3Q4C

Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292

Summary for 3Q4C

DescriptorSerine/threonine-protein kinase B-raf, [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) (2 entities in total)
Functional Keywordskinase, inhibitor, oncoprotein, melanoma, kinase-kinase inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus (By similarity) P15056
Total number of polymer chains2
Total molecular weight70994.2
Authors
Xie, P.,Streu, C.,Qin, J.,Pregman, H.,Pagano, N.,Meggers, E.,Marmorstein, R. (deposition date: 2010-12-23, release date: 2011-03-02, Last modification date: 2011-07-13)
Primary citation
Xie, P.,Streu, C.,Qin, J.,Bregman, H.,Pagano, N.,Meggers, E.,Marmorstein, R.
The crystal structure of BRAF in complex with an organoruthenium inhibitor reveals a mechanism for inhibition of an active form of BRAF kinase.
Biochemistry, 48:5187-5198, 2009
PubMed: 19371126 (PDB entries with the same primary citation)
DOI: 10.1021/bi802067u
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (3.2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.217195.0%5.0%1.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution