The complex structure of Braf V600E kinase domain with a novel Braf inhibitor

Summary for 4R5Y

DescriptorSerine/threonine-protein kinase B-raf, 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one (2 entities in total)
Functional Keywordskinase, signal transduction, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus  P15056
Total number of polymer chains2
Total molecular weight67607.11
Feng, Y.,Peng, H.,Zhang, Y.,Liu, Y.,Wei, M. (deposition date: 2014-08-22, release date: 2016-02-24, Last modification date: 2017-11-22)
Primary citation
Tang, Z.,Yuan, X.,Du, R.,Cheung, S.H.,Zhang, G.,Wei, J.,Zhao, Y.,Feng, Y.,Peng, H.,Zhang, Y.,Du, Y.,Hu, X.,Gong, W.,Liu, Y.,Gao, Y.,Liu, Y.,Hao, R.,Li, S.,Wang, S.,Ji, J.,Zhang, L.,Li, S.,Sutton, D.,Wei, M.,Zhou, C.,Wang, L.,Luo, L.
BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14:2187-2197, 2015
PubMed: 26208524 (PDB entries with the same primary citation)
DOI: 10.1158/1535-7163.MCT-15-0262
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.30860.4%4.5%0.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution