2026-04-04_00000354
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ligand
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9Y8T
Crystal structure of the Kelch domain of human KLHL12 with compound 10b;
X-ray diffraction 1.40Å
Protein #1
295 residues (97% resolved)
Raw Sequence ...
GSHMGSANEVLLVVGGFGSQQSPIDVVEKYDPKTQEWSFLPSITRKRRYVASVSLHDRIYVIGGYDGRSRLSSVECLDYTADEDGVWYSVAPMNVRRGLAGATTLGDMIYVSGGFDGSRRHTSMERYDPNIDQWSMLGDMQTAREGAGLVVASGVIYCLGGYDGLNILNSVEKYDPHTGHWTNVTPMATKRSGAGVALLNDHIYVVGGFDGTAHLSSVEAYNIRTDSWTTVTSMTTPRCYVGATVLRGRLYAIAGYDGNSLLSSIECYDPIIDSWEVVTSMGTQRCDAGVCVLRE
Canonical Sequence ...
GSHMGSANEVLLVVGGFGSQQSPIDVVEKYDPKTQEWSFLPSITRKRRYVASVSLHDRIYVIGGYDGRSRLSSVECLDYTADEDGVWYSVAPMNVRRGLAGATTLGDMIYVSGGFDGSRRHTSMERYDPNIDQWSMLGDMQTAREGAGLVVASGVIYCLGGYDGLNILNSVEKYDPHTGHWTNVTPMATKRSGAGVALLNDHIYVVGGFDGTAHLSSVEAYNIRTDSWTTVTSMTTPRCYVGATVLRGRLYAIAGYDGNSLLSSIECYDPIIDSWEVVTSMGTQRCDAGVCVLRE
Non polymer #2
A1CTJ
InChI=1S/C20H20Cl3N5O2/c21-13-8-14(22)19(15(23)9-13)25-17(29)11-28-16-3-1-2-12(18(16)26-20(28)24)10-27-4-6-30-7-5-27/h1-3,8-9H,4-7,10-11H2,(H2,24,26)(H,25,29)
InChI=1S/C20H20Cl3N5O2/c21-13-8-14(22)19(15(23)9-13)25-17(29)11-28-16-3-1-2-12(18(16)26-20(28)24)10-27-4-6-30-7-5-27/h1-3,8-9H,4-7,10-11H2,(H2,24,26)(H,25,29)
SMILES: c1cc(c2c(c1)n(c(n2)N)CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)CN4CCOCC4
c1cc(c2c(c1)n(c(n2)N)CC(=O)Nc3c(cc(cc3Cl)Cl)Cl)CN4CCOCC4
Biounit #1
monomer
Download coordinates
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Model
Reference
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