5K0X

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541

Summary for 5K0X

Related5K0K
DescriptorTyrosine-protein kinase Mer, CHLORIDE ION, (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, ... (4 entities in total)
Functional Keywordsmacrocyclic, drug design, fibrinolytic agents, protein kinase inhibitors, proto-oncogene proteins, pyrimidines, receptor protein-tyrosine kinases, structure-activity relationship, thrombosis, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Cellular locationMembrane ; Single-pass type I membrane protein  Q12866
Total number of polymer chains2
Total molecular weight72899.28
Authors
Primary citation
McIver, A.L.,Zhang, W.,Liu, Q.,Jiang, X.,Stashko, M.A.,Nichols, J.,Miley, M.J.,Norris-Drouin, J.,Machius, M.,DeRyckere, D.,Wood, E.,Graham, D.K.,Earp, H.S.,Kireev, D.,Frye, S.V.,Wang, X.
Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors.
ChemMedChem, 12:207-213, 2017
PubMed: 28032464 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.201600589
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.231 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23940.2%1.3%10.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report