4CWQ

Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor

Summary for 4CWQ

Related4CWF 4CWN 4CWO 4CWP 4CWR 4CWS 4CWT
DescriptorHEAT SHOCK PROTEIN HSP 90-ALPHA, 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide (3 entities in total)
Functional Keywordschaperone
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm  P07900
Total number of polymer chains1
Total molecular weight26209.33
Authors
Primary citation
Casale, E.,Amboldi, N.,Brasca, M.G.,Caronni, D.,Colombo, N.,Dalvit, C.,Felder, E.R.,Fogliatto, G.,Galvani, A.,Isacchi, A.,Polucci, P.,Riceputi, L.,Sola, F.,Visco, C.,Zuccotto, F.,Casuscelli, F.
Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors.
Bioorg.Med.Chem., 22:4135-, 2014
PubMed: 24980703 (PDB entries with the same primary citation)
DOI: 10.1016/J.BMC.2014.05.056
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.239201.7%0.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution