2026-05-02_00000096|ligand|9OBB

Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-[(E)-3-(p-methoxyphenyl)-2-propenylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione; X-ray diffraction 2.32Å
Protein #1 347 residues (90% resolved)

MGSSHHHHHHSSGLVPRGSHMASMTGGGQMGRGSMSLQVGILGNTFANPFMNAAGVMCSTEEELAAMTESTSGSLITKSCTPALREGNPAPRYYTLPLGSINSMGLPNKGFDFYLAYSARHHDYSRKPLFISISGFSAEENAEMCKRLAPVAAEKGVILELNLSCPNVPGKPQVAYDFDAMRRYLAAISEAYPHPFGVKMPPYFDFAHFDAAAEILNQFPKVQFITCINSIGNGLVIDVETESVVIKPKQGFGGLGGRYVFPTALANVNAFYRRCPGKLIFGCGGVYTGEDAFLHVLAGASMVQVGTALHEEGAAIFERLTAELLDVMAKKGYKALDEFRGKVKAMD

MGSSHHHHHHSSGLVPRGSHMASMTGGGQMGRGSMSLQVGILGNTFANPFMNAAGVMCSTEEELAAMTESTSGSLITKSCTPALREGNPAPRYYTLPLGSINSMGLPNKGFDFYLAYSARHHDYSRKPLFISISGFSAEENAEMCKRLAPVAAEKGVILELNLSCPNVPGKPQVAYDFDAMRRYLAAISEAYPHPFGVKMPPYFDFAHFDAAAEILNQFPKVQFITCINSIGNGLVIDVETESVVIKPKQGFGGLGGRYVFPTALANVNAFYRRCPGKLIFGCGGVYTGEDAFLHVLAGASMVQVGTALHEEGAAIFERLTAELLDVMAKKGYKALDEFRGKVKAMD
Non polymer #2 5TI

InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)

COc1ccc(cc1)C=CC=C2C(=O)NC(=O)NC2=O
Non polymer #3 FMN

InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
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