3B2W

Crystal structure of pyrimidine amide 11 bound to Lck

Summary for 3B2W

Entry DOI	10.2210/pdb3b2w/pdb
Related	2OFV
Descriptor	Proto-oncogene tyrosine-protein kinase LCK, N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide (3 entities in total)
Functional Keywords	lck, kinase domain, alternative splicing, atp-binding, chromosomal rearrangement, cytoplasm, disease mutation, host-virus interaction, lipoprotein, membrane, myristate, nucleotide-binding, palmitate, phosphorylation, proto-oncogene, sh2 domain, sh3 domain, transferase, tyrosine-protein kinase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P06239
Total number of polymer chains	1
Total formula weight	32682.26
Authors	Huang, X. (deposition date: 2007-10-19, release date: 2007-12-18, Last modification date: 2023-08-30)
Primary citation	Deak, H.L.,Newcomb, J.R.,Nunes, J.J.,Boucher, C.,Cheng, A.C.,DiMauro, E.F.,Epstein, L.F.,Gallant, P.,Hodous, B.L.,Huang, X.,Lee, J.H.,Patel, V.F.,Schneider, S.,Turci, S.M.,Zhu, X. N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR. Bioorg.Med.Chem.Lett., 18:1172-1176, 2008 Cited by PubMed: 18083554 DOI: 10.1016/j.bmcl.2007.11.123 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation