Brand  (β version)

PDB ID: 4L33

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
SO4 Sulfate ion PoSSuM
F70 Cyanomethyl 4-(4-oxo-4h-chromen-2-yl)benzoate PoSSuM
PEG Di(hydroxyethyl)ether PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4L33   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
Release Data : 2013-10-30
Compound :
mol_id molecule chains synonym
1 Tankyrase-2 A,B TANK2, ADP-ribosyltransferase diphtheria toxin-like 6, ARTD6, Poly [ADP-ribose] polymerase 5B, TNKS-2, TRF1-interacting ankyrin-related ADP-ribose polymerase 2, Tankyrase II, Tankyrase-like protein, Tankyrase-related protein
ec: 2.4.2.30
fragment: C-terminal fragment, UNP residues 946-1113
mol_id molecule chains
2 Tankyrase-2 C,D
ec: 2.4.2.30
fragment: C-terminal fragment, UNP residues 1114-1162
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: TNKS2, PARP5B, TANK2, TNKL
expression_system_strain: Rosetta 2(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pNIC-Bsa4
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: TNKS2, PARP5B, TANK2, TNKL
expression_system_strain: Rosetta 2(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pNIC-Bsa4
Authors : Narwal, M., Haikarainen, T., Lehtio, L.
Keywords : PROTEIN-LIGAND COMPLEX, DIPHTHERIA TOXIN LIKE FOLD, TRANSFERASE, ADP-RIBOSYLATION, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.10 Å )
Citation :

Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.

Narwal, M.,Koivunen, J.,Haikarainen, T.  et al.
(2013)  J.Med.Chem.  56 : 7880 - 7889

PubMed: 24116873
DOI: 10.1021/jm401463y

Reaction

Chain : C, D
UniProt : Q9H2K2 (TNKS2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
NAD(+) + (ADP-D-ribosyl)n-acceptor = nicotinamide + (ADP-D- ribosyl)n+1-acceptor + H(+). 2.4.2.30 PubMed:19759537, PubMed:21478859
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L-aspartyl-[protein] + NAD(+) = 4-O-(ADP-D-ribosyl)-L- aspartyl-[protein] + nicotinamide - ECO:0000305
left-to-right
L-glutamyl-[protein] + NAD(+) = 5-O-(ADP-D-ribosyl)-L- glutamyl-[protein] + nicotinamide - ECO:0000305
left-to-right