Structure of PDB 4i9i Chain B

Receptor sequence
>4i9iB (length=211) Species: 9606 (Homo sapiens) [Search protein sequence]
QGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKV
VNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAY
IGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCR
VTLGKSFLQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPE
YLITYQIMKPE
3D structure
PDB4i9i Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
ChainB
Resolution2.4 Å
3D
structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 B C1234 H1237 C1242 C1245 C131 H134 C139 C142
BS02 1DY B H1184 G1185 F1188 A1191 G1196 D1198 H1201 I1212 Y1213 F1214 A1215 S1221 Y1224 E1291 H81 G82 F85 A88 G93 D95 H98 I109 Y110 F111 A112 S118 Y121 E188 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)

[Back to BioLiP]