Structure of PDB 4n3r Chain A

Receptor sequence
>4n3rA (length=212) Species: 9606 (Homo sapiens) [Search protein sequence]
QGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKV
VNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAY
IGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCR
VTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPE
YLITYQIMKPEH
3D structure
PDB4n3r Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ChainA
Resolution1.9 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 2GU A H1184 G1185 F1188 D1198 H1201 I1212 Y1213 S1221 Y1224 E1291 H81 G82 F85 D95 H98 I109 Y110 S118 Y121 E188 MOAD: ic50=0.15uM
PDBbind-CN: -logKd/Ki=6.82,IC50=0.15uM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4n3r, PDBe:4n3r, PDBj:4n3r
PDBsum4n3r
PubMed24900633
UniProtO95271|TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (Gene Name=TNKS)

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