Structure of PDB 4i9i Chain A

Receptor sequence
>4i9iA (length=212) Species: 9606 (Homo sapiens) [Search protein sequence]
QGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKV
VNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAY
IGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCR
VTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPE
YLITYQIMKPEH
3D structure
PDB4i9i Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
ChainA
Resolution2.4 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 C131 H134 C139 C142
BS02 1DY A H1184 G1185 F1188 A1191 G1196 D1198 H1201 Y1203 I1212 Y1213 F1214 A1215 S1221 Y1224 E1291 H81 G82 F85 A88 G93 D95 H98 Y100 I109 Y110 F111 A112 S118 Y121 E188 MOAD: ic50=0.008uM
PDBbind-CN: -logKd/Ki=8.10,IC50=0.008uM
BindingDB: IC50=8.0nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4i9i, PDBe:4i9i, PDBj:4i9i
PDBsum4i9i
PubMed23316926
UniProtO95271|TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (Gene Name=TNKS)

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