Structure of PDB 3pax Chain A

Receptor sequence
>3paxA (length=350) Species: 9031 (Gallus gallus) [Search protein sequence]
KSKLAKPIQDLIKMIFDVESMKKAMVEFEIDLQKMPLGKLSKRQIQSAYS
ILNEVQQAVSDGGSESQILDLSNRFYTLIPHDFGMKKPPLLSNLEYIQAK
VQMLDNLLDIEVAYSLLRGGNEDGDKDPIDINYEKLRTDIKVVDKDSEEA
KIIKQYVKNTHAATHNAYDLKVVEIFRIEREGESQRYKPFKQLHNRQLLW
HGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTS
QADPIGLILLGEVALGNMYELKNASHITKLPKGKHSVKGLGKTAPDPTAT
TTLDGVEVPLGNGISTGINDTCLLYNEYIVYDVAQVNLKYLLKLKFNYKT
3D structure
PDB3pax Inhibitor and NAD+ binding to poly(ADP-ribose) polymerase as derived from crystal structures and homology modeling.
ChainA
Resolution2.4 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 3MB A H862 G863 Y896 F897 K903 S904 Y907 E988 H201 G202 Y235 F236 K242 S243 Y246 E327 MOAD: ic50=10uM
PDBbind-CN: -logKd/Ki=5.00,IC50=10uM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3pax, PDBe:3pax, PDBj:3pax
PDBsum3pax
PubMed9521710
UniProtP26446|PARP1_CHICK Poly [ADP-ribose] polymerase 1 (Gene Name=PARP1)

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