2026-01-10_00000189
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ligand
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9FRS
Human PARP10 ART domain bound to a phthalazinone-based inhibitor;
X-ray diffraction 2.02Å
Protein #1
198 residues (97% resolved)
Raw Sequence ...
MKGPWNNLERLAENTGEFQEVVRAFYDTLDAARSSIRVVRVERVSHPLLQQQYELYRERLLQRCERRPVEQVLYHGTTAPAVPDICAHGFNRSFCGRNATVYGKGVYFAKRASLSVQDRYSPPNADGHKAVFVARVLTGDYGQGRRGLRAPPLRGPGHVLLRYDSAVDCICQPSIFVIFHDTQALPTHLITCEHAHHH
Canonical Sequence ...
MKGPWNNLERLAENTGEFQEVVRAFYDTLDAARSSIRVVRVERVSHPLLQQQYELYRERLLQRCERRPVEQVLYHGTTAPAVPDICAHGFNRSFCGRNATVYGKGVYFAKRASLSVQDRYSPPNADGHKAVFVARVLTGDYGQGRRGLRAPPLRGPGHVLLRYDSAVDCICQPSIFVIFHDTQALPTHLITCEHAHHH
Non polymer #2
A1IFC
InChI=1S/C25H20FN7O2S/c1-14-12-32(13-21-29-30-22(33(14)21)24-27-8-9-36-24)25(35)18-10-15(6-7-19(18)26)11-20-16-4-2-3-5-17(16)23(34)31-28-20/h2-10,14H,11-13H2,1H3,(H,31,34)/t14-/m1/s1
InChI=1S/C25H20FN7O2S/c1-14-12-32(13-21-29-30-22(33(14)21)24-27-8-9-36-24)25(35)18-10-15(6-7-19(18)26)11-20-16-4-2-3-5-17(16)23(34)31-28-20/h2-10,14H,11-13H2,1H3,(H,31,34)/t14-/m1/s1
SMILES: C[C@@H]1CN(Cc2n1c(nn2)c3nccs3)C(=O)c4cc(ccc4F)CC5=NNC(=O)c6c5cccc6
C[C@@H]1CN(Cc2n1c(nn2)c3nccs3)C(=O)c4cc(ccc4F)CC5=NNC(=O)c6c5cccc6
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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