Structure of PDB 4k4e Chain A

Receptor sequence
>4k4eA (length=208) Species: 9606 (Homo sapiens) [Search protein sequence]
QGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKV
VNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAY
IGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCR
VTLGKSFLQFSTMKMAHAPPGHHSVIGRPSAYAEYVIYRGEQAYPEYLIT
YQIMKPEH
3D structure
PDB4k4e Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
ChainA
Resolution2.3 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 K4E A H1184 S1186 F1188 I1192 F1197 D1198 H1201 Y1203 I1212 Y1213 Y1224 G1227 H81 S83 F85 I89 F94 D95 H98 Y100 I109 Y110 Y121 G124 PDBbind-CN: -logKd/Ki=7.62,IC50=24nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4k4e, PDBe:4k4e, PDBj:4k4e
PDBsum4k4e
PubMed23701517
UniProtO95271|TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (Gene Name=TNKS)

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