2YM5

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

Summary for 2YM5

Related2XF0 2BRB 2X8D 2WMR 2CGV 2BRN 2WMX 2AYP 2YER 2CGU 1NVS 2YDJ 2BRM 1NVQ 2YDI 2WMT 2CGX 2BRO 2C3J 2WMW 2WMU 2X8E 2BRH 2C3K 1NVR 2WMQ 2YM4 2CGW 1ZLT 2YEX 2YM3 1ZYS 2XEZ 2BR1 1IA8 2YDK 2BRG 2WMS 2WMV 2C3L 2X8I 2XEY 2YM8 2YM7 2YM6
DescriptorSERINE/THREONINE-PROTEIN KINASE CHK1, (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordstransferase, dna repair
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus O14757
Total number of polymer chains1
Total molecular weight33444.45
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 (2.03 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.196400 6.0%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