Structure of PDB 5aku Chain A

Receptor sequence
>5akuA (length=209) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVC
NKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRV
TLGKSFLQFSAMMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYL
ITYQIMRPE
3D structure
PDB5aku Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
ChainA
Resolution1.8 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 29F A H1031 G1032 F1035 Y1050 Y1060 F1061 A1062 S1068 Y1071 H80 G81 F84 Y99 Y109 F110 A111 S117 Y120 MOAD: ic50=150nM
PDBbind-CN: -logKd/Ki=6.82,IC50=150nM
BindingDB: IC50=8.7nM,EC50=1500nM
BS02 ZN A C1081 H1084 C1089 C1092 C130 H133 C138 C141
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5aku, PDBe:5aku, PDBj:5aku
PDBsum5aku
PubMed26183543
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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