2024-01-13_00000204|ligand|8QJR

BRG1 bromodomain in complex with VBC via compound 17; X-ray diffraction 3.17Å
Protein #1 104 residues (99% resolved)

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #2 97 residues (90% resolved)

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Protein #3 162 residues (95% resolved)

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Protein #4 121 residues (91% resolved)

SMLSPNPPNLTKKMKKIVDAVIKYKDSSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLNDLEKDVMLLCQNAQTFNLEGSLIYEDSIVLQSVFTSVRQKIEKEDD

SMLSPNPPNLTKKMKKIVDAVIKYKDSSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLNDLEKDVMLLCQNAQTFNLEGSLIYEDSIVLQSVFTSVRQKIEKEDD
Non polymer #5 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #6 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

[O-]P(=O)([O-])[O-]
Non polymer #7 VLH

InChI=1S/C57H69N11O8S/c1-33(2)53(57(72)67-31-41(69)24-48(67)56(71)61-34(3)36-9-11-37(12-10-36)54-35(4)60-32-77-54)50-28-52(64-76-50)73-22-21-65-19-16-42(17-20-65)74-43-25-44(26-43)75-51-23-38(15-18-59-51)68-39-13-14-40(68)30-66(29-39)47-27-46(62-63-55(47)58)45-7-5-6-8-49(45)70/h5-12,15,18,23,27-28,32-34,39-44,48,53,69-70H,13-14,16-17,19-22,24-26,29-31H2,1-4H3,(H2,58,63)(H,61,71)/t34-,39?,40?,41+,43-,44-,48+,53+/m0/s1

Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](c4cc(no4)OCCN5CCC(CC5)OC6CC(C6)Oc7cc(ccn7)N8[C@@H]9CC[C@H]8CN(C9)c1cc(nnc1N)c1ccccc1O)C(C)C)O
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Reference