JET2 Viewer: a database of predicted multiple, possibly overlapping, protein–protein interaction sites for PDB structures

Hughes Ripoche (1) , Elodie Laine (1) , Nicoletta Ceres (2) , Alessandra Carbone (3, 1)

1 LCQB - Biologie Computationnelle et Quantitative = Laboratory of Computational and Quantitative Biology
2 BMSSI - Bases moléculaires et structurales des systèmes infectieux
3 IUF - Institut universitaire de France

The database JET2 Viewer, openly accessible at http://www.jet2viewer.upmc.fr/, reports putative protein binding sites for all three-dimensional (3D) structures available in the Protein Data Bank (PDB). This knowledge base was generated by applying the computational method JET 2 at large-scale on more than 20 000 chains. JET 2 strategy yields very precise predictions of interacting surfaces and unravels their evolutionary process and complexity. JET2 Viewer provides an online intelligent display, including interactive 3D visualization of the binding sites mapped onto PDB structures and suitable files recording JET 2 analyses. Predictions were evaluated on more than 15 000 experimentally characterized protein interfaces. This is, to our knowledge, the largest evaluation of a protein binding site prediction method. The overall performance of JET 2 on all interfaces are: Sen = 52.52, PPV = 51.24, Spe = 80.05, Acc = 75.89. The data can be used to foster new strategies for protein– protein interactions modulation and interaction surface redesign.

Domaines: Biochimie, Biologie Moléculaire

Hughes Ripoche, Elodie Laine, Nicoletta Ceres, Alessandra Carbone. JET2 Viewer: a database of predicted multiple, possibly overlapping, protein–protein interaction sites for PDB structures. Nucleic Acids Research, 2016, 45 (D1), pp.D236-D242. ⟨10.1093/nar/gkw1053⟩. ⟨hal-01417190⟩