2025-03-22_00000267
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ligand
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9GIO
Crystal structure of the VHL-EloC-EloB complex with a covalent compound bound to C77 of VHL.;
X-ray diffraction 1.49Å
Protein #1
107 residues (94% resolved)
Raw Sequence ...
GSHMDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Canonical Sequence ...
GSHMDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #2
96 residues (91% resolved)
Raw Sequence ...
MYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Canonical Sequence ...
MYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Protein #3
160 residues (91% resolved)
Raw Sequence ...
MEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Canonical Sequence ...
MEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Non polymer #4
3JF
InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1
InChI=1S/C24H32N4O4S/c1-14-20(33-13-26-14)17-8-6-16(7-9-17)11-25-22(31)19-10-18(30)12-28(19)23(32)21(24(3,4)5)27-15(2)29/h6-9,13,18-19,21,30H,10-12H2,1-5H3,(H,25,31)(H,27,29)/t18-,19+,21-/m1/s1
SMILES: Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O
Non polymer #5
A1IMD
InChI=1S/C16H22N4O4S/c1-5-16(21)18-14-8-13(24-11-12-9-17-20(4)10-12)6-7-15(14)25(22,23)19(2)3/h6-10H,5,11H2,1-4H3,(H,18,21)
InChI=1S/C16H22N4O4S/c1-5-16(21)18-14-8-13(24-11-12-9-17-20(4)10-12)6-7-15(14)25(22,23)19(2)3/h6-10H,5,11H2,1-4H3,(H,18,21)
SMILES: CCC(=O)Nc1cc(ccc1S(=O)(=O)N(C)C)OCc2cnn(c2)C
CCC(=O)Nc1cc(ccc1S(=O)(=O)N(C)C)OCc2cnn(c2)C
Biounit #1
hetero-1-1-1-mer
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Model
Reference
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