancement and transient complex of protein-protein association. Proteins 71:320–335
Batley J, Edwards D (2009) Genome sequence data: management, storage, and visualization. Biotechniques 46:333–336
Bernaschi M, Castiglione F, Ferranti A, Gavrila C, Tinti M, Cesareni G (2007) ProtNet: a tool for stochastic simulations of protein interaction networks dynamics. BMC Bioinforma 8:S4
Chen H, Zhou HX (2005a) Prediction of interface residues in protein-protein complexes by a consensus neural network method: test against NMR data. Proteins 61:21–35
Chen H, Zhou HX (2005b) Prediction of solvent accessibility and sites of deleterious mutations from protein sequence. Nucleic Acids Res 33:3193–3199
Crute BE, Lewis AF, Wu Z, Bushweller JH, Speck NA (1996) Biochemical and biophysical properties of the core-binding factor alpha2 (AML1) DNA-binding domain. J Biol Chem 271:26251–26260
De Vries SJ, van Dijk ADJ, Krzeminski M, van Dijk M, Thureau A, Hsu V, Wassenaar T, Bonvin AMJJ (2007) HADDOCK versus HADDOCK: new features and performance of HADDOCK2.0 on the CAPRI targets. Proteins 69:726–733
Igarashi S, Osawa M, Takeuchi K, Ozawa S, Shimada I (2008) Amino acid selective cross-saturation method for identification of proximal residue pairs in a protein-protein complex. J Am Chem Soc 130:12168–12176
Kinch L, Yong Shi S, Cong Q, Cheng H, Liao Y, Grishin NV (2011) CASP9 assessment of free modeling target predictions. Proteins 79:59–73
La D, Kihara D (2012) A novel method for protein-protein interaction site prediction using phylogenetic substitution models. Proteins 80:126–141
Liang S, Zhang C, Liu S, Zhou Y (2006) Protein binding site prediction using an empirical scoring function. Nucleic Acids Res 34:3698–3707
Lu C, Xu H, Ranjith-Kumar CT, Brooks MT, Hou TY, Hu F, Herr AB, Strong RK, Kao CC, Li P (2010) The structural basis of 5' triphosphate double-stranded RNA recognition by RIG-I C-terminal domain. Structure 18:1032–1043
Magrane M and Consortium U (2011) UniProt Knowledgebase: a hub of integrated protein data. Database 2011:bar009
Mosca R, Pons C, Fernandez-Recio J, Aloy P (2009) Pushing structural information into the yeast interactome by high-throughput protein docking experiments. PLoS Comput Biol 5:e1000490
Osato M, Asou N, Abdalla E, Hoshino K, Yamasaki H, Okubo T, Suzushima H, Takatsuki K, Kanno T, Shigesada K, Ito Y (1999) Biallelic and heterozygous point mutations in the runt domain of the AML1/PEBP2aB gene associated with myeloblastic leukemias. Blood 93:1817–1824
Ozbek P, Soner S, Erman B, Haliloglu T (2010) DNABINDPROT: fluctuation-based predictor of DNA-binding residues within a network of interacting residues. Nucleic Acids Res 38:W417–W423
Pang X, Qin S, Zhou HX (2011) Rationalizing 5,000-fold differences in receptor-binding rate constants of four cytokines. Biophys J 101:1175–1183
Pieper U, Eswar N, Webb BM, Eramian D, Kelly L, Barkan DT, Carter H, Mankoo P, Karchin R, Marti-Renom MA et al (2009) MODBASE, a database of annotated comparative protein structure models and associated resources. Nucleic Acids Res 37:D347–D354
Qin S, Zhou H-X (2007) A holistic approach to protein docking. Proteins 69:743–749
Qin S, Zhou HX (2008) Prediction of salt and mutational effects on the association rate of U1A protein and U1 small nuclear RNA stem/loop II. J Phys Chem B 112:5955–5960
Qin S, Zhou HX (2009) Dissection of the high rate constant for the binding of a ribotoxin to the ribosome. Proc Natl Acad Sci USA 106:6974–6979
Qin S, Zhou HX (2010) Selection of near-native poses in CAPRI rounds 13-19. Proteins 78:3166–3173
Qin S, Zhou HX (2011) Structural models of protein-DNA complexes based on interface prediction and docking. Curr Protein Pept Sci 12:531–539
Qin S, Pang X, Zhou HX (2011) Automated prediction of protein association rate constants. Structure 19:1744–1751
Raman S, Vernon R, Thompson J, Tyka M, Sadreyev R, Pei J, Kim D, Kellogg E, DiMaio F, Lange O et al (2009) Structure prediction for CASP8 with all-atom refinement using Rosetta. Proteins 77:89–99
Roumier C, Fenaux P, Lafage M, Imbert M, Eclache V, Preudhomme C (2003) New mechanisms of AML1 gene alteration in hematological malignancies. Leukemia 17:9–16
Rual J-F, Venkatesan K, Hao T, Hirozane-Kishikawa T, Dricot A, Li N, Berriz GF, Gibbons FD, Dreze M, Ayivi-Guedehoussou N et al (2005) Towards a proteome-scale map of the human protein-protein interaction network. Nature 437:1173–1178
Schneider S, Zacharias M (2012) Scoring optimisation of unbound protein-protein docking including protein binding site predictions. J Mol Recogn 25:15–23
Silva JL, Vieira T, Gomes MPB, Rangel LP, Scapin SMN, Cordeiro Y (2011) Experimental approaches to the interaction of the prion protein with nucleic acids and glycosaminoglycans: Modulators of the pathogenic conversion. Methods 53:306–317
Tang YY, Crute BE, Kelley JJ, Huang X, Yan J, Shi J, Hartman KL, Laue TM, Speck NA, Bushweller JH (2000) Biophysical characterization of interactions between the core binding factor alpha and beta subunits and DNA. FEBS Lett 470:167–172
Terwilliger T (2011) The success of structural genomics. J Struct Funct Genom 12:43–44
Tjong H, Zhou HX (2007) DISPLAR: an accurate method for predicting DNA-binding sites on protein surfaces. Nucleic Acids Res 35:1465–1477
Tjong H, Qin S, Zhou HX (2007) PI2PE: protein interface/interior prediction engine. Nucleic Acids Res 35:W357–W362
Tuncbag N, Gursoy A, Nussinov R, Keskin O (2011) Predicting protein-protein interactions on a proteome scale by matching evolutionary and structural similarities at interfaces using PRISM. Nat Protoc 6:1341–1354
van Dijk AD, de Vries SJ, Dominguez C, Chen H, Zhou HX, Bonvin AM (2005) Data-driven docking: HADDOCK’s adventures in CAPRI. Proteins 60:232–238
Wang S, Wang Q, Crute BE, Melnikova IN, Keller SR, Speck NA (1993) Cloning and characterization of subunits of the T-cell receptor and murine leukemia virus enhancer core-binding factor. Mol Cell Biol 13:3324–3339
Xiong Y, Liu JA, Wei DQ (2011) An accurate feature-based method for identifying DNA-binding residues on protein surfaces. Proteins 79:509–517
Xu D, Zhang J, Roy A, Zhang Y (2011) Automated protein structure modeling in CASP9 by I-TASSER pipeline combined with QUARK-based ab initio folding and FG-MD-based structure refinement. Proteins 79:147–160
Zhang QC, Deng L, Fisher M, Guan J, Honig B, Petrey D (2011) PredUs: a web server for predicting protein interfaces using structural neighbors. Nucleic Acids Res 39:W283–W287
Zhao H, Yang Y, Zhou Y (2011) Structure-based prediction of RNA-binding domains and RNA-binding sites and application to structural genomics targets. Nucleic Acids Res 39:3017–3025
Zhou HX, Qin S (2007) Interaction-site prediction for protein complexes: a critical assessment. Bioinformatics 23:2203–2209
Zhou HX, Shan Y (2001) Prediction of protein interaction sites from sequence profile and residue neighbor list. Proteins 44:336–343
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We acknowledge the staff at the Florida State University High-Performance Computing Facility for assistance. This work was supported in part by Grant GM58187 from the National Institutes of Health.
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Qin, S., Zhou, HX. PI2PE: a suite of web servers for predictions ranging from protein structure to binding kinetics. Biophys Rev 5, 41–46 (2013). https://doi.org/10.1007/s12551-012-0086-7
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DOI: https://doi.org/10.1007/s12551-012-0086-7