2025-01-18_00000111|ligand|8Z7D

Structure of G9a in complex with compound 9a; X-ray diffraction 1.58Å
Protein #1 283 residues (95% resolved)

GSNRAIRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLD

GSNRAIRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLD
Non polymer #2 A1L08

InChI=1S/C25H33N3O3/c1-5-6-12-18(23(30)26-15-17-10-8-7-9-11-17)28-24(31)22-16(2)21-19(27-22)13-25(3,4)14-20(21)29/h7-11,18,27H,5-6,12-15H2,1-4H3,(H,26,30)(H,28,31)/t18-/m0/s1

CCCC[C@@H](C(=O)NCc1ccccc1)NC(=O)c2c(c3c([nH]2)CC(CC3=O)(C)C)C
Non polymer #3 SFG

InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference