4UXL

Structure of Human ROS1 Kinase Domain in Complex with PF-06463922

Summary for 4UXL

DescriptorPROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS, (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile (3 entities in total)
Functional Keywordstransferase, inhibitor, ros
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight37420.9
Authors
McTigue, M.,Deng, Y.,Liu, W.,Brooun, A.,Stewart, A. (deposition date: 2014-08-25, release date: 2015-03-11, Last modification date: 2019-05-08)
Primary citation
Zou, H.Y.,Li, Q.,Engstrom, L.D.,West, M.,Appleman, V.,Wong, K.A.,Mctigue, M.,Deng, Y.,Liu, W.,Brooun, A.,Timofeevski, S.,Mcdonnell, S.R.P.,Jiang, P.,Falk, M.D.,Lappin, P.B.,Affolter, T.,Nichols, T.,Hu, W.,Lam, J.,Johnson, T.W.,Smeal, T.,Charest, A.,Fantin, V.R.
Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112:3493-, 2015
PubMed: 25733882 (PDB entries with the same primary citation)
DOI: 10.1073/PNAS.1420785112
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.4 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.28218 1.1% 6.3% 3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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More Biological unit images

Molmil generated image of 4uxl
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Molmil generated image of 4uxl
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(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (4uxl.pdb1.gz [100.77 KB])