3Q44

X-ray crystal structure of PfA-M1 bound to Bestatin derivative 16

Summary for 3Q44

• Entry DOI: 10.2210/pdb3q44/pdb
• Related: 3Q43
• Descriptor: M1 family aminopeptidase, ZINC ION, N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-leucine, ... (6 entities in total)
• Functional Keywords: m1 aminopeptidase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Plasmodium falciparum FcB1/Columbia
• Cellular location: Cytoplasm: O96935
• Total number of polymer chains: 1
• Total formula weight: 104562.27

Authors

McGowan, S.,Greenbaum, D.C. (deposition date: 2010-12-22, release date: 2011-03-16, Last modification date: 2023-09-13)

• Primary citation: Velmourougane, G.,Harbut, M.B.,Dalal, S.,McGowan, S.,Oellig, C.A.,Meinhardt, N.,Whisstock, J.C.,Klemba, M.,Greenbaum, D.C.; Synthesis of new (-)-bestatin-based inhibitor libraries reveals a novel binding mode in the s1 pocket of the essential malaria m1 metalloaminopeptidase.; J.Med.Chem., 54:1655-1666, 2011; PubMed: 21366301; DOI: 10.1021/jm101227t

Experimental method

X-RAY DIFFRACTION (1.8 Å)