2024-02-03_00000058|ligand|8FYY

Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10); X-ray diffraction 2.80Å
Protein #1 271 residues (88% resolved)

MGSSHHHHHHSSGLVPRGSHMTKSKLPKPVQDLIKMIFGSGSGSGGDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTS

MGSSHHHHHHSSGLVPRGSHMTKSKLPKPVQDLIKMIFGSGSGSGGDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTS
Non polymer #2 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Non polymer #3 PEG

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

C(COCCO)O
Non polymer #4 YH0

InChI=1S/C24H20N6O2/c25-22(31)16-4-3-7-19-21(16)30-23(29-19)14-8-10-15(11-9-14)24(32)26-13-12-20-27-17-5-1-2-6-18(17)28-20/h1-11H,12-13H2,(H2,25,31)(H,26,32)(H,27,28)(H,29,30)

c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N
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Reference