2026-09-12_00000052|ligand|26RW

Crystal structure of the C65A/M94W/M145W/C167A mutant of Human lipocalin-type Prostaglandin D Synthase in complex with 10-O-(3-fluoropropyl)-substituted SN-38; X-ray diffraction 1.24Å
Protein #1 170 residues (91% resolved)

GSAPEAQVSVQPNFQQDKFLGRWFSAGLASNSSWLREKKAALSMAKSVVAPATDGGLNLTSTFLRKNQCETRTWLLQPAGSLGSYSYRSPHWGSTYSVSVVETDYDQYALLYSQGSKGPGEDFRWATLYSRTQTPRAELKEKFTAFAKAQGFTEDTIVFLPQTDKCMTEQ

GSAPEAQVSVQPNFQQDKFLGRWFSAGLASNSSWLREKKAALSMAKSVVAPATDGGLNLTSTFLRKNQCETRTWLLQPAGSLGSYSYRSPHWGSTYSVSVVETDYDQYALLYSQGSKGPGEDFRWATLYSRTQTPRAELKEKFTAFAKAQGFTEDTIVFLPQTDKCMTEQ
Non polymer #2 A1MG3

InChI=1S/C25H25FN2O5/c1-3-15-16-10-14(32-9-5-8-26)6-7-20(16)27-22-17(15)12-28-21(22)11-19-18(23(28)29)13-33-24(30)25(19,31)4-2/h6-7,10-11,31H,3-5,8-9,12-13H2,1-2H3/t25-/m0/s1

CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OCCCF
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Reference