5H0G

Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide

Summary for 5H0G

Entry DOI	10.2210/pdb5h0g/pdb
Related	5H09 5H0A 5H0B 5H0C 5H0D 5H0E 5H0F 5H0H
Descriptor	Tyrosine-protein kinase HCK, (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide (3 entities in total)
Functional Keywords	transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Isoform 1: Lysosome. Isoform 2: Cell membrane ; Lipid-anchor . Cytoplasmic vesicle, secretory vesicle: P08631
Total number of polymer chains	1
Total formula weight	52526.90
Authors	Tomabechi, Y.,Kukimoto-Niino, M.,Shirouzu, M. (deposition date: 2016-10-04, release date: 2017-10-04, Last modification date: 2023-11-15)
Primary citation	Yuki, H.,Kikuzato, K.,Koda, Y.,Mikuni, J.,Tomabechi, Y.,Kukimoto-Niino, M.,Tanaka, A.,Shirai, F.,Shirouzu, M.,Koyama, H.,Honma, T. Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25:4259-4264, 2017 Cited by PubMed: 28662963 DOI: 10.1016/j.bmc.2017.05.053 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation