4IGE

Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one

Summary for 4IGE

• Entry DOI: 10.2210/pdb4ige/pdb
• Related: 4IGF
• Descriptor: Enoyl-acyl carrier reductase, 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (6 entities in total)
• Functional Keywords: reductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Plasmodium falciparum
• Total number of polymer chains: 2
• Total formula weight: 81031.29

Authors

Kostrewa, D.,Perozzo, R. (deposition date: 2012-12-17, release date: 2013-11-06, Last modification date: 2023-11-08)

• Primary citation: Belluti, F.,Perozzo, R.,Lauciello, L.,Colizzi, F.,Kostrewa, D.,Bisi, A.,Gobbi, S.,Rampa, A.,Bolognesi, M.L.,Recanatini, M.,Brun, R.,Scapozza, L.,Cavalli, A.; Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI); J.Med.Chem., 56:7516-7526, 2013; PubMed: 24063369; DOI: 10.1021/jm400637m

Experimental method

X-RAY DIFFRACTION (2.15 Å)