Structure of PDB 5nsp Chain B

Receptor sequence
>5nspB (length=162) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVC
NKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRV
TLGKSFLQFSAM
3D structure
PDB5nsp Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach.
ChainB
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 B C1081 H1084 C1089 C1092 C130 H133 C138 C141
BS02 97E B H1031 S1033 F1035 I1039 F1044 D1045 H1048 A1049 I1051 Y1060 Y1071 I1075 H80 S82 F84 I88 F93 D94 H97 A98 I100 Y109 Y120 I124 MOAD: ic50=0.34uM
PDBbind-CN: -logKd/Ki=6.47,IC50=0.34uM
BindingDB: IC50=>10000nM
BS03 BCT B H1031 G1032 S1068 H80 G81 S117
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5nsp, PDBe:5nsp, PDBj:5nsp
PDBsum5nsp
PubMed29155568
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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