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; PubMed: 24809814; DOI: 10.1021/jm500338n

Experimental method

X-RAY DIFFRACTION (2.4 Å)