2025-03-01_00000069
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ligand
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8S4X
Tankyrase 2 in complex with a quinazolin-4-one inhibitor;
X-ray diffraction 2.50Å
Protein #1
171 residues (94% resolved)
Raw Sequence ...
SMLNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMK
Canonical Sequence ...
SMLNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMK
Protein #2
48 residues (98% resolved)
Raw Sequence ...
MAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPEG
Canonical Sequence ...
MAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPEG
Non polymer #3
A1H42
InChI=1S/C18H19N3O3/c1-18(2,3)12-9-7-11(8-10-12)16-19-15-13(17(22)20-16)5-4-6-14(15)21(23)24/h4-10,23-24H,1-3H3,(H,19,20,22)
InChI=1S/C18H19N3O3/c1-18(2,3)12-9-7-11(8-10-12)16-19-15-13(17(22)20-16)5-4-6-14(15)21(23)24/h4-10,23-24H,1-3H3,(H,19,20,22)
SMILES: CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3N(O)O)C(=O)N2
CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3N(O)O)C(=O)N2
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
hetero-1-1-mer
Download coordinates
Biounit #2
hetero-1-1-mer
Download coordinates
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Model
Reference
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