4CD0

Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol

Summary for 4CD0

Related4CCB 4CCU
DescriptorALK TYROSINE KINASE RECEPTOR, (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol (3 entities in total)
Functional Keywordstransferase, receptor tyrosine kinase, inhibitor
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight39086.7
Authors
McTigue, M.,Deng, Y.,Liu, W.,Brooun, A.,Stewart, A. (deposition date: 2013-10-29, release date: 2014-01-29, 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.,Cui, J.J.,Dack, K.N.,Deal, J.G.,Deng, Y.,Dinh, D.M.,Engstrom, L.D.,He, M.,Hoffman, J.,Hoffman, R.L.,Shen, H.,Johnson, P.,Kania, R.S.,Lam, H.,Lam, J.L.,Le, P.,Li, Q.,Lingardo, L.,Liu, W.,West Lu, M.,Mctigue, M.A.,Palmer, C.L.,Richardson, P.F.,Sach, N.W.,Smeal, T.,Smith, G.L.,Stewart, A.E.,Timofeevski, S.L.,Tsaparikos, K.,Wang, H.,Zhu, H.,Zhu, J.,Zou, H.Y.,Edwards, M.
The Design of Potent and Selective Inhibitors to Overcome Clinical Alk 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
X-RAY DIFFRACTION (2.23 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliersRSRZ outliers12 0.7% 1.2% 5.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4cd0
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Molmil generated image of 4cd0
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Molmil generated image of 4cd0
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