scispace - formally typeset
Open AccessJournal ArticleDOI

ProSA-web: interactive web service for the recognition of errors in three-dimensional structures of proteins.

Reads0
Chats0
TLDR
The quality scores of a protein are displayed in the context of all known protein structures and problematic parts of a structure are shown and highlighted in a 3D molecule viewer in the ProSA-web service.
Abstract
A major problem in structural biology is the recognition of errors in experimental and theoretical models of protein structures. The ProSA program (Protein Structure Analysis) is an established tool which has a large user base and is frequently employed in the refinement and validation of experimental protein structures and in structure prediction and modeling. The analysis of protein structures is generally a difficult and cumbersome exercise. The new service presented here is a straightforward and easy to use extension of the classic ProSA program which exploits the advantages of interactive web-based applications for the display of scores and energy plots that highlight potential problems spotted in protein structures. In particular, the quality scores of a protein are displayed in the context of all known protein structures and problematic parts of a structure are shown and highlighted in a 3D molecule viewer. The service specifically addresses the needs encountered in the validation of protein structures obtained from X-ray analysis, NMR spectroscopy and theoretical calculations. ProSA-web is accessible at https://prosa.services.came.sbg.ac.at.

read more

Citations
More filters
Book

Evolutionary Bioinformatics

TL;DR: This research presents a novel probabilistic method called “spot-time PCR” that allows for real-time analysis of the response of the immune system to natural disasters.
Journal ArticleDOI

Exocyst SEC3 and phosphoinositides define sites of exocytosis in pollen tube initiation and growth

TL;DR: It is shown that a sec3a exocyst subunit null mutant cannot be transmitted through the male gametophyte due to a defect in pollen tube growth, and differential regulation of the exocytotic machinery depending on pollenTube growth modes is suggested.
Journal ArticleDOI

Prp8, the pivotal protein of the spliceosomal catalytic center, evolved from a retroelement-encoded reverse transcriptase.

TL;DR: Prp8 may have evolved by acquiring nucleic acid-binding domains from inactivated retroelements, and their present-day role may be in maintaining proper conformation of the bound RNA cofactors and substrates of the splicing reaction.
Journal ArticleDOI

New Aryl Hydrocarbon Receptor Homology Model Targeted To Improve Docking Reliability

TL;DR: A new model based on holo X-ray structures of the HIF-2α PAS B domain, targeted to improve the accuracy of the binding site for molecular docking applications, is developed and the ability of the proposed approach to reproduce the different affinities of TCDD for AhRs of different species was confirmed.
References
More filters
Journal ArticleDOI

The Protein Data Bank

TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI

Recognition of errors in three‐dimensional structures of proteins

TL;DR: Techniques based on knowledge based mean fields which can be used to judge the quality of protein folds are presented, used to identify misfolded structures as well as faulty parts of structural models.
Journal ArticleDOI

Structure of a bacterial multidrug ABC transporter

TL;DR: The observed, outward-facing conformation reflects the ATP-bound state, with the two nucleotide-binding domains in close contact and the two transmembrane domains forming a central cavity—presumably the drug translocation pathway—that is shielded from the inner leaflet of the lipid bilayer and from the cytoplasm, but exposed to the outer leaflet and the extracellular space.
Journal ArticleDOI

Calculation of conformational ensembles from potentials of mean force. An approach to the knowledge-based prediction of local structures in globular proteins.

TL;DR: A prototype of a new approach to the folding problem of polypeptide chains based on the analysis of known protein structures, which derives the energy potentials for the atomic interactions of all amino acid residue pairs as a function of the distance between the involved atoms is presented.
Journal ArticleDOI

Structure of MsbA from E. coli: A Homolog of the Multidrug Resistance ATP Binding Cassette (ABC) Transporters

TL;DR: The structure of MsbA can serve as a model for the MDR-ABC transporters that confer multidrug resistance to cancer cells and infectious microorganisms.
Related Papers (5)