5JFS

Crystal structure of TrkA in complex with PF-00593174

Summary for 5JFS

Related5JFV 5JFX 5JFW
DescriptorHigh affinity nerve growth factor receptor, N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea (3 entities in total)
Functional Keywordstrka inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationCell membrane ; Single-pass type I membrane protein  P04629
Total number of polymer chains1
Total molecular weight35552.98
Authors
Jayasankar, J.,Brown, D.,Skerratt, S.,Kurumbail, R. (deposition date: 2016-04-19, release date: 2017-03-01)
Primary citation
Skerratt, S.E.,Andrews, M.,Bagal, S.K.,Bilsland, J.,Brown, D.,Bungay, P.J.,Cole, S.,Gibson, K.R.,Jones, R.,Morao, I.,Nedderman, A.,Omoto, K.,Robinson, C.,Ryckmans, T.,Skinner, K.,Stupple, P.,Waldron, G.
The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain.
J. Med. Chem., 59:10084-10099, 2016
PubMed: 27766865 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b00850
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.07 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.18630.4%4.3%8.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution