2026-02-07_00000223|ligand|9SXI

HUMAN CD38 ECTODOMAIN BOUND TO CVN14-ADPR ADDUCT; X-ray diffraction 1.74Å
Protein #1 256 residues (93% resolved)

RWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCDITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFATSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLDGSRSKIFDKDSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI

RWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCDITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFATSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLDGSRSKIFDKDSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI
Non polymer #2 A1JSF

InChI=1S/C32H42F3N11O14P2/c1-15-8-18(28(51)42-17-4-2-16(3-5-17)37-11-32(33,34)35)43-31(41-15)45-7-6-44(14-45)29-24(49)22(47)19(58-29)9-56-61(52,53)60-62(54,55)57-10-20-23(48)25(50)30(59-20)46-13-40-21-26(36)38-12-39-27(21)46/h6-8,12-14,16-17,19-20,22-25,29-30,37,47-50H,2-5,9-11H2,1H3,(H4-,36,38,39,42,51,52,53,54,55)/p+1/t16-,17-,19-,20-,22-,23-,24-,25-,29-,30-/m1/s1

Cc1cc(nc(n1)[n+]2ccn(c2)[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)n5cnc6c5ncnc6N)O)O)O)O)C(=O)NC7CCC(CC7)NCC(F)(F)F
Download coordinates
Reference