#Download fetch nmr free

Throughout the practical, coloured text will be used to refer to questions or instructions, and/or PyMOL commands. The HADDOCK web server for data-driven biomolecular docking. The HADDOCK2.2 webserver: User-friendly integrative modeling of biomolecular complexes. For this tutorial, you will only make use of inteface residues identified from NMR chemical shift perturbation data as described in Wang et al, EMBO J (2000).įor this tutorial you will make use of the HADDOCK2.4 webserver.Ī description of the previous major version of our web server HADDOCK2.2 can be found in the following publications: These NMR experiments have also provided us with an array of data on the interaction itself. The structure of the native complex has also been determined with NMR (PDB ID 1GGR).

#Download fetch nmr free

The structures in the free form have been determined using X-ray crystallography (E2A) (PDB ID 1F3G) and NMR spectroscopy (HPr) (PDB ID 1HDN).

coli proteins involved in glucose transport: the glucose-specific enzyme IIA (E2A) and the histidine-containing phosphocarrier protein (HPr). This practical will demonstrate the use of HADDOCK for predicting the structure of a protein-protein complex from NMR chemical shift perturbation (CSP) data. Comparison with the reference structure.Submission and validation of structures.Inspecting and preparing HPR for docking.Inspecting and preparing E2A for docking.This computer practical consists of the following sections: