2025-04-19_00000385
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ligand
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9QE4
VCB in complex with VHL-binding compound 114;
X-ray diffraction 2.28Å
Protein #1
129 residues (81% resolved)
Raw Sequence ...
MKHHHHHHPMSDYDIPTTENLYFQGMDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGE(CAS)GFTSQTARPQAPATVGLAFRADDTFEAL(CAS)IEPFSSPPELPDVMK
Canonical Sequence ...
MKHHHHHHPMSDYDIPTTENLYFQGMDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #2
97 residues (92% resolved)
Raw Sequence ...
MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Canonical Sequence ...
MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Protein #3
203 residues (70% resolved)
Raw Sequence ...
MASAWSHPQFEKGGGSGGGSGGSAWSHPQFEKSGENLYFQGSHMEAGRPRPVLRSVNSREPSQVIF(CAS)NRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Canonical Sequence ...
MASAWSHPQFEKGGGSGGGSGGSAWSHPQFEKSGENLYFQGSHMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Non polymer #4
A1I57
InChI=1S/C27H35FN4O4S/c1-15(17-6-8-18(9-7-17)21-16(2)29-14-37-21)30-23(34)20-12-19(33)13-32(20)24(35)22(26(3,4)5)31-25(36)27(28)10-11-27/h6-9,14-15,19-20,22,33H,10-13H2,1-5H3,(H,30,34)(H,31,36)/t15-,19+,20-,22+/m0/s1
InChI=1S/C27H35FN4O4S/c1-15(17-6-8-18(9-7-17)21-16(2)29-14-37-21)30-23(34)20-12-19(33)13-32(20)24(35)22(26(3,4)5)31-25(36)27(28)10-11-27/h6-9,14-15,19-20,22,33H,10-13H2,1-5H3,(H,30,34)(H,31,36)/t15-,19+,20-,22+/m0/s1
SMILES: Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O
Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)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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