2026-04-04_00000353
|
ligand
|
9Y8S
Crystal structure of the Kelch domain of human KLHL12 with compound 9k;
X-ray diffraction 1.29Å
Protein #1
295 residues (97% resolved)
Raw Sequence ...
GSHMGSANEVLLVVGGFGSQQSPIDVVEKYDPKTQEWSFLPSITRKRRYVASVSLHDRIYVIGGYDGRSRLSSVECLDYTADEDGVWYSVAPMNVRRGLAGATTLGDMIYVSGGFDGSRRHTSMERYDPNIDQWSMLGDMQTAREGAGLVVASGVIYCLGGYDGLNILNSVEKYDPHTGHWTNVTPMATKRSGAGVALLNDHIYVVGGFDGTAHLSSVEAYNIRTDSWTTVTSMTTPRCYVGATVLRGRLYAIAGYDGNSLLSSIECYDPIIDSWEVVTSMGTQRCDAGVCVLRE
Canonical Sequence ...
GSHMGSANEVLLVVGGFGSQQSPIDVVEKYDPKTQEWSFLPSITRKRRYVASVSLHDRIYVIGGYDGRSRLSSVECLDYTADEDGVWYSVAPMNVRRGLAGATTLGDMIYVSGGFDGSRRHTSMERYDPNIDQWSMLGDMQTAREGAGLVVASGVIYCLGGYDGLNILNSVEKYDPHTGHWTNVTPMATKRSGAGVALLNDHIYVVGGFDGTAHLSSVEAYNIRTDSWTTVTSMTTPRCYVGATVLRGRLYAIAGYDGNSLLSSIECYDPIIDSWEVVTSMGTQRCDAGVCVLRE
Non polymer #2
A1CTN
InChI=1S/C25H24ClN5O2/c1-15-7-6-10-20-23(15)30-25(27)31(20)14-21(32)29-19-12-11-18(16(2)22(19)26)24(33)28-13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H2,27,30)(H,28,33)(H,29,32)
InChI=1S/C25H24ClN5O2/c1-15-7-6-10-20-23(15)30-25(27)31(20)14-21(32)29-19-12-11-18(16(2)22(19)26)24(33)28-13-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3,(H2,27,30)(H,28,33)(H,29,32)
SMILES: Cc1cccc2c1nc(n2CC(=O)Nc3ccc(c(c3Cl)C)C(=O)NCc4ccccc4)N
Cc1cccc2c1nc(n2CC(=O)Nc3ccc(c(c3Cl)C)C(=O)NCc4ccccc4)N
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%