2YEE

HSP90 inhibitors and drugs from fragment and virtual screening

Summary for 2YEE

Related1YES 1UY9 2CDD 1BYQ 2BSM 1OSF 2WI3 1UY8 2WI4 2BUG 2UWD 2WI7 2XHX 2BT0 1YER 2XDU 1UYG 2BZ5 2CCU 2XDS 2XDX 2XK2 2CCS 2XJJ 1UYF 1YC3 1UYI 1UYD 2BYI 2WI2 2XDL 1UY6 2VCI 2WI1 2VCJ 1YC4 2XJX 2XDK 2FWZ 2C2L 1UYH 2XJG 1UYK 2CCT 2FWY 1UYL 1UYE 2XAB 2WI6 1YC1 2XHT 1UYC 1UY7 2XHR 1YET 2JJC 2BYH 2WI5 2YE2 2YE9 2YEB 2YE7 2YE4 2YEJ 2YEC 2YE5 2YEA 2YEH 2YE6 2YED 2YEI 2YEG 2YEF 2YE8 2YE3
DescriptorHEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION, 9-ETHYL-9H-PURIN-6-YLAMINE, ... (4 entities in total)
Functional Keywordspu3, atpase, chaperone, stress response, nucleotide-binding, atp-binding, phosphoprotein, phosphorylation
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm P07900
Total number of polymer chains1
Total molecular weight28903.18
Authors
Roughley, S.D.,Hubbard, R.E.,Baker, L.M. (deposition date: 2011-03-25, release date: 2011-06-15, Last modification date: 2011-08-31)
Primary citation
Roughley, S.D.,Hubbard, R.E.
How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54:3989-, 2011
PubMed: 21561141 (PDB entries with the same primary citation)
DOI: 10.1021/JM200350G
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.3 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2988 3.9% 6.7% 8.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
170172
PDB entries from 2020-10-21