4LUE

Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002)

Summary for 4LUE

Entry DOI	10.2210/pdb4lue/pdb
Related	4LL5 4LM5 4LMU 4LUD
Descriptor	Tyrosine-protein kinase HCK, CALCIUM ION, 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, ... (7 entities in total)
Functional Keywords	cocrystallization, skf86002, fluorescence, inhibitor screening, kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	105554.22
Authors	Parker, L.J.,Tanaka, A.,Handa, N.,Honda, K.,Tomabechi, Y.,Shirouzu, M.,Yokoyama, S. (deposition date: 2013-07-25, release date: 2014-02-12, Last modification date: 2023-12-06)
Primary citation	Parker, L.J.,Taruya, S.,Tsuganezawa, K.,Ogawa, N.,Mikuni, J.,Honda, K.,Tomabechi, Y.,Handa, N.,Shirouzu, M.,Yokoyama, S.,Tanaka, A. Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70:392-404, 2014 Cited by PubMed: 24531473 DOI: 10.1107/S1399004713028654 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.04 Å)

Structure validation