2BT0

Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design

Summary for 2BT0

Related1BYQ 1OSF 1UY6 1UY7 1UY8 1UY9 1UYC 1UYD 1UYE 1UYF 1UYG 1UYH 1UYI 1UYK 1UYL 1YC1 1YC3 1YC4 1YER 1YES 1YET 2BSM
DescriptorHEAT SHOCK PROTEIN HSP90-ALPHA, 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL (3 entities in total)
Functional Keywordsatp-binding, chaperone, heat shock, phosphorylation
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus  P07900
Total number of polymer chains2
Total molecular weight53645.92
Authors
Dymock, B.W.,Barril, X.,Brough, P.A.,Cansfield, J.E.,Massey, A.,McDonald, E.,Hubbard, R.E.,Surgenor, A.,Roughley, S.D.,Webb, P.,Workman, P.,Wright, L.,Drysdale, M.J. (deposition date: 2005-05-24, release date: 2005-06-02, Last modification date: 2018-02-28)
Primary citation
Dymock, B.W.,Barril, X.,Brough, P.A.,Cansfield, J.E.,Massey, A.,McDonald, E.,Hubbard, R.E.,Surgenor, A.,Roughley, S.D.,Webb, P.,Workman, P.,Wright, L.,Drysdale, M.J.
Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.
J. Med. Chem., 48:4212-4215, 2005
PubMed: 15974572 (PDB entries with the same primary citation)
DOI: 10.1021/jm050355z
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.9 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.24740.2%3.4%1.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution