2025-04-19_00000386
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ligand
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9QE5
VCB in complex with VHL-binding compound 82;
X-ray diffraction 2.50Å
Protein #1
129 residues (81% resolved)
Raw Sequence ...
MKHHHHHHPMSDYDIPTTENLYFQGMDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEAL(CAS)IEPFSSPPELPDVMK
Canonical Sequence ...
MKHHHHHHPMSDYDIPTTENLYFQGMDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #2
97 residues (92% resolved)
Raw Sequence ...
MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Canonical Sequence ...
MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Protein #3
203 residues (72% resolved)
Raw Sequence ...
MASAWSHPQFEKGGGSGGGSGGSAWSHPQFEKSGENLYFQGSHMEAGRPRPVLRSVNSREPSQVIF(CAS)NRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Canonical Sequence ...
MASAWSHPQFEKGGGSGGGSGGSAWSHPQFEKSGENLYFQGSHMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Non polymer #4
A1I58
InChI=1S/C27H33FN4O4S/c1-16(18-6-8-19(9-7-18)23-17(2)29-15-37-23)30-24(34)22-13-20(33)14-32(22)25(35)21-5-3-4-12-31(21)26(36)27(28)10-11-27/h6-9,15-16,20-22,33H,3-5,10-14H2,1-2H3,(H,30,34)/t16-,20+,21-,22-/m0/s1
InChI=1S/C27H33FN4O4S/c1-16(18-6-8-19(9-7-18)23-17(2)29-15-37-23)30-24(34)22-13-20(33)14-32(22)25(35)21-5-3-4-12-31(21)26(36)27(28)10-11-27/h6-9,15-16,20-22,33H,3-5,10-14H2,1-2H3,(H,30,34)/t16-,20+,21-,22-/m0/s1
SMILES: Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4CCCCN4C(=O)C5(CC5)F)O
Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4CCCCN4C(=O)C5(CC5)F)O
Biounit #1
hetero-1-1-1-mer
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Biounit #2
hetero-1-1-1-mer
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Biounit #3
hetero-1-1-1-mer
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Biounit #4
hetero-1-1-1-mer
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Model
Reference
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