4I4E

Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound.

Summary for 4I4E

Entry DOI	10.2210/pdb4i4e/pdb
Related	4EBV 4EBW 4I4F
Descriptor	Focal adhesion kinase 1, [4-(2-hydroxyethyl)piperidin-1-yl][4-(5-methyl-4,4-dioxido-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-yl)phenyl]methanone (3 entities in total)
Functional Keywords	phosphorylated on tyrosines, transferase, cytoplasmic; localized to focal adhesions, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cell junction, focal adhesion: Q05397
Total number of polymer chains	1
Total formula weight	32586.69
Authors	Skene, R.J.,Hosfield, D.J. (deposition date: 2012-11-27, release date: 2013-03-06, Last modification date: 2023-09-20)
Primary citation	Tomita, N.,Hayashi, Y.,Suzuki, S.,Oomori, Y.,Aramaki, Y.,Matsushita, Y.,Iwatani, M.,Iwata, H.,Okabe, A.,Awazu, Y.,Isono, O.,Skene, R.J.,Hosfield, D.J.,Miki, H.,Kawamoto, T.,Hori, A.,Baba, A. Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg.Med.Chem.Lett., 23:1779-1785, 2013 Cited by PubMed: 23414845 DOI: 10.1016/j.bmcl.2013.01.047 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation