Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor

Summary for 3WHA

DescriptorHeat shock protein HSP 90-alpha, GLYCEROL, 4-{[4-amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide, ... (5 entities in total)
Functional Keywordschaperone, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P07900
Total number of polymer chains2
Total molecular weight52524.12
Fukami, T.A.,Ono, N. (deposition date: 2013-08-23, release date: 2014-01-29)
Primary citation
Suda, A.,Kawasaki, K.,Komiyama, S.,Isshiki, Y.,Yoon, D.-O.,Kim, S.-J.,Na, Y.-J.,Hasegawa, K.,Fukami, T.A.,Sato, S.,Miura, T.,Ono, N.,Yamazaki, T.,Saitoh, R.,Shimma, N.,Shiratori, Y.,Tsukuda, T.
Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors
Bioorg.Med.Chem., 22:892-905, 2014
PubMed: 24369839 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmc.2013.11.036
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.203100.6%4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report