Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 3.

Summary for 6DKW

Related6DKB 6DKG 6DKI
DescriptorTyrosine-protein kinase receptor, 5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide (3 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 chains2
Total molecular weight71208.07
Greasley, S.E.,Brown, D. (deposition date: 2018-05-31, 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

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.26880.9%9.0%4.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-08-05