Structure of PDB 4tvj Chain A

Receptor sequence
>4tvjA (length=357) Species: 9606 (Homo sapiens) [Search protein sequence]
DLGTENLYFQSMDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTV
AQIKAGYQSLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIR
TQKELSEKIQLLEALGDIEIAIKLVKTELQSPEHPLDQHYRNLHCALRPL
DHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHN
RMLLWHGSRMSNWVGILSHGLRIAHPEAPITGYMFGKGIYFADMSSKSAN
YCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMA
PSSAHFVTLNGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYL
LKVQFNF
3D structure
PDB4tvj Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
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) K264 A265 I289 F305 T307 S470 Y473 E558
Catalytic site (residue number reindexed from 1) K42 A43 I67 F83 T85 S248 Y251 E336
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 09L A E335 H428 G429 R444 Y455 Y462 F463 S470 Y473 E113 H206 G207 R222 Y233 Y240 F241 S248 Y251 MOAD: ic50=251nM
PDBbind-CN: -logKd/Ki=7.91,IC50=12.3nM
BindingDB: IC50=2.8nM,Kd=0.280000nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4tvj, PDBe:4tvj, PDBj:4tvj
PDBsum4tvj
PubMed28001384
UniProtQ9UGN5|PARP2_HUMAN Poly [ADP-ribose] polymerase 2 (Gene Name=PARP2)

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