6HHR
Hsp90 in complex with 5-(2,4-Dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione
Summary for 6HHR
Entry DOI | 10.2210/pdb6hhr/pdb |
Descriptor | Heat shock protein HSP 90-alpha, 3-[2,4-bis(oxidanyl)phenyl]-4-(2-fluorophenyl)-1~{H}-1,2,4-triazole-5-thione, SULFATE ION, ... (4 entities in total) |
Functional Keywords | chaperone, atp binding |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 23662.78 |
Authors | Musil, D.,Lehman, M.,Eggenweiler, H.-M. (deposition date: 2018-08-29, release date: 2019-07-10, Last modification date: 2024-05-15) |
Primary citation | Schuetz, D.A.,Bernetti, M.,Bertazzo, M.,Musil, D.,Eggenweiler, H.M.,Recanatini, M.,Masetti, M.,Ecker, G.F.,Cavalli, A. Predicting Residence Time and Drug Unbinding Pathway through Scaled Molecular Dynamics. J.Chem.Inf.Model., 59:535-549, 2019 Cited by PubMed: 30500211DOI: 10.1021/acs.jcim.8b00614 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
Download full validation report