2026-04-04_00000355
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ligand
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9Y8U
Crystal structure of the Kelch domain of human KLHL12 with compound 10j;
X-ray diffraction 1.01Å
Protein #1
295 residues (98% resolved)
Raw Sequence ...
GSHMGSANEVLLVVGGFGSQQSPIDVVEKYDPKTQEWSFLPSITRKRRYVASVSLHDRIYVIGGYDGRSRLSSVECLDYTADEDGVWYSVAPMNVRRGLAGATTLGDMIYVSGGFDGSRRHTSMERYDPNIDQWSMLGDMQTAREGAGLVVASGVIYCLGGYDGLNILNSVEKYDPHTGHWTNVTPMATKRSGAGVALLNDHIYVVGGFDGTAHLSSVEAYNIRTDSWTTVTSMTTPRCYVGATVLRGRLYAIAGYDGNSLLSSIECYDPIIDSWEVVTSMGTQRCDAGVCVLRE
Canonical Sequence ...
GSHMGSANEVLLVVGGFGSQQSPIDVVEKYDPKTQEWSFLPSITRKRRYVASVSLHDRIYVIGGYDGRSRLSSVECLDYTADEDGVWYSVAPMNVRRGLAGATTLGDMIYVSGGFDGSRRHTSMERYDPNIDQWSMLGDMQTAREGAGLVVASGVIYCLGGYDGLNILNSVEKYDPHTGHWTNVTPMATKRSGAGVALLNDHIYVVGGFDGTAHLSSVEAYNIRTDSWTTVTSMTTPRCYVGATVLRGRLYAIAGYDGNSLLSSIECYDPIIDSWEVVTSMGTQRCDAGVCVLRE
Non polymer #2
A1CTK
InChI=1S/C27H29Cl3N6O/c1-17-32-26-19(14-34-8-7-21(15-34)35-9-5-18(13-31)6-10-35)3-2-4-24(26)36(17)16-25(37)33-27-22(29)11-20(28)12-23(27)30/h2-4,11-12,18,21H,5-10,14-16H2,1H3,(H,33,37)/t21-/m0/s1
InChI=1S/C27H29Cl3N6O/c1-17-32-26-19(14-34-8-7-21(15-34)35-9-5-18(13-31)6-10-35)3-2-4-24(26)36(17)16-25(37)33-27-22(29)11-20(28)12-23(27)30/h2-4,11-12,18,21H,5-10,14-16H2,1H3,(H,33,37)/t21-/m0/s1
SMILES: Cc1nc2c(cccc2n1CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)CN4CC[C@@H](C4)N5CCC(CC5)C#N
Cc1nc2c(cccc2n1CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)CN4CC[C@@H](C4)N5CCC(CC5)C#N
Biounit #1
monomer
Download coordinates
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Model
Reference
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