Structure of PDB 4krs Chain A

Receptor sequence
>4krsA (length=204) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKVV
NKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRV
TLGKSFLQFSTIKMAHAPPGHHSVIGRAYAEYVIYRGEQAYPEYLITYQI
MKPE
3D structure
PDB4krs Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases.
ChainA
Resolution2.29 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 C130 H133 C138 C141
BS02 1SX A H1184 G1185 S1186 F1188 Y1203 Y1213 S1221 Y1224 H80 G81 S82 F84 Y99 Y109 S117 Y120 MOAD: ic50=0.299uM
PDBbind-CN: -logKd/Ki=6.52,IC50=0.299uM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4krs, PDBe:4krs, PDBj:4krs
PDBsum4krs
PubMed23879431
UniProtO95271|TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (Gene Name=TNKS)

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