Structure of PDB 4j3l Chain A

Receptor sequence
>4j3lA (length=209) Species: 9606 (Homo sapiens) [Search protein sequence]
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVC
NKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYI
GGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRV
TLGKSFLQFSAMMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYL
ITYQIMRPE
3D structure
PDB4j3l Fragment-based ligand design of novel potent inhibitors of tankyrases.
ChainA
Resolution2.09 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 C1081 H1084 C1089 C1092 C130 H133 C138 C141
BS02 AJ5 A H1031 G1032 F1035 Y1050 Y1060 S1068 Y1071 G1074 I1075 E1138 H80 G81 F84 Y99 Y109 S117 Y120 G123 I124 E186 MOAD: Kd=0.016uM
PDBbind-CN: -logKd/Ki=7.80,Kd=16nM
Gene Ontology
Molecular Function
GO:0003950 NAD+-protein poly-ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:4j3l, PDBe:4j3l, PDBj:4j3l
PDBsum4j3l
PubMed23672613
UniProtQ9H2K2|TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (Gene Name=TNKS2)

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