2026-05-23_00000371|ligand|9XUP

Crystal structure of MPXV poxin in complex with Gp[2'-5']Ap[3']; X-ray diffraction 2.01Å
Protein #1 198 residues (98% resolved)

SGGMFYAHAFGGYDENLHAFPGISSTVANDVRKYSVVSVYNKKYNIVKNKYMWCNSQVNKRYIGALLPMFECNEYLQIGDPIHDLEGNQISIVTYRHKNYYALSGIGYESLDLCLEGVGIHHHVLETGNAVYGKVQHEYSTIKEKAKEMNALKPGPIIDYHVWIGDCVCQVTTVDVHGKEIMRMRFKRGAVLPIPNLV

SGGMFYAHAFGGYDENLHAFPGISSTVANDVRKYSVVSVYNKKYNIVKNKYMWCNSQVNKRYIGALLPMFECNEYLQIGDPIHDLEGNQISIVTYRHKNYYALSGIGYESLDLCLEGVGIHHHVLETGNAVYGKVQHEYSTIKEKAKEMNALKPGPIIDYHVWIGDCVCQVTTVDVHGKEIMRMRFKRGAVLPIPNLV
Non polymer #2 9BG

InChI=1S/C20H26N10O14P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)12(43-45(35,36)37)7(42-18)2-40-46(38,39)44-13-10(32)6(1-31)41-19(13)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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Reference