2026-08-22_00000187|ligand|31DG

human Pyridoxine-5'-phosphate oxidase in complex with PLP-carbidopa in its active site; X-ray diffraction 2.04Å
Protein #1 280 residues (74% resolved)

MGSSHHHHHSSGLVPRGSHMTCWLRGVTATFGRPAEWPGYLSHLCGRSAAMDLGPMRKSYRGDREAFEETHLTSLDPVKQFAAWFEEAVQ(CME)PDIGEANAMCLATCTRDGKPSARMLLLKGFGKDGFRFFTNFESRKGKELDSNPFASLVFYWEPLNRQVRVEGPVKKLPEEEAECYFHSRPKSSQIGAVVSHQSSVIPDREYLRKKNEELEQLYQDQEVPKPKSWGGYVLYPQVMEFWQGQTNRLHDRIVFRRGLPTGDSPLGPMTHRGEEDWLYERLAP

MGSSHHHHHSSGLVPRGSHMTCWLRGVTATFGRPAEWPGYLSHLCGRSAAMDLGPMRKSYRGDREAFEETHLTSLDPVKQFAAWFEEAVQCPDIGEANAMCLATCTRDGKPSARMLLLKGFGKDGFRFFTNFESRKGKELDSNPFASLVFYWEPLNRQVRVEGPVKKLPEEEAECYFHSRPKSSQIGAVVSHQSSVIPDREYLRKKNEELEQLYQDQEVPKPKSWGGYVLYPQVMEFWQGQTNRLHDRIVFRRGLPTGDSPLGPMTHRGEEDWLYERLAP
Non polymer #2 A1BCS

InChI=1S/C18H22N3O9P/c1-10-16(24)13(12(7-19-10)9-30-31(27,28)29)8-20-21-18(2,17(25)26)6-11-3-4-14(22)15(23)5-11/h3-5,7-8,21-24H,6,9H2,1-2H3,(H,25,26)(H2,27,28,29)/t18-/m0/s1

Cc1c(c(c(cn1)COP(=O)(O)O)C=NN[C@@](C)(Cc2ccc(c(c2)O)O)C(=O)O)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
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference