5H0B
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)-4-methylpentanoic acid
Summary for 5H0B
Entry DOI | 10.2210/pdb5h0b/pdb |
Related | 5H09 5H0A 5H0C 5H0D 5H0E 5H0F 5H0G 5H0H |
Descriptor | Tyrosine-protein kinase HCK, (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]azaniumyl]-4-methyl-pentanoate (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 | 52513.86 |
Authors | Tomabechi, Y.,Kukimoto-Niino, M.,Shirouzu, M. (deposition date: 2016-10-04, release date: 2017-10-11, 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: 28662963DOI: 10.1016/j.bmc.2017.05.053 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.651 Å) |
Structure validation
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