Structure of PDB 4li6 Chain A

Receptor sequence
>4li6A (length=204) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVV
NKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRV
TLGKSFLQFSTIKMAHAPPGHHSVIGRPYAEYVIYRGEQAYPEYLITYQI
MKPE
3D structure
PDB4li6 Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor.
ChainA
Resolution2.05 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 C1234 H1237 C1242 C1245 C130 H133 C138 C141
BS02 1XO A H1184 G1185 P1187 F1188 Y1203 Y1213 A1215 K1220 S1221 Y1224 I1228 H80 G81 P83 F84 Y99 Y109 A111 K116 S117 Y120 I124 PDBbind-CN: -logKd/Ki=6.97,IC50=0.106uM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4li6, PDBe:4li6, PDBj:4li6
PDBsum4li6
PubMed23844574
UniProtO95271|TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (Gene Name=TNKS)

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