Structure of PDB 4w5i Chain B

Receptor sequence
>4w5iB (length=209) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVC
NKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRV
TLGKSFLQFSAMMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYL
ITYQIMRPE
3D structure
PDB4w5i Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
ChainB
Resolution1.95 Å
3D
structure
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Enzymatic activity
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 ZN B C1081 H1084 C1089 C1092 C130 H133 C138 C141
BS02 3GX B H1031 G1032 Y1050 Y1060 F1061 A1062 S1068 Y1071 E1138 H80 G81 Y99 Y109 F110 A111 S117 Y120 E186 MOAD: ic50=97nM
BindingDB: IC50=189nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4w5i, PDBe:4w5i, PDBj:4w5i
PDBsum4w5i
PubMed26026769
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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