Search bioRxivSearch

Biology subjects

Patro, L. P. P.

Publications and source records attributed to Patro, L. P. P..

2 recordsLinked to original sources

K-PAM: A unified platform to distinguish Klebsiella species K- and O-antigen types, model antigen structures and identify hypervirulent strains

A computational method has been developed to distinguish the Klebsiella species serotypes to aid in outbreak surveillance. A reliability score (estimated based on the accuracy of a specific K-type prediction against the dataset of 141 distinct K-types) average(ARS) that reflects the specificity between the Klebsiella species capsular polysaccharide biosynthesis and surface expression proteins, and their K-types has been established. ARS indicates the following order of potency in accurate serotyping: Wzx(ARS=98.5%),Wzy(ARS=97.5%),WbaP(ARS=97.2%),Wzc(ARS=96.4%),Wzb(ARS=9 4.3%),WcaJ(ARS=93.8%),Wza(ARS=79.9%) and Wzi(ARS=37.1%). Thus, Wzx, Wzy and WbaP can give more reliable K-typing compared with other proteins. A fragment-based approach has further increased the Wzi ARS from 37.1% to 80.8%. The efficacy of these 8 proteins in accurate K-typing has been confirmed by a rigorous testing and the method has been automated as K-PAM(www.iith.ac.in/K-PAM/). Testing also indicates that the use of multiple genes/proteins helps in reducing the K-type multiplicity, distinguishing the K-types that have identical K-locus(like KN3 and K35) and identifying the ancestral serotypes of Klebsiella spp. K-PAM has the facilities to O-type using Wzm(ARS=85.7%) and Wzt(ARS=85.7%) and identifies the hypervirulent Klebsiella species by the use of rmpA,rmpA2,iucABCD,iroBCDN and iutA marker genes. Yet another highlight of the server is the repository of the modeled 11 O- and 79 K - antigen 3D structures.

bioinformatics

STRIDER: Steric hindrance estimator

In silico modeling plays a vital role in the de novo designing and docking of biomacromolecules as well as in exploring their conformational dynamics. Additionally, it has a major role in acquiring the structural insights from the parameters derived from the experimental techniques such as cryo-electron microscopy. Steric hindrance is one of the important measures to validate the accuracy of the constructed model. A web user interface (WUI) namely, STRIDER (steric hindrance estimator) (www.iith.ac.in/strider/) can estimate and report pairwise inter- and intra- molecular steric hindrances using the van der Waals radius of 117 elements through a user interactive interface. STRIDER also identifies and reports the coordination number of 64 metals along with their interacting pattern in an interactive mode. STRIDER can analyze an ensemble of conformers, wherein, multiple conformers are used to circumvent sampling issue in flexible docking, understand protein folding and facilitate structure based virtual screening. Further, it generates a pymol session file that can be used for offline analysis. As STRIDER simply requires the Cartesian coordinates of the given molecule in protein data bank format, any chemical structure can be an input. AvailabilityIt can be freely accessible through: www.iith.ac.in/strider/ without any registration. Theme Of the Concept O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=113 SRC="FIGDIR/small/931550v1_ufig1.gif" ALT="Figure 1"> View larger version (27K): org.highwire.dtl.DTLVardef@7be933org.highwire.dtl.DTLVardef@10b2e30org.highwire.dtl.DTLVardef@1056b7eorg.highwire.dtl.DTLVardef@d42f28_HPS_FORMAT_FIGEXP M_FIG C_FIG

bioinformatics