Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib

Summary for 2YFX

Related2XP2 2YHV 4ANL 4ANQ 4CCB 4CCU 4CD0
DescriptorTYROSINE-PROTEIN KINASE RECEPTOR, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine (3 entities in total)
Functional Keywordsnucleotide-binding, transferase, receptor
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight37377.73
McTigue, M.,Deng, Y.,Liu, W.,Brooun, A. (deposition date: 2011-04-08, release date: 2011-05-04, Last modification date: 2019-05-08)
Primary citation
Huang, Q.,Johnson, T.W.,Bailey, S.,Brooun, A.,Bunker, K.D.,Burke, B.J.,Collins, M.R.,Cook, A.S.,Cui, J.J.,Dack, K.N.,Deal, J.G.,Deng, Y.,Dinh, D.,Engstrom, L.D.,He, M.,Hoffman, J.,Hoffman, R.L.,Johnson, P.S.,Kania, R.S.,Lam, H.,Lam, J.L.,Le, P.T.,Li, Q.,Lingardo, L.,Liu, W.,Lu, M.W.,Mctigue, M.,Palmer, C.L.,Richardson, P.F.,Sach, N.W.,Shen, H.,Smeal, T.,Smith, G.L.,Stewart, A.E.,Timofeevski, S.,Tsaparikos, K.,Wang, H.,Zhu, H.,Zhu, J.,Zou, H.Y.,Edwards, M.P.
Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57:1170-, 2014
PubMed: 24432909 (PDB entries with the same primary citation)
DOI: 10.1021/JM401805H
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22913 0.7% 1.2% 5.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2yfx
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Molmil generated image of 2yfx
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Molmil generated image of 2yfx
rotated about y axis by 90°