Structural Modelling

MODPROPEP

MODPROPEP is a structure based program for analysis and prediction of substrates for protein kinases and MHC proteins

SBSPKS

Structure based sequence analysis of polyketide synthases. (Contributed to Structural Modules)

Improved catalytic properties of a serine hydroxymethyl transferase from Idiomarina loihiensis by site directed mutagenesis

A novel glyA gene was screened from a marine bacterium, Idiomarina loihiensis encoding a thermo-stable serine hydroxymethyl transferase (SHMT; 418 AA; 45.4 kDa). The activities of wild type (WT) and mutants were analyzed against d-phenylserine using …

SBSPKSv2: structure-based sequence analysis of polyketide synthases and non-ribosomal peptide synthetases

Genome guided discovery of novel natural products has been a promising approach for identification of new bioactive compounds. SBSPKS web-server has been a valuable resource for analysis of polyketide synthase (PKS) and non-ribosomal peptide …

Getting Phosphorylated: Is it Necessary to be Solvent Accessible?

The solvent accessibility of the Ser/Thr/Tyr containing peptide stretches in the substrate proteins of various kinases are likely to play a major role in substrate recognition by various kinases. Even though some of the computational tools make use …

EFICAz2. 5: application of a high-precision enzyme function predictor to 396 proteomes

**Summary**: High-quality enzyme function annotation is essential for understanding the biochemistry, metabolism and disease processes of organisms. Previously, we developed a multi-component high-precision enzyme function predictor, EFICAz2 (enzyme …

Novel insights into the regulation of malarial calcium-dependent protein kinase 1

Calcium-dependent protein kinases (CDPKs) are major effectors of calcium signaling in apicomplexan parasites like Toxoplasma and Plasmodium and control important processes of the parasite life cycle. Despite recently reported crystal structures of …

Structure-based identification of MHC binding peptides: Benchmarking of prediction accuracy

Identification of MHC binding peptides is essential for understanding the molecular mechanism of immune response. However, most of the prediction methods use motifs/profiles derived from experimental peptide binding data for specific MHC alleles, …

SBSPKS: structure based sequence analysis of polyketide synthases

Polyketide synthases (PKSs) catalyze biosynthesis of a diverse family of pharmaceutically important secondary metabolites. Bioinformatics analysis of sequence and structural features of PKS proteins plays a crucial role in discovery of new natural …

Identification of substrates for Ser/Thr kinases using residue-based statistical pair potentials

**Motivation**: In silico methods are being widely used for identifying substrates for various kinases and deciphering cell signaling networks. However, most of the available phosphorylation site prediction methods use motifs or profiles derived from …