2XDL

Structure of HSP90 with small molecule inhibitor bound

Summary for 2XDL

Related2CDD 1YES 1UY9 1BYQ 2BSM 1OSF 2WI3 1UY8 2BUG 2WI4 2UWD 2WI7 2BT0 1YER 1UYG 2CCU 2BZ5 2CCS 1UYF 1YC3 1UYI 1UYD 2BYI 2WI2 2VCI 1UY6 2WI1 2VCJ 1YC4 2C2L 2FWZ 1UYK 1UYH 2CCT 2FWY 1UYE 1UYL 2WI6 2XAB 1YC1 1UYC 1UY7 1YET 2JJC 2BYH 2WI5 2XDK
DescriptorHEAT SHOCK PROTEIN HSP 90-ALPHA, 2-METHYL-4-DIETHYLAMIDE-PHENOL (3 entities in total)
Functional Keywordschaperone
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm P07900
Total number of polymer chains1
Total molecular weight28182.6
Authors
Primary citation
Murray, C.W.,Carr, M.G.,Callaghan, O.,Chessari, G.,Congreve, M.,Cowan, S.,Coyle, J.E.,Downham, R.,Figueroa, E.,Frederickson, M.,Graham, B.,Mcmenamin, R.,O'Brien, M.A.,Patel, S.,Phillips, T.R.,Williams, G.,Woodhead, A.J.,Woolford, A.J.A.
Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53:5942-, 2010
PubMed: 20718493 (PDB entries with the same primary citation)
DOI: 10.1021/JM100059D
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.98 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2473 0.5% 1.7% 1.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
169963
PDB entries from 2020-10-14