2024-12-07_00000403|ligand|9ETY

KEAP1 in complex with compound 25; X-ray diffraction 1.87Å
Protein #1 189 residues (94% resolved)

MHHHHHHSSGVDLGTENLYFQSMGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGE

MHHHHHHSSGVDLGTENLYFQSMGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGE
Non polymer #2 A1H7T

InChI=1S/C16H18N4O3S2/c1-11-15(21)19(2)7-8-20(11)16-14(18-10-24-16)25(22,23)13-6-4-3-5-12(13)9-17/h3-6,11,18H,7-8,10H2,1-2H3/t11-/m1/s1

C[C@@H]1C(=O)N(CCN1C2=C(NCS2)S(=O)(=O)c3ccccc3C#N)C
Non polymer #3 EDO

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

C(CO)O
Non polymer #4 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

[O-]P(=O)([O-])[O-]
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Reference