3RIX

1.7A resolution structure of a firefly luciferase-Aspulvinone J inhibitor complex

Summary for 3RIX

Entry DOI	10.2210/pdb3rix/pdb
Descriptor	Luciferin 4-monooxygenase, (5Z)-4-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-5-{[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methylidene}furan-2(5H)-one (3 entities in total)
Functional Keywords	oxidoreductase, monooxygenase, photoprotein, luminescence, aspulvinone, natural product extracts, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Photinus pyralis (North American firefly)
Cellular location	Peroxisome : P08659
Total number of polymer chains	1
Total formula weight	61283.46
Authors	Lovell, S.,Battaile, K.P.,Lopez, P.C.,Auld, D.S.,Schultz, P.J.,MacArthur, R.,Shen, M.,Tamayo, G.,Inglese, J.,Sherman, D.H. (deposition date: 2011-04-14, release date: 2011-12-07, Last modification date: 2023-09-13)
Primary citation	Cruz, P.G.,Auld, D.S.,Schultz, P.J.,Lovell, S.,Battaile, K.P.,MacArthur, R.,Shen, M.,Tamayo-Castillo, G.,Inglese, J.,Sherman, D.H. Titration-based screening for evaluation of natural product extracts: identification of an aspulvinone family of luciferase inhibitors. Chem.Biol., 18:1442-1452, 2011 Cited by PubMed: 22118678 DOI: 10.1016/j.chembiol.2011.08.011 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation