2026-05-16_00000308
|
ligand
|
9SZO
Crystal structure of the catalytic domain of USP7 in complex with Compound 13;
X-ray diffraction 2.57Å
Protein #1
353 residues (91% resolved)
Raw Sequence ...
KKHTGYVGLKNQGATCYMNSLLQTLFFTNQLRKAVYMMPTEGDDSSKSVPLALQRVFYELQHSDKPVGTKKLTKSFGWETLDSFMQHDVQELCRVLLDNVENKMKGTCVEGTIPKLFRGKMVSYIQCKEVDYRSDRREDYYDIQLSIKGKKNIFESFVDYVAVEQLDGDNKYDAGEHGLQEAEKGVKFLTLPPVLHLQLMRFMYDPQTDQNIKINDRFEFPEQLPLDEFLQKTDPKDPANYILHAVLVHSGDNHGGHYVVYLNPKGDGKWCKFDDDVVSRCTKEEAIEHNYGGHDDDLSVRHCTNAYMLVYIRESKLSEVLQAVTDHDIPQQLVERLQEEKRIEAQKRKERQE
Canonical Sequence ...
KKHTGYVGLKNQGATCYMNSLLQTLFFTNQLRKAVYMMPTEGDDSSKSVPLALQRVFYELQHSDKPVGTKKLTKSFGWETLDSFMQHDVQELCRVLLDNVENKMKGTCVEGTIPKLFRGKMVSYIQCKEVDYRSDRREDYYDIQLSIKGKKNIFESFVDYVAVEQLDGDNKYDAGEHGLQEAEKGVKFLTLPPVLHLQLMRFMYDPQTDQNIKINDRFEFPEQLPLDEFLQKTDPKDPANYILHAVLVHSGDNHGGHYVVYLNPKGDGKWCKFDDDVVSRCTKEEAIEHNYGGHDDDLSVRHCTNAYMLVYIRESKLSEVLQAVTDHDIPQQLVERLQEEKRIEAQKRKERQE
Non polymer #2
A1JSK
InChI=1S/C29H31ClN4O3S/c1-19-13-20(30)14-24-23-8-9-31-25-15-22(38-28(23)25)17-34-26(35)18-33(29(34)36)12-5-3-2-4-10-32-11-6-7-21(16-32)37-27(19)24/h2-3,8-9,13-15,21H,4-7,10-12,16-18H2,1H3/b3-2+/t21-/m0/s1
InChI=1S/C29H31ClN4O3S/c1-19-13-20(30)14-24-23-8-9-31-25-15-22(38-28(23)25)17-34-26(35)18-33(29(34)36)12-5-3-2-4-10-32-11-6-7-21(16-32)37-27(19)24/h2-3,8-9,13-15,21H,4-7,10-12,16-18H2,1H3/b3-2+/t21-/m0/s1
SMILES: Cc1cc(cc-2c1O[C@H]3CCC[N@@](C3)CC/C=C/CCN4CC(=O)N(C4=O)Cc5cc6c(c2ccn6)s5)Cl
Cc1cc(cc-2c1O[C@H]3CCC[N@@](C3)CC/C=C/CCN4CC(=O)N(C4=O)Cc5cc6c(c2ccn6)s5)Cl
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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