4MHA

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817

Summary for 4MHA

Related4M3Q 3TCP 2BRB 3BPR 2POC 4MH7
DescriptorTyrosine-protein kinase Mer, CHLORIDE ION, 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, ... (5 entities in total)
Functional Keywordstyrosine kinase, acute lymphoblastic leukemia, rational structure-based drug design, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationMembrane ; Single-pass type I membrane protein  Q12866
Total number of polymer chains2
Total molecular weight72969.07
Authors
Primary citation
Zhang, W.,McIver, A.L.,Stashko, M.A.,DeRyckere, D.,Branchford, B.R.,Hunter, D.,Kireev, D.,Miley, M.J.,Norris-Drouin, J.,Stewart, W.M.,Lee, M.,Sather, S.,Zhou, Y.,Di Paola, J.A.,Machius, M.,Janzen, W.P.,Earp, H.S.,Graham, D.K.,Frye, S.V.,Wang, X.
Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
J.Med.Chem., 56:9693-9700, 2013
PubMed: 24219778 (PDB entries with the same primary citation)
DOI: 10.1021/jm4013888
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.59 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.29810.2%012.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution