Crystal structure of pyrazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)

Summary for 3AC8

Related3LCK 3AC1 3AC2 3AC3 3AC4 3AC5 3ACJ 3ACK
DescriptorProto-oncogene tyrosine-protein kinase LCK, SULFATE ION, 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... (4 entities in total)
Functional Keywordstyrosine-protein kinase, atp-binding, phosphorylation, signal transduction, alternative splicing, kinase, sh2 domain, sh3 domain, transferase
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm  P06239
Total number of polymer chains1
Total molecular weight33697.24
Tsuji, E. (deposition date: 2009-12-29, release date: 2010-06-30, Last modification date: 2011-07-13)
Primary citation
Ozawa, M.,Ozawa, T.,Tsuji, E.,Okazaki, K.,Takeda, K.
Ab initio fragment molecular orbital study of ligand binding to leukocyte-specific protein tyrosine (LCK) kinase
To be Published,
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.32115 0.4% 3.8% 11.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21