Structure of PDB 4ui3 Chain B

Receptor sequence
>4ui3B (length=162) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVC
NKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRV
TLGKSFLQFSAM
3D structure
PDB4ui3 Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
ChainB
Resolution2.0 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 06R B H1031 G1032 S1033 F1035 Y1050 Y1060 A1062 K1067 S1068 Y1071 H80 G81 S82 F84 Y99 Y109 A111 K116 S117 Y120 MOAD: ic50=133nM
BindingDB: IC50=133nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4ui3, PDBe:4ui3, PDBj:4ui3
PDBsum4ui3
PubMed27163581
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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