2WMW

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

Summary for 2WMW

Related2WMT 2CGX 2C3J 2BRO 2BRB 2WMR 2WMU 2CGV 2BRH 2C3K 1NVR 2WMQ 1ZLT 2CGW 2BRN 2AYP 2WMX 1ZYS 2CGU 1IA8 2BR1 2BRG 1NVS 2BRM 1NVQ 2WMS 2WMV 2C3L
DescriptorSERINE/THREONINE-PROTEIN KINASE CHK1, 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE (3 entities in total)
Functional Keywordsserine/threonine-protein kinase, polymorphism, phosphoprotein, ubl conjugation, isopeptide bond, checkpoint kinase, nucleotide-binding, serine/threonine kinase, dna damage, dna repair, atp-binding, transferase, chk1, kinase, nucleus, cytoplasm, cell cycle
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationNucleus O14757
Total number of polymer chains1
Total molecular weight33355.15
Authors
Primary citation
Matthews, T.P.,Klair, S.,Burns, S.,Boxall, K.,Cherry, M.,Fisher, M.,Westwood, I.M.,Walton, M.I.,Mchardy, T.,Cheung, K.-M.J.,Van Montfort, R.,Williams, D.,Aherne, G.W.,Garrett, M.D.,Reader, J.,Collins, I.
Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52:4810-, 2009
PubMed: 19572549 (PDB entries with the same primary citation)
DOI: 10.1021/JM900314J
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.43 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2341201.8%6.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution