Structure of PDB 5ece Chain C

Receptor sequence
>5eceC (length=203) Species: 9606 (Homo sapiens) [Search protein sequence]
AGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGGIFNRYNVIRIQKV
VNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDERHAA
GIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSF
LQFSTIKMAHAPPGHHSVIGRPSVLAYAEYVIYRGEQAYPEYLITYQIMK
PEA
3D structure
PDB5ece Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
ChainC
Resolution2.2 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 5N2 C H1184 G1185 F1188 I1192 F1197 H1201 I1212 Y1213 K1220 S1221 Y1224 E1291 H81 G82 F85 I89 F94 H98 I102 Y103 K110 S111 Y114 E179 MOAD: ic50=9nM
BindingDB: IC50=9.0nM
BS02 ZN C C1234 H1237 C1242 C1245 C124 H127 C132 C135
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5ece, PDBe:5ece, PDBj:5ece
PDBsum5ece
PubMed26546219
UniProtO95271|TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (Gene Name=TNKS)

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