2024-09-07_00000039|ligand|8QDI

compound 1b bound KMT9 crystal structure; X-ray diffraction 1.47Å
Protein #1 203 residues (96% resolved)

SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS

SHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGSGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVKGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFFPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETLSVLKFTKS
Protein #2 126 residues (94% resolved)

MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES

MGKLLTHNLLSSHVRGVGSRGFPLRLQATEVRICPVEFNPNFVARMIPKVEWSAFLEAADNLRLIQVPKGPVEGYEENEEFLRTMHHLLLEVEVIEGTLQCPESGRMFPISRGIPNMLLSEEETES
Non polymer #3 QII

InChI=1S/C20H32N8O5/c21-12(20(31)32)4-7-27(6-3-11-2-1-5-23-11)8-13-15(29)16(30)19(33-13)28-10-26-14-17(22)24-9-25-18(14)28/h9-13,15-16,19,23,29-30H,1-8,21H2,(H,31,32)(H2,22,24,25)/t11-,12+,13-,15-,16-,19-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@H]4CCCN4)CC[C@@H](C(=O)O)N)O)O)N
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Reference