Structure of PDB 4ufu Chain B

Receptor sequence
>4ufuB (length=209) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVC
NKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRV
TLGKSFLQFSAMMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYL
ITYQIMRPE
3D structure
PDB4ufu Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
ChainB
Resolution2.1 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 2ZI B H1031 G1032 S1033 P1034 F1035 Y1050 Y1060 F1061 A1062 S1068 Y1071 E1138 H80 G81 S82 P83 F84 Y99 Y109 F110 A111 S117 Y120 E186 MOAD: ic50=10nM
BindingDB: IC50=10nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4ufu, PDBe:4ufu, PDBj:4ufu
PDBsum4ufu
PubMed27163581
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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