1WCC

screening for fragment binding by X-ray crystallography

Summary for 1WCC

Related1AQ1 1B38 1B39 1BUH 1CKP 1DI8 1DM2 1E1V 1E1X 1E9H 1F5Q 1FIN 1FQ1 1FVT 1FVV 1G5S 1GIH 1GII 1GIJ 1GY3 1GZ8 1H00 1H01 1H07 1H08 1H0V 1H0W 1H1P 1H1Q 1H1R 1H1S 1H24 1H25 1H26 1H27 1H28 1HCK 1HCL 1JST 1JSU 1JSV 1JVP 1KE5 1KE6 1KE7 1KE8 1KE9 1OGU 1OI9 1OIQ 1OIR 1OIT 1OIU 1OIY 1OKU 1OKV 1OKW 1OL1 1OL2 1P2A 1P5E 1PF8 1PKD 1PW2 1PXI 1PXJ 1PXK 1PXL 1PXM 1PXN 1PXO 1PXP 1PYE 1QMZ 1R78 1URC 1URW 1V1K 1VYW 1VYZ 1W0X 1W8C 1W98 2BHE 2BHH
DescriptorCELL DIVISION PROTEIN KINASE 2, 2-AMINO-6-CHLOROPYRAZINE (3 entities in total)
Functional Keywordscdk2, kinase, cell cycle, fragment screening, transferase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm, cytoskeleton, microtubule organizing center, centrosome P24941
Total number of polymer chains1
Total molecular weight34106.04
Authors
Cleasby, A.,O'Reilly, M.,Hartshorn, M.J.,Murray, C.W.,Tickle, I.J.,Jhoti, H.,Frederickson, M. (deposition date: 2004-11-12, release date: 2005-01-27, Last modification date: 2018-04-04)
Primary citation
Hartshorn, M.J.,Murray, C.W.,Cleasby, A.,Frederickson, M.,Tickle, I.J.,Jhoti, H.
Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48:403-, 2005
PubMed: 15658854 (PDB entries with the same primary citation)
DOI: 10.1021/JM0495778
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.2 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers70.4%8.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report