Structure of PDB 4i9i Chain C

Receptor sequence
>4i9iC (length=209) Species: 9606 (Homo sapiens) [Search protein sequence]
QGTILLDLAPEDKEYQSVEEEMQSTIREHRDGAGGIFNRYNVIRIQKVVN
KKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYIG
GMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVT
LGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYL
ITYQIMKPE
3D structure
PDB4i9i Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
ChainC
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 C C1234 H1237 C1242 C1245 C129 H132 C137 C140
BS02 1DY C H1184 G1185 F1188 I1192 G1196 D1198 H1201 I1212 Y1213 F1214 A1215 S1221 Y1224 E1291 H79 G80 F83 I87 G91 D93 H96 I107 Y108 F109 A110 S116 Y119 E186 MOAD: 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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