2024-12-07_00000402
|
ligand
|
9ETX
KEAP1 BTB in complex with compound 23;
X-ray diffraction 2.34Å
Protein #1
189 residues (92% resolved)
Raw Sequence ...
MHHHHHHSSGVDLGTENLYFQSMGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGE
Canonical Sequence ...
MHHHHHHSSGVDLGTENLYFQSMGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACSDFLVQQLDPSNAIGIANFAEQIGCVELHQRAREYIYMHFGE
Non polymer #2
A1H67
InChI=1S/C15H16ClN3O3S2/c1-10-14(20)18(2)7-8-19(10)15-13(17-9-23-15)24(21,22)12-6-4-3-5-11(12)16/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
InChI=1S/C15H16ClN3O3S2/c1-10-14(20)18(2)7-8-19(10)15-13(17-9-23-15)24(21,22)12-6-4-3-5-11(12)16/h3-6,9-10H,7-8H2,1-2H3/t10-/m1/s1
SMILES: C[C@@H]1C(=O)N(CCN1c2c(ncs2)S(=O)(=O)c3ccccc3Cl)C
C[C@@H]1C(=O)N(CCN1c2c(ncs2)S(=O)(=O)c3ccccc3Cl)C
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%