2024-10-19_00000123
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ligand
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9DU7
KEAP1 BTB domain in complex with the covalent activator VVD-065;
X-ray diffraction 1.87Å
Protein #1
137 residues (96% resolved)
Raw Sequence ...
GSHMGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACADFLVQQLD
Canonical Sequence ...
GSHMGNRTFSYTLEDHTKQAFGIMNELRLSQQLCDVTLQVKYQDAPAAQFMAHKVVLASSSPVFKAMFTNGLREQGMEVVSIEGIHPKVMERLIEFAYTASISMGEKCVLHVMNGAVMYQIDSVVRACADFLVQQLD
Non polymer #2
A1BCT
InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21)
InChI=1S/C16H18ClN5O2/c1-2-14(23)22-3-4-24-8-13(22)10-5-11(7-12(17)6-10)15-19-9-20-16(18)21-15/h5-7,9,13H,2-4,8H2,1H3,(H2,18,19,20,21)
SMILES: CCC(=O)N1CCOC[C@H]1c2cc(cc(c2)Cl)c3ncnc(n3)N
CCC(=O)N1CCOC[C@H]1c2cc(cc(c2)Cl)c3ncnc(n3)N
Biounit #1
homo-dimer
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Model
Reference
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