Structure of PDB 3kjd Chain A

Receptor sequence
>3kjdA (length=350) Species: 9606 (Homo sapiens) [Search protein sequence]
TENLYFQSMDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQI
KAGYQSLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQK
ELSEKIQLLEALGDIEIAIKLVKSPEHPLDQHYRNLHCALRPLDHESYEF
KVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHNRMLLWHG
SRMSNWVGILSHGLRIAHPEAPITGYMFGKGIYFADMSSKSANYCFASRL
KNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHFV
TLNGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYLLKVQFNF
3D structure
PDB3kjd Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
ChainA
Resolution1.95 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) K264 A265 I289 F305 T307 S470 Y473 E558
Catalytic site (residue number reindexed from 1) K39 A40 I64 F80 T82 S241 Y244 E329
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 78P A H428 G429 Y462 S470 Y473 H199 G200 Y233 S241 Y244 MOAD: Kd=2.9nM
PDBbind-CN: -logKd/Ki=8.54,Kd=2.9nM
BindingDB: IC50=1.3nM,Kd=5.8nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3kjd, PDBe:3kjd, PDBj:3kjd
PDBsum3kjd
PubMed20092359
UniProtQ9UGN5|PARP2_HUMAN Poly [ADP-ribose] polymerase 2 (Gene Name=PARP2)

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