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Title: | Data set of intrinsically disordered proteins analysed at a local protein conformation level | Authors: | Melarkode Vattekatte, Akhila Narwani, Tarun Jairaj Floch, Aline Maljković, Mirjana Bisoo, Soubika Shinada, Nicolas K Kranjc, Agata Gelly, Jean-Christophe Srinivasan, Narayanaswamy Mitić, Nenad de Brevern, Alexandre G |
Affiliations: | Informatics and Computer Science | Keywords: | Ensembles;Entropy;Local protein conformation;PDB;Protein disorder;Structural alphabet | Issue Date: | 2020 | Journal: | Data in brief | Abstract: | Intrinsic Disorder Proteins (IDPs) have become a hot topic since their characterisation in the 90s. The data presented in this article are related to our research entitled "A structural entropy index to analyse local conformations in Intrinsically Disordered Proteins" published in Journal of Structural Biology [1]. In this study, we quantified, for the first time, continuum from rigidity to flexibility and finally disorder. Non-disordered regions were also highlighted in the ensemble of disordered proteins. This work was done using the Protein Ensemble Database (PED), which is a useful database collecting series of protein structures considered as IDPs. The data set consists of a collection of cleaned protein files in classical pdb format that can be readily used as an input with most automatic analysis software. The accompanying data include the coding of all structural information in terms of a structural alphabet, namely Protein Blocks (PBs). An entropy index derived from PBs that allows apprehending the continuum between protein rigidity to flexibility to disorder is included, with information from secondary structure assignment, protein accessibility and prediction of disorder from the sequences. The data may be used for further structural bioinformatics studies of IDPs. It can also be used as a benchmark for evaluating disorder prediction methods. |
URI: | https://research.matf.bg.ac.rs/handle/123456789/333 | DOI: | 10.1016/j.dib.2020.105383 |
Appears in Collections: | Research outputs |
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