Structure of PDB 4und Chain A

Receptor sequence
>4undA (length=356) Species: 9606 (Homo sapiens) [Search protein sequence]
NLYFQSMKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKR
QIQAAYSILSEVQQAVSQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNN
ADSVQAKAEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVV
DRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIEREGECQRYKPFKQL
HNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKS
ANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKT
TPDPSANISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLK
LKFNFK
3D structure
PDB4und Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
ChainA
Resolution2.2 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) S250 Y253 E334
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 2YQ A E763 H862 G863 Y889 Y896 S904 Y907 E109 H208 G209 Y235 Y242 S250 Y253 PDBbind-CN: -logKd/Ki=8.96,Kd=1.1nM
BindingDB: Ki=1.2nM,IC50=0.570000nM,EC50=2.5nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4und, PDBe:4und, PDBj:4und
PDBsum4und
PubMed28001384
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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