3V5L

Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542

Summary for 3V5L

Entry DOI	10.2210/pdb3v5l/pdb
Related	3V5J 3V8T 3V8W 3VF8 3VF9
Descriptor	Tyrosine-protein kinase ITK/TSK, 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, ... (4 entities in total)
Functional Keywords	kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm : Q08881
Total number of polymer chains	4
Total formula weight	122816.47
Authors	McLean, L.R.,Zhang, Y. (deposition date: 2011-12-16, release date: 2012-05-02, Last modification date: 2023-09-13)
Primary citation	McLean, L.R.,Zhang, Y.,Zaidi, N.,Bi, X.,Wang, R.,Dharanipragada, R.,Jurcak, J.G.,Gillespy, T.A.,Zhao, Z.,Musick, K.Y.,Choi, Y.M.,Barrague, M.,Peppard, J.,Smicker, M.,Duguid, M.,Parkar, A.,Fordham, J.,Kominos, D. X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22:3296-3300, 2012 Cited by PubMed: 22464456 DOI: 10.1016/j.bmcl.2012.03.016 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.86 Å)

Structure validation