2025-11-08_00000069|ligand|9HYB

CRYSTAL STRUCTURE OF THE SMARCA2-VCB-COMPLEX WITH PROTAC P3; X-ray diffraction 2.84Å
Protein #1 104 residues (100% resolved)

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #2 97 residues (97% resolved)

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Protein #3 162 residues (93% resolved)

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Protein #4 123 residues (93% resolved)

SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE

SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE
Non polymer #5 A1IYB

InChI=1S/C60H76BrN9O8S/c1-36-52(79-35-62-36)39-18-16-38(17-19-39)45(63-54(72)49-29-41(71)32-68(49)56(74)53(59(2,3)4)64-57(75)60(22-23-60)66(5)6)34-76-28-26-67-24-20-37(21-25-67)43-30-47-48(31-50(43)78-33-42-13-10-27-77-42)70-46-15-9-14-44(61)51(46)55(73)65-58(70)69(47)40-11-7-8-12-40/h9,14-19,30-31,35,37,40-42,45,49,53,71H,7-8,10-13,20-29,32-34H2,1-6H3,(H2,63,64,72,75)/p+1/t41-,42+,45+,49+,53-/m1/s1

Cc1c(scn1)c2ccc(cc2)[C@H](COCCN3CCC(CC3)c4cc5c(cc4OC[C@@H]6CCCO6)n-7c([n+]5C8CCCC8)NC(=O)c9c7cccc9Br)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)C1(CC1)N(C)C)O
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Reference