2025-10-18_00000192|ligand|9HYO

CRYSTAL STRUCTURE OF THE SMARCA2-VCB-COMPLEX WITH PROTAC P4; X-ray diffraction 3.74Å
Protein #1 123 residues (89% resolved)

SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE

SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE
Protein #2 104 residues (100% resolved)

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #3 97 residues (90% resolved)

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Protein #4 162 residues (92% resolved)

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Non polymer #5 A1IYN

InChI=1S/C56H71BrFN11O9S/c1-34-46(79-33-60-34)35-9-10-36(31-59-49(71)42-30-38(70)32-69(42)51(73)47(55(2,3)4)62-52(74)56(58)15-16-56)44(29-35)77-28-27-76-26-25-75-24-23-66-19-21-67(22-20-66)53-61-41-14-18-68(17-13-39(41)48(63-53)65(5)37-11-12-37)54-64-50(72)45-40(57)7-6-8-43(45)78-54/h6-10,29,33,37-38,42,47,70H,11-28,30-32H2,1-5H3,(H,59,71)(H,62,74)/t38-,42+,47-/m1/s1

Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4nc5c(c(n4)N(C)C6CC6)CCN(CC5)C7=NC(=O)c8c(cccc8Br)O7)CNC(=O)[C@@H]9C[C@H](CN9C(=O)[C@H](C(C)(C)C)NC(=O)C1(CC1)F)O
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Reference