2026-05-02_00000109|ligand|9OCM

Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with (E)-5-(3-(4-nitrophenyl)allylidene)pyrimidine-2,4,6(1H,3H,5H)-trione; X-ray diffraction 1.97Å
Protein #1 347 residues (90% resolved)

MGSSHHHHHHSSGLVPRGSHMASMTGGGQMGRGSMSLQVGILGNTFANPFMNAAGVMCSTEEELAAMTESTSGSLITKSCTPALREGNPAPRYYTLPLGSINSMGLPNKGFDFYLAYSARHHDYSRKPLFISISGFSAEENAEMCKRLAPVAAEKGVILELNLSCPNVPGKPQVAYDFDAMRRYLAAISEAYPHPFGVKMPPYFDFAHFDAAAEILNQFPKVQFITCINSIGNGLVIDVETESVVIKPKQGFGGLGGRYVFPTALANVNAFYRRCPGKLIFGCGGVYTGEDAFLHVLAGASMVQVGTALHEEGAAIFERLTAELLDVMAKKGYKALDEFRGKVKAMD

MGSSHHHHHHSSGLVPRGSHMASMTGGGQMGRGSMSLQVGILGNTFANPFMNAAGVMCSTEEELAAMTESTSGSLITKSCTPALREGNPAPRYYTLPLGSINSMGLPNKGFDFYLAYSARHHDYSRKPLFISISGFSAEENAEMCKRLAPVAAEKGVILELNLSCPNVPGKPQVAYDFDAMRRYLAAISEAYPHPFGVKMPPYFDFAHFDAAAEILNQFPKVQFITCINSIGNGLVIDVETESVVIKPKQGFGGLGGRYVFPTALANVNAFYRRCPGKLIFGCGGVYTGEDAFLHVLAGASMVQVGTALHEEGAAIFERLTAELLDVMAKKGYKALDEFRGKVKAMD
Non polymer #2 A1CAU

InChI=1S/C13H9N3O5/c17-11-10(12(18)15-13(19)14-11)3-1-2-8-4-6-9(7-5-8)16(20)21/h1-7H,(H2,14,15,17,18,19)/b2-1-

c1cc(ccc1/C=C\C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Non polymer #4 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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Reference