4E26

BRAF in complex with an organic inhibitor 7898734

Summary for 4E26

DescriptorSerine/threonine-protein kinase B-raf, 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol (3 entities in total)
Functional Keywordskinase, inhibitor, oncoprotein, melanoma, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus (By similarity) P15056
Total number of polymer chains2
Total molecular weight71138.84
Authors
Qin, J.,Xie, P.,Ventocilla, C.,Zhou, G.,Vultur, A.,Chen, Q.,Herlyn, M.,Winkler, J.,Marmorstein, R. (deposition date: 2012-03-07, release date: 2012-05-09, Last modification date: 2013-01-09)
Primary citation
Qin, J.,Xie, P.,Ventocilla, C.,Zhou, G.,Vultur, A.,Chen, Q.,Liu, Q.,Herlyn, M.,Winkler, J.,Marmorstein, R.
Identification of a Novel Family of BRAF(V600E) Inhibitors.
J.Med.Chem., 55:5220-5230, 2012
PubMed: 22537109 (PDB entries with the same primary citation)
DOI: 10.1021/jm3004416
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.55 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.253193.2%4.0%6.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4e26
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Molmil generated image of 4e26
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Molmil generated image of 4e26
rotated about y axis by 90°