2YM4

Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors

Summary for 2YM4

Related2XF0 2BRB 2X8D 2WMR 2CGV 2BRN 2WMX 2YER 2AYP 2CGU 1NVS 2BRM 2YDJ 1NVQ 2WMT 2YDI 2CGX 2C3J 2BRO 2WMW 2WMU 2BRH 2X8E 2C3K 1NVR 2WMQ 1ZLT 2CGW 2YEX 2XEZ 1ZYS 1IA8 2BR1 2BRG 2YDK 2WMV 2WMS 2C3L 2X8I 2XEY 2YM3 2YM8 2YM5 2YM7 2YM6
DescriptorSERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordstransferase, dna repair, serine/threonine kinase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus O14757
Total number of polymer chains1
Total molecular weight33635.63
Authors
Primary citation
Reader, J.C.,Matthews, T.P.,Klair, S.,Cheung, K.M.J.,Scanlon, J.,Proisy, N.,Addison, G.,Ellard, J.,Piton, N.,Taylor, S.,Cherry, M.,Fisher, M.,Boxall, K.,Burns, S.,Walton, M.I.,Westwood, I.M.,Hayes, A.,Eve, P.,Valenti, M.,De Haven Brandon, A.,Box, G.,Van Montfort, R.L.M.,Williams, D.H.,Aherne, G.W.,Raynaud, F.I.,Eccles, S.A.,Garrett, M.D.,Collins, I.
Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54:8328-, 2011
PubMed: 22111927 (PDB entries with the same primary citation)
DOI: 10.1021/JM2007326
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.35 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.233800.9%12.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution