2026-01-10_00000304|ligand|9LH1

Crystal Structures of Keap1-CD2 complexes; X-ray diffraction 2.00Å

Protein #1 288 residues (97% resolved)

Raw Sequence ...

PKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Canonical Sequence ...

Non polymer #2 A1EJ5

InChI=1S/C37H43N7O8S2/c1-52-27-8-12-29(13-9-27)54(50,51)44(23-35(39)46)33-15-14-32(30-4-2-3-5-31(30)33)43(22-34(38)45)53(48,49)28-10-6-26(7-11-28)41-36(47)16-19-42-20-17-37(18-21-42)24-40-25-37/h2-15,40H,16-25H2,1H3,(H2,38,45)(H2,39,46)(H,41,47)

InChI=1S/C37H43N7O8S2/c1-52-27-8-12-29(13-9-27)54(50,51)44(23-35(39)46)33-15-14-32(30-4-2-3-5-31(30)33)43(22-34(38)45)53(48,49)28-10-6-26(7-11-28)41-36(47)16-19-42-20-17-37(18-21-42)24-40-25-37/h2-15,40H,16-25H2,1H3,(H2,38,45)(H2,39,46)(H,41,47)

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)NC(=O)CCN5CCC6(CC5)CNC6

COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)NC(=O)CCN5CCC6(CC5)CNC6

Biounit #1 monomer

Reference