2025-11-08_00000168|medium|9LD3

The complex structure of K63A/2',3',5'-P-A/ADPR; X-ray diffraction 1.82Å
Protein #1 180 residues (99% resolved)

MKPERKRVSKLMAYILRHSPEEFGLRPDVEGFVSLNELVNALKTVYPEVTEEFVREIVENDPAGRYEIRGDRIRARYGHSFPVSLDHEEDTESRFLYHGTPRRNLPSILKEGLKPMKRQYVHVSTDKIEALETGRRHGREVVLLVIDAECLRKRGFKIYKAGKNVRIVERVPPDCITLAV

MKPERKRVSKLMAYILRHSPEEFGLRPDVEGFVSLNELVNALKTVYPEVTEEFVREIVENDPAGRYEIRGDRIRARYGHSFPVSLDHEEDTESRFLYHGTPRRNLPSILKEGLKPMKRQYVHVSTDKIEALETGRRHGREVVLLVIDAECLRKRGFKIYKAGKNVRIVERVPPDCITLAV
Non polymer #2 A1EJC

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(28-31(22,23)24)6(27-30(19,20)21)4(26-10)1-25-29(16,17)18/h2-4,6-7,10H,1H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)N
Non polymer #3 AR6

InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N
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Reference