4L02

Crystal Structure of SphK1 with inhibitor

Summary for 4L02

Entry DOI	10.2210/pdb4l02/pdb
Related	3VZB 3VZC 3VZD
Descriptor	Sphingosine kinase 1, (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol (3 entities in total)
Functional Keywords	lipid kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q9NYA1
Total number of polymer chains	3
Total formula weight	130110.18
Authors	Min, X.,Walker, N.,Wang, Z. (deposition date: 2013-05-30, release date: 2013-07-24, Last modification date: 2024-02-28)
Primary citation	Gustin, D.J.,Li, Y.,Brown, M.L.,Min, X.,Schmitt, M.J.,Wanska, M.,Wang, X.,Connors, R.,Johnstone, S.,Cardozo, M.,Cheng, A.C.,Jeffries, S.,Franks, B.,Li, S.,Shen, S.,Wong, M.,Wesche, H.,Xu, G.,Carlson, T.J.,Plant, M.,Morgenstern, K.,Rex, K.,Schmitt, J.,Coxon, A.,Walker, N.,Kayser, F.,Wang, Z. Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg.Med.Chem.Lett., 23:4608-4616, 2013 Cited by PubMed: 23845219 DOI: 10.1016/j.bmcl.2013.06.030 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.75 Å)

Structure validation