Structure of PDB 5nut Chain A

Receptor sequence
>5nutA (length=209) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVC
NKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRV
TLGKSFLQFSAMMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYL
ITYQIMRPE
3D structure
PDB5nut 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
ChainA
Resolution1.6 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 A C1081 H1084 C1089 C1092 C130 H133 C138 C141
BS02 9A8 A H1031 G1032 P1034 Y1050 Y1060 K1067 S1068 Y1071 I1075 H80 G81 P83 Y99 Y109 K116 S117 Y120 I124 MOAD: ic50=12nM
PDBbind-CN: -logKd/Ki=7.92,IC50=12nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5nut, PDBe:5nut, PDBj:5nut
PDBsum5nut
PubMed29374194
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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