2CCS

HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)- BENZENE-1,2-DIOL

Summary for 2CCS

Related1BYQ 1OSF 1UY6 1UY7 1UY8 1UY9 1UYC 1UYD 1UYE 1UYF 1UYG 1UYH 1UYI 1UYK 1UYL 1YC1 1YC3 1YC4 1YER 1YES 1YET 2BSM 2BT0 2BYH 2BYI 2BZ5 2C2L 2CCT 2CCU
DescriptorHEAT SHOCK PROTEIN HSP-90 ALPHA, 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL (3 entities in total)
Functional Keywordsheat-shock protein-complex, hsp90, atpase, pyrazole, chaperone, atp-binding, heat shock, nucleotide-binding, phosphorylation
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus  P07900
Total number of polymer chains1
Total molecular weight26910.54
Authors
Barril, X.,Beswick, M.C.,Collier, A.,Drysdale, M.J.,Dymock, B.W.,Fink, A.,Grant, K.,Howes, R.,Jordan, A.M.,Massey, A.,Surgenor, A.,Wayne, J.,Workman, P.,Wright, L. (deposition date: 2006-01-18, release date: 2006-02-22, Last modification date: 2018-03-28)
Primary citation
Barril, X.,Beswick, M.C.,Collier, A.,Drysdale, M.J.,Dymock, B.W.,Fink, A.,Grant, K.,Howes, R.,Jordan, A.M.,Massey, A.,Surgenor, A.,Wayne, J.,Workman, P.,Wright, L.
4-Amino derivatives of the Hsp90 inhibitor CCT018159.
Bioorg. Med. Chem. Lett., 16:2543-2548, 2006
PubMed: 16480864 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2006.01.099
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.79 Å)
NMR Information
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Structure validation

ClashscoreRamachandran outliersSidechain outliers71.0%3.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2ccs
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Molmil generated image of 2ccs
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Molmil generated image of 2ccs
rotated about y axis by 90°