3MNR

Crystal Structure of Benzamide SNX-1321 bound to Hsp90

Summary for 3MNR

Related3D0B
DescriptorHeat shock protein HSP 90-alpha, 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide (3 entities in total)
Functional Keywordshsp90, heat shock protein 90, protein-ligand complex, chaperone
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm P07900
Total number of polymer chains1
Total molecular weight26634.93
Authors
Veal, J.M.,Fadden, P.,Huang, K.H.,Rice, J.,Hall, S.E.,Haytstead, T.A. (deposition date: 2010-04-22, release date: 2010-08-11, Last modification date: 2011-07-13)
Primary citation
Fadden, P.,Huang, K.H.,Veal, J.M.,Steed, P.M.,Barabasz, A.F.,Foley, B.,Hu, M.,Partridge, J.M.,Rice, J.,Scott, A.,Dubois, L.G.,Freed, T.A.,Silinski, M.A.,Barta, T.E.,Hughes, P.F.,Ommen, A.,Ma, W.,Smith, E.D.,Spangenberg, A.W.,Eaves, J.,Hanson, G.J.,Hinkley, L.,Jenks, M.,Lewis, M.,Otto, J.,Pronk, G.J.,Verleysen, K.,Haystead, T.A.,Hall, S.E.
Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90.
Chem.Biol., 17:686-694, 2010
PubMed: 20659681 (PDB entries with the same primary citation)
DOI: 10.1016/j.chembiol.2010.04.015
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.9 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers101.7%1.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3mnr
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Molmil generated image of 3mnr
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Molmil generated image of 3mnr
rotated about y axis by 90°