6DKI

Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19.

Summary for 6DKI

Related6DKB 6DKG
DescriptorHigh affinity nerve growth factor receptor, 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide, ... (4 entities in total)
Functional Keywordsinhibitor tyrosine kinase, transferase, pan-trk kinase, treatment for pain, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight36813.16
Authors
Greasley, S.E.,Johnson, E.,Kraus, M.L.,Cronin, C.N. (deposition date: 2018-05-29, release date: 2018-07-11, Last modification date: 2018-08-15)
Primary citation
Bagal, S.K.,Andrews, M.,Bechle, B.M.,Bian, J.,Bilsland, J.,Blakemore, D.C.,Braganza, J.F.,Bungay, P.J.,Corbett, M.S.,Cronin, C.N.,Cui, J.J.,Dias, R.,Flanagan, N.J.,Greasley, S.E.,Grimley, R.,James, K.,Johnson, E.,Kitching, L.,Kraus, M.L.,McAlpine, I.,Nagata, A.,Ninkovic, S.,Omoto, K.,Scales, S.,Skerratt, S.E.,Sun, J.,Tran-Dube, M.,Waldron, G.J.,Wang, F.,Warmus, J.S.
Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61:6779-6800, 2018
PubMed: 29944371 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b00633
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.11 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.226201.3%3.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report