7Q5H
Keap1 compound complex
Summary for 7Q5H
Entry DOI | 10.2210/pdb7q5h/pdb |
Descriptor | Kelch-like ECH-associated protein 1, (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide, CHLORIDE ION, ... (4 entities in total) |
Functional Keywords | macrocycle complex, structural protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 64671.76 |
Authors | Johansson, P. (deposition date: 2021-11-03, release date: 2022-03-16, Last modification date: 2024-01-31) |
Primary citation | Begnini, F.,Geschwindner, S.,Johansson, P.,Wissler, L.,Lewis, R.J.,Danelius, E.,Luttens, A.,Matricon, P.,Carlsson, J.,Lenders, S.,Konig, B.,Friedel, A.,Sjo, P.,Schiesser, S.,Kihlberg, J. Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction. J.Med.Chem., 65:3473-3517, 2022 Cited by PubMed: 35108001DOI: 10.1021/acs.jmedchem.1c01975 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.31 Å) |
Structure validation
Download full validation report