4E5D

2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex

Summary for 4E5D

Entry DOI	10.2210/pdb4e5d/pdb
Descriptor	Luciferin 4-monooxygenase, 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole (3 entities in total)
Functional Keywords	oxidoreductase, monooxygenase, photoprotein, luminescence, profiling, pubchem, luciferase, quantitative high-throughput screening, qhts, firefly luciferase, reporter-gene assays, adenylate forming enzymes, 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	61078.25
Authors	Lovell, S.,Battaile, K.P.,Throne, N.,Shen, M.,Auld, D.S.,Inglese, J. (deposition date: 2012-03-14, release date: 2012-09-05, Last modification date: 2023-09-13)
Primary citation	Thorne, N.,Shen, M.,Lea, W.A.,Simeonov, A.,Lovell, S.,Auld, D.S.,Inglese, J. Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter. Chem.Biol., 19:1060-1072, 2012 Cited by PubMed: 22921073 DOI: 10.1016/j.chembiol.2012.07.015 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.201 Å)

Structure validation