2XK2

Structure of HSP90 with small molecule inhibitor bound

Summary for 2XK2

Related2CDD 1YES 1UY9 1BYQ 2BSM 1OSF 2WI3 1UY8 2BUG 2WI4 2UWD 2XHX 2WI7 2BT0 1YER 2XDU 1UYG 2BZ5 2CCU 2XDS 2XDX 2CCS 1UYF 1YC3 1UYI 2XJJ 1UYD 2BYI 2XDL 2WI2 2VCI 1UY6 2WI1 2VCJ 1YC4 2XJX 2C2L 2FWZ 2XDK 1UYH 2XJG 1UYK 2CCT 2FWY 1UYL 1UYE 2WI6 2XAB 1YC1 2XHR 2XHT 1UYC 1UY7 1YET 2JJC 2BYH 2WI5
DescriptorHEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ... (4 entities in total)
Functional Keywordschaperone, stress response
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm P07900
Total number of polymer chains1
Total molecular weight28410.84
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 (1.95 Å)
NMR Information
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2701705.4%1.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution