4Q6R
Crystal structure of human sphingosine-1-phosphate lyase in complex with inhibitor 6-[(2R)-4-(4-benzyl-7-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
Summary for 4Q6R
Entry DOI | 10.2210/pdb4q6r/pdb |
Related | 1HBX 3MC6 |
Descriptor | Sphingosine-1-phosphate lyase 1, SUCCINIC ACID, GLYCEROL, ... (6 entities in total) |
Functional Keywords | plp, pyridoxal 5-phosphate-dependent enzymes, lyase-lyase inhibitor complex, lyase/lyase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Endoplasmic reticulum membrane; Single-pass type III membrane protein: O95470 |
Total number of polymer chains | 2 |
Total formula weight | 114950.23 |
Authors | Srinivas, H. (deposition date: 2014-04-23, release date: 2014-05-21, Last modification date: 2023-12-06) |
Primary citation | Weiler, S.,Braendlin, N.,Beerli, C.,Bergsdorf, C.,Schubart, A.,Srinivas, H.,Oberhauser, B.,Billich, A. Orally Active 7-Substituted (4-Benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as Active-Site Inhibitors of Sphingosine 1-Phosphate Lyase for the Treatment of Multiple Sclerosis. J.Med.Chem., 57:5074-5084, 2014 Cited by PubMed: 24809814DOI: 10.1021/jm500338n PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
Download full validation report