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)
Raw Sequence ...
GSAPEAQVSVQPNFQQDKFLGRWFSAGLASNSSWLREKKAALSMAKSVVAPATDGGLNLTSTFLRKNQCETRTWLLQPAGSLGSYSYRSPHWGSTYSVSVVETDYDQYALLYSQGSKGPGEDFRWATLYSRTQTPRAELKEKFTAFAKAQGFTEDTIVFLPQTDKCMTEQ
Canonical Sequence ...
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
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
SMILES: CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OCCCF
CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OCCCF
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%