2P2Idb v2.0 Description

2P2IDB is a hand-curated database dedicated to the structure of protein-protein complexes with known small molecule inhibitors. We have gathered from the PDB, 26 PPIs and 242 small molecule inhibitors found at the interface (Basse et al., 2016; Basse et al., 2013; Bourgeas et al., 2010). Interfaces in 2P2IDB have been analyzed in terms of geometrical parameters, atom and residue properties, buried accessible surface area and other biophysical parameters and compared to those of representative datasets of heterodimeric complexes. The 26 complexes have been classified into 3 classes based on the number of segments at the interface and target properties. Class 1 corresponds to protein-peptide complexes, Class 2 corresponds to globular protein-protein complexes and Class 3 corresponds to Bromodomain/Histone protein-protein complexes.
This web server allows the user to browse the 2P2I database, to retrieve precalculated structural information of PPI interfaces and to view interactively protein-protein and protein-ligand complexes through JSmol applets.

To view the latest entries that will be added to the 2P2I database check this out.

Search database

 

By Complex

Class 1 (Protein/Peptide)

 

Class 2 (Protein/Protein)

 

Class 3 (Bromodomains)

 
 
 

By Ligand

MOE DRAGON
 
MOE Descriptors
 Molecular Weight min Max
 Hbond Acceptors min Max
 Hbond Donors min Max
 Number of Rings min Max
 Rotatable Bonds min Max
 Multiple Bonds min Max
 TPSA min Max
 LogP min Max
 Kd min Max
 Lipinski Score min Max
 
DRAGON Descriptors
 Molecular Weight min Max
 Hbond Acceptors min Max
 Hbond Donors min Max
 Number of Rings min Max
 Rotatable Bonds min Max
 Multiple Bonds min Max
 TPSA min Max
 MLogP min Max
 Fsp3 min Max
 Kd min Max
 Lipinski Score min Max
 Oprea Score min Max
 Veber Score min Max
 
 
 

 

The database is maintained by Marie-Jeanne Basse

2P2Idb v2: Update of a Structural Database Dedicated to Orthosteric Modulation of Protein-Protein Interactions Basse MJ, Betzi S, Morelli X, Roche P. Database update 2016. DOI : 10.1093/database/baw007

2P2Idb: A Structural Database Dedicated to Orthosteric Modulation of Protein-Protein Interactions Basse MJ, Betzi S, Bourgeas R, Bouzidi S, Chetrit B, Hamon V, Morelli X, Roche P. Nucleic Acid Research 2013;41:D824-827. Pubmed ID: 23203891

   Atomic Analysis of Protein-Protein Interfaces with Known Inhibitors: The 2P2I database. Raphael Bourgeas, Marie-Jeanne Basse, Xavier Morelli and Philippe Roche. PLoS ONE - 2010;5(3): e9598. Pubmed ID: 20231898