Structure of PDB 4pjt Chain B

Receptor sequence
>4pjtB (length=332) Species: 9606 (Homo sapiens) [Search protein sequence]
KSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYS
ILSEVQQAVSDSQILDLSNRFYTLIPHDPLLNNADSVQAKVEMLDNLLDI
EVAYSLLRGSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTH
NAYDLEVIDIFKIEREGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQG
LRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLILLGEVAL
GNMYELKHASSKLPKGKHSVKGLGKTTPDPSANISLDGVDVPLGTGISSG
VNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFK
3D structure
PDB4pjt Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
ChainB
Resolution2.35 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) S228 Y231 E310
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 B H862 G863 G888 Y889 Y896 F897 K903 S904 Y907 H186 G187 G212 Y213 Y220 F221 K227 S228 Y231 MOAD: ic50=0.57nM
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:4pjt, PDBe:4pjt, PDBj:4pjt
PDBsum4pjt
PubMed25195882
UniProtP09874|PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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