Structure of PDB 4hyf Chain A

Receptor sequence
>4hyfA (length=227) Species: 9606 (Homo sapiens) [Search protein sequence]
GTENLYFQSMLNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHA
GGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPF
VNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHK
DRSCYICHRQLLFCRVTLGKSFLQFSAMKMAHSPPGHHSVTGRPSVNGLA
LAEYVIYRGEQAYPEYLITYQIMRPEG
3D structure
PDB4hyf Structural Basis and SAR for G007-LK, a Lead Stage 1,2,4-Triazole Based Specific Tankyrase 1/2 Inhibitor.
ChainA
Resolution2.8 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 NCA A H1031 G1032 Y1060 F1061 A1062 S1068 Y1071 E1138 H96 G97 Y125 F126 A127 S133 Y136 E203
BS02 ZN A C1081 H1084 C1089 C1092 C146 H149 C154 C157
BS03 1AK A F1035 A1038 D1045 H1048 A1049 I1059 Y1060 Y1071 I1075 F100 A103 D110 H113 A114 I124 Y125 Y136 I140 PDBbind-CN: -logKd/Ki=7.60,IC50=0.025uM
BindingDB: IC50=86nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4hyf, PDBe:4hyf, PDBj:4hyf
PDBsum4hyf
PubMed23473363
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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