2026-07-11_00000116|ligand|9O6R

Co-crystal structure of caPCNA bound to the AOH1996 derivative, AOH2.29-LE; X-ray diffraction 2.87Å
Protein #1 261 residues (93% resolved)

MFEARLVQGSILKKVLEALKDLINEACWDISSSGVNLQSMDSSHVSLVQLTLRSEGFDTYRCDRNLAMGVNLTSMSKILKCAGNEDIITLRAEDNADTLALVFEAPNQEKVSDYEMKLMDLDVEQLGIPEQEYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNIKLSQTSNVDKEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSADVPLVVEYKIADMGHLKYYLAPKIEDEEGS

MFEARLVQGSILKKVLEALKDLINEACWDISSSGVNLQSMDSSHVSLVQLTLRSEGFDTYRCDRNLAMGVNLTSMSKILKCAGNEDIITLRAEDNADTLALVFEAPNQEKVSDYEMKLMDLDVEQLGIPEQEYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNIKLSQTSNVDKEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSADVPLVVEYKIADMGHLKYYLAPKIEDEEGS
Non polymer #2 CL

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

[Cl-]
Non polymer #3 XEU

InChI=1S/C29H26N2O4S/c1-19-13-15-21(16-14-19)36-26-12-5-4-11-24(26)30-29(35)25(17-18-27(32)33)31-28(34)23-10-6-8-20-7-2-3-9-22(20)23/h2-16,25H,17-18H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1

Cc1ccc(cc1)Sc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c3cccc4c3cccc4
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Reference