2025-12-20_00000065|ligand|9HQ0

SARM1 TIR domain in complex with compound 7-ADPR; X-ray diffraction 2.13Å
Protein #1 148 residues (95% resolved)

GGSSGSGDTPDVFISYRRNSGSQLASLLKVHLQLHGFSVFIDVEKLEAGKFEDKLIQSVMGARNFVLVLSPGALDKCMQDHDCKDWVHKEIVTALSCGKNIVPIIDGFEWPEPQVLPEDMQAVLTFNGIKWSHEYQEATIEKIIRFLQ

GGSSGSGDTPDVFISYRRNSGSQLASLLKVHLQLHGFSVFIDVEKLEAGKFEDKLIQSVMGARNFVLVLSPGALDKCMQDHDCKDWVHKEIVTALSCGKNIVPIIDGFEWPEPQVLPEDMQAVLTFNGIKWSHEYQEATIEKIIRFLQ
Non polymer #2 A1IW3

InChI=1S/C28H38F2N8O15P2/c1-13(36(2)27(43)35-17-9-48-10-28(17,29)30)14-3-5-37(6-4-14)25-21(41)19(39)15(51-25)7-49-54(44,45)53-55(46,47)50-8-16-20(40)22(42)26(52-16)38-12-34-18-23(31)32-11-33-24(18)38/h3-6,11-13,15-17,19-22,25-26,39-42H,7-10H2,1-2H3,(H4-,31,32,33,35,43,44,45,46,47)/p+1/t13-,15+,16+,17+,19+,20+,21+,22+,25+,26+/m0/s1

C[C@@H](c1cc[n+](cc1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)N(C)C(=O)N[C@@H]6COCC6(F)F
Non polymer #3 EDO

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

C(CO)O
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Reference