2026-09-05_00000078|hard|29HO

Ternary complex of VCB, Baz2B-BD with compound 8; X-ray diffraction 2.45Å
Protein #1 104 residues (100% resolved)

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEAL(CAS)IEPFSSPPELPDVMK

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #2 97 residues (92% resolved)

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
Protein #3 117 residues (97% resolved)

SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVIKKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGHNMRKYFEKKWTDTFKVS

SMSVKKPKRDDSKDLALCSMILTEMETHEDAWPFLLPVNLKLVPGYKKVIKKPMDFSTIREKLSSGQYPNLETFALDVRLVFDNCETFNEDDSDIGRAGHNMRKYFEKKWTDTFKVS
Protein #4 162 residues (96% resolved)

GSMEAGRPRPVLRSVNSREPSQVIF(CAS)NRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
Non polymer #5 A1J2L

InChI=1S/C52H62FN11O5S/c1-34-46(70-33-57-34)38-15-16-39(27-55-48(66)42-24-41(65)31-64(42)49(67)47(51(2,3)4)60-50(68)52(53)18-19-52)43(23-38)69-22-10-8-6-7-9-20-63-29-36(26-59-63)17-21-62-32-56-44(40-28-58-61(5)30-40)45(62)37-13-11-35(25-54)12-14-37/h11-16,23,26,28-30,32-33,41-42,47,65H,6-10,17-22,24,27,31H2,1-5H3,(H,55,66)(H,60,68)/t41-,42+,47-/m1/s1

Cc1c(scn1)c2ccc(c(c2)OCCCCCCCn3cc(cn3)CCn4cnc(c4c5ccc(cc5)C#N)c6cnn(c6)C)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O
Non polymer #6 CAC

InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1

C[As](=O)(C)[O-]
Non polymer #7 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference