External GPCR sites¶
GPCRM is a novel method for fast and accurate generation of GPCR models using averaging of multiple template structures and profile-profile comparison. In particular, GPCRM is the first GPCR structure predictor incorporating two distinct loop modeling techniques: Modeller and Rosetta together with the filtering of models based on the Z-coordinate.
To assist structure-based approaches in drug design, we have processed the PDB to identify binding sites suitable for the docking of a drug-like ligand and we have so created a database called sc-PDB. The sc-PDB database provides separated MOL2 files for the ligand, its binding site and the corresponding protein chain(s). Ions and cofactors at the vicinity of the ligand are included in the protein.
The GPCR-Sequence-Structure-Feature-Extractor (SSFE) database provides template suggestions and homology models of the helical regions of 5025 family A GPCRs. SSFE is based on our published workflow for identifying key sequence and structural motifs in family A GPCRs which is used to guide template selection and build homology models.
This webtool performs automatic homology modeling and ligand docking of GPCR receptors. It uses HHsearch package 1.5.1 for performing sequence alignment. Only GPCR templates are chosen to build 3D model of given sequence by using Modeller 9.10. The obtained 3D model can be verified also with the VADAR server, and then docked with ligands uploaded by users with both Autodock VINA or HADDOCK. Binding pockets can be predicted by the FPOCKET, and structural alignment of models needed for VINA docking is performed by LOVOALIGN.
This server was created to allow any researcher with interest in GPCRs to obtain the most accurate structural and dynamic information for a given receptor. Here, you can generate a homology-based 3D model of your query GPCR sequence, and/or further equilibrate your GPCR structure with our all-atom Molecular Dynamics simulation protocol.
Founded in 1959 as a section of the International Union of Physiological Sciences, the International Union of Basic and Clinical Pharmacology (IUPHAR) has been independent since 1966. IUPHAR is a member of the International Council for Science (ICSU) and participates in the work of its scientific committees. It receives international recognition, particularly by the United Nations Educational, Scientific and Cultural Organization (UNESCO).
The Dr. GPCR Ecosystem is a website aiming to connect the general GPCR community through various initiatives such as Cafe and Connect events to promote networking, product and reagent knowledge sharing, as well as talking science and business. Similarly, the GPCR Club on LinkedIn and the very first Podcast dedicated to GPCRs are meant to share information, learn the latest and greatest on GPCR research. Dr. GPCR also seeks to connect GPCR Consultants with clients and generate cohesion in the international GPCR community at large.