structure of HSP90 with an inhibitor bound

Summary for 4BQG

DescriptorHSP90AA1 PROTEIN, 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol (3 entities in total)
Functional Keywordschaperone
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight26082.03
Primary citation
Brasca, M.G.,Mantegani, S.,Amboldi, N.,Bindi, S.,Caronni, D.,Casale, E.,Ceccarelli, W.,Colombo, N.,De Ponti, A.,Donati, D.,Ermoli, A.,Fachin, G.,Felder, E.R.,Ferguson, R.D.,Fiorelli, C.,Guanci, M.,Isacchi, A.,Pesenti, E.,Polucci, P.,Riceputi, L.,Sola, F.,Visco, C.,Zuccotto, F.,Fogliatto, G.
Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21:7047-, 2013
PubMed: 24100158 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMC.2013.09.018
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2312003.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4bqg
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Molmil generated image of 4bqg
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Molmil generated image of 4bqg
rotated about y axis by 90°