2025-03-15_00000314|ligand|9HB0

Crystal structure of Plasmodium falciparum Plasmepsin X in complex with the hydroxyethylamine drug 7k.; X-ray diffraction 1.70Å
Protein #1 357 residues (92% resolved)

LENKNATVEQTKENIFLVPLKHLRDSQFVGELLVGTPPQTVYPIFDTGSTNVWVVTTACEEESCKKVRRYDPNKSKTFRRSFIEKNLHIVFGSGSISGSVGTDTFMLGKHLVRNQTFGLVESESNNNKNGGDNIFDYISFEGIVGLGFPGMLSAGNIPFFDNLLKQNPNVDPQFSFYISPYDGKSTLIIGGISKSFYEGDIYMLPVLKESYWEVKLDELYIGKERICCDEESYVIFDTGTSYNTMPSSQMKTFLNLIHSTACTEQNYKDILKSYPIIKYVFGELIIELHPEEYMILNDDVCMPAYMQIDVPSERNHAYLLGSLSFMRNFFTVFVRGTESRPSMVGVARAKSKNEPEA

LENKNATVEQTKENIFLVPLKHLRDSQFVGELLVGTPPQTVYPIFDTGSTNVWVVTTACEEESCKKVRRYDPNKSKTFRRSFIEKNLHIVFGSGSISGSVGTDTFMLGKHLVRNQTFGLVESESNNNKNGGDNIFDYISFEGIVGLGFPGMLSAGNIPFFDNLLKQNPNVDPQFSFYISPYDGKSTLIIGGISKSFYEGDIYMLPVLKESYWEVKLDELYIGKERICCDEESYVIFDTGTSYNTMPSSQMKTFLNLIHSTACTEQNYKDILKSYPIIKYVFGELIIELHPEEYMILNDDVCMPAYMQIDVPSERNHAYLLGSLSFMRNFFTVFVRGTESRPSMVGVARAKSKNEPEA
Non polymer #2 A1ITU

InChI=1S/C36H47N3O4/c1-5-19-39-20-8-6-7-12-26-13-9-14-27(21-26)22-32(38-34(41)28-15-10-16-29(23-28)35(39)42)33(40)25-37-36(2,3)30-17-11-18-31(24-30)43-4/h9-11,13-18,21,23-24,32-33,37,40H,5-8,12,19-20,22,25H2,1-4H3,(H,38,41)/t32-,33+/m0/s1

CCCN1CCCCCc2cccc(c2)C[C@H](NC(=O)c3cccc(c3)C1=O)[C@@H](CNC(C)(C)c4cccc(c4)OC)O
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Reference