Structure of PDB 6i8m Chain A

Receptor sequence
>6i8mA (length=348) Species: 9031 (Gallus gallus) [Search protein sequence]
KSKLAKPIQDLIKMIFDVESMKKAMVEFEIDLQKMPLGKLSKRQIQSAYS
ILNEVQQAVSDGGSESQILDLSNRFYTLIPHDFGMKKPPLLSNLEYIQAK
VQMLDNLLDIEVAYSLLRGGNEDGDKDPIDINYEKLRTDIKVVDKDSEEA
KIIKQYVKNTHAATHNAYDLKVVEIFRIEREGESQRYKPFKQLHNRQLLW
HGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTS
QADPIGLILLGEVALGNMYELKNASHITKLPKGKHSVKGLGKTAPDPTAT
TTLDGVEVPLGNGISTGINDTCLLYNEYIVYDVAQVNLKYLLKLKFNY
3D structure
PDB6i8m Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
ChainA
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S904 Y907 E988
Catalytic site (residue number reindexed from 1) S243 Y246 E327
Enzyme Commision number 2.4.2.-
2.4.2.30: NAD(+) ADP-ribosyltransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 H7W A H862 G863 G888 Y889 Y896 F897 S904 Y907 H201 G202 G227 Y228 Y235 F236 S243 Y246 PDBbind-CN: -logKd/Ki=7.80,Kd=0.016uM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6i8m, PDBe:6i8m, PDBj:6i8m
PDBsum6i8m
PubMed30996792
UniProtP26446|PARP1_CHICK Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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