Goals
- Predict specificity of peptide recognition domain from the primary amino acid sequence.
- Analyze PDZ, WW and then SH3 domains
Strategy
Status
- [wiki:/Log Status Log]
Tasks
Learn SVN, Brain code (ResidueResidueCorrelation)
- Literature review related to domain specificity (background activity), PDZ domains (from Ioana's project)
Run ResidueResidue correlation analysis on PDZ domain data: 1-1 version + try others e.g. 1-2 (Requires: PDZ profiles from Gary)
- MSA subproject
Learn basics of multiple sequence alignment (Baxevanis, chapter 12)
- Find and evaluate MSA algorithms (compare notes with Stacy) + evaluate Superfamily, PFAM databases of protein family alignments
- Try different multiple sequence alignment algorithms (MSA) on the PDZ domain sequences to see if they affect the correlation results.
- Benchmark/validate correlation subproject
- We know H (PDZ), T @-2 (peptide) correlation
- Look at structures (e.g. 1N7T and 1BE9) to see if correlated residues/positions are close to each other and compatible (physicochemically)
Build set of known true and false correlations for use in evaluating prediction algorithm (Note: also ask Dev Sidhu, when available). See [http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=pubmed&cmd=Retrieve&dopt=AbstractPlus&list_uids=10871264 Baldi et al. review]
- Amino acid group subproject
- Learn about amino acid groups
- Define an initial aa grouping (reasonable grouping from Levy paper)
Add new feature to ResidueResidueCorrelation class so it considers grouping + run on PDZ data
- Try all groupings to see how it affects the results (from Levy paper)
- See if we can incorporate aa similarity defined by substitution matrix approach (e.g. BLOSUM, PAM, GONNET) into our method, instead of grouping
- Similarly, evaluate aa similarity defined by factor analysis (Atchley et al paper)
- Think about new PDZ domain features that can be used for prediction.
Ideas
- Use of structural data (PDZ domain structures) (may require homology modeling)
- Use of machine learning methods (SVM for classification and boosting decision tree for interpretable learning model)
- Analysis of correlation within domain and peptide (inter-residue correlation) maybe correspondence analysis
Team
- Shirley Hui
- Gary Bader
Tools/Resources
Databases
[http://www.ensembl.org/ Ensembl]
- Software system which produces and maintains automatic annotation on selected eukaryotic genomes.
[http://www.ebi.ac.uk/interpro/ InterPro]
- Database of protein families, domains and functional sites in which identifiable features found in known proteins can be applied to unknown protein sequences.
[http://www.biomart.org/ BioMart]
- Query-oriented data management system that simplifies the task of creation and maintenance of advanced query interfaces backed by a relational database. It is particularly suited for providing the 'data mining' like searches of complex descriptive (e.g. biological) data.
Sequence Alignment
Multiple
[http://www.drive5.com/muscle/ Muscle]
- MUltiple Sequence Comparison by Log-Expectation.
[http://www.ebi.ac.uk/clustalw/ ClustalW]
Viewers
[http://www.jalview.org/ JalView]
- Multiple alignment viewer/editor written in Java
Background Literature
More General
- The Human and Mouse Complement of SH2 Domain Proteins-Establishing the Boundaries of Phosphotyrosine Signaling, Liu BA, Jablonowski K, Raina M, Arce M, Pawson T and Nash PD, Mol Cell, 2006 Jun 23; 22(6):851-68.
- attachment:Human_mouse_complement_of_SH2_domain_proteins_Liu_2006.pdf
- Domains, motifs, and scaffolds: the role of modular interactions in the evolution and wiring of cell signaling circuits, Bhattacharyya RP, Remenyi A, Yeh BJ, Lim WA., Annu Rev Biochem. 2006;75:655-80.
- attachment:Domains_motifs_scaffolds_Bhattacharyya_et_al_2006.pdf
- The Structure and Function of Proline Recognition Domains, Zarrinpar A, Bhattacharyya RP, Lim WA., Sci STKE. 2003 Apr 22;2003(179):RE8.
- attachment:Structure_Function_Pro_Recog_Domains_Zarrinpar_et_al_2003.pdf
Specificity Prediction/Inference
- Ab initio prediction of transcription factor targets using structural knowledge, Kaplan T, Friedman N, Margalit H, PLoS Comput Biol. 2005 Jun;1(1):e1. Epub 2005 Jun 24.
- attachment:Ab_Initio_Prediction_Transcription_Factor_Targets_Using_Structural_Knowlegde_Kaplan_2005.pdf
- Specificity and robustness in transcription control networks, Sengupta AM, Djordjevic M, Shraiman BI, Proc Natl Acad Sci U S A. 2002 Feb 19;99(4):2072-7.
- attachment:Specificity_robustness_transcription_control_networks_Sengupta_2002.pdf
- Can we infer peptide recognition specificity mediated by SH3 domains?, Cesareni G, Panni S, Nardelli G, Castagnoli L., FEBS Lett. 2002 Feb 20;513(1):38-44.
- attachment:Can_we_infer_PR_specificity_med_by_SH3_Cesareni_et_al_2002.pdf
Amino Acid Alphabets
- Simplifying amino acid alphabets by means of a branch and bound algorithm and substitution matrices, Cannata N, Toppo S, Romualdi C, Valle G, Bioinformatics. 2002 Aug;18(8):1102-8.
- attachment:Simplifying_AA_alphabets_branch_bound_substit_matrices_Cannata_2002.pdf
- Simplified amino acid alphabets for protein fold recognition and implications for folding, Murphy LR, Wallqvist A, Levy RM, Protein Eng. 2000 Mar;13(3):149-52.
- attachment:Simplified_AA_alphabets_Murphy_2000.pdf
- Iterative sequence/secondary structure search for protein homologs: comparison with amino acid sequence alignments and application to fold recognition in genome databases, Wallqvist A, Fukunishi Y, Murphy LR, Fadel A, Levy RM, Bioinformatics. 2000 Nov;16(11):988-1002.
- attachment:Iterative_structure_search_for_protein_homologs_Wallqvist_2000.pdf
PDZ Related
- PDZ domains-glue and guide., van Ham M, Hendriks W., Mol Biol Rep. 2003 Jun;30(2):69-82.
- attachment:PDZ_Domains_Glue_and_Guide_2003.pdf
- PDZ domains: structural modules for protein complex assembly., Hung AY, Sheng M., J Biol Chem. 2002 Feb 22;277(8):5699-702. Epub 2001 Dec 10.
- attachment:PDZ_Domains_Structural_Modules_2001.pdf