In silico identification of functional regions in proteins

نویسندگان

  • Guy Nimrod
  • Fabian Glaser
  • David Steinberg
  • Nir Ben-Tal
  • Tal Pupko
چکیده

MOTIVATION In silico prediction of functional regions on protein surfaces, i.e. sites of interaction with DNA, ligands, substrates and other proteins, is of utmost importance in various applications in the emerging fields of proteomics and structural genomics. When a sufficient number of homologs is found, powerful prediction schemes can be based on the observation that evolutionarily conserved regions are often functionally important, typically, only the principal functionally important region of the protein is detected, while secondary functional regions with weaker conservation signals are overlooked. Moreover, it is challenging to unambiguously identify the boundaries of the functional regions. METHODS We present a new methodology, called PatchFinder, that automatically identifies patches of conserved residues that are located in close proximity to each other on the protein surface. PatchFinder is based on the following steps: (1) Assignment of conservation scores to each amino acid position on the protein surface. (2) Assignment of a score to each putative patch, based on its likelihood to be functionally important. The patch of maximum likelihood is considered to be the main functionally important region, and the search is continued for non-overlapping patches of secondary importance. RESULTS We examined the accuracy of the method using the IGPS enzyme, the SH2 domain and a benchmark set of 112 proteins. These examples demonstrated that PatchFinder is capable of identifying both the main and secondary functional patches. AVAILABILITY The PatchFinder program is available at: http://ashtoret.tau.ac.il/~nimrodg/

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

OprF and OprL Conjugate as Vaccine Candidates against Pseudomonas aeruginosa; an in Silico Study

Introduction: Vaccine studies against Pseudomonas aeruginosa have often focused on outer membrane proteins (OPRs) due to their potent stimulation of the immune response. Using major outer membrane proteins of cell walls (mOMPs) of P. aeruginosa and other Gram-negative bacteria actively stimulate the immune system without any toxic side effects. Moreover, these antigens show immunological cross-...

متن کامل

In-silico study to identify the pathogenic single nucleotide polymorphisms in the coding region of CDKN2A gene

Background: CDKN2A, encoding two important tumor suppressor proteins p16 and p14, is a tumor suppressor gene. Mutations in this gene and subsequently the defect in p16 and p14 proteins lead to the downregulation of RB1/p53 and cancer malignancy. To identify the structural and functional effects of mutations, various powerful bioinformatics tools are available. The aim of this study is the ident...

متن کامل

Functional Annotation of Two Hypothetical Proteins Reveals Valuable Proteins Involved in Response to Salinity: An in silico Approach

Through the exponential development in the specification of sequences and structures of proteins by genome sequencing and structural genomics approaches, there is a growing demand for valid bioinformatics methods to define these proteins function. In this study, our objective is to identify the function of unknown proteins from UCB-1 pistachio rootstock and specify their class...

متن کامل

In silico investigation of lactoferrin protein characterizations for the prediction of anti-microbial properties

Lactoferrin (Lf) is an iron-binding multi-functional glycoprotein which has numerous physiological functions such as iron transportation, anti-microbial activity and immune response. In this study, different in silico approaches were exploited to investigate Lf protein properties in a number of mammalian species. Results showed that the iron-binding site, DNA and RNA-binding sites, signal pepti...

متن کامل

In silico identification of epitopes from house cat and dog proteins as peptide immunotherapy candidates based on human leukocyte antigen binding affinity

The objective of this descriptive study was to determine Felis domesticus (cat) and Canis familiaris (dog) protein epitopes that bind strongly to selected HLA class II alleles to identify synthetic vaccine candidate epitopes and to identify individuals/populations who are likely to respond to vaccines. FASTA amino acid sequences of experimentally validated allergenic proteins of house cat and d...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • Bioinformatics

دوره 21 Suppl 1  شماره 

صفحات  -

تاریخ انتشار 2005