Brand  (β version)

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hetatm:

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information
centroid:
interaction residue:

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Ligands
Code Name Link
F35 3-[[4-(4-oxidanylidene-3h-quinazolin-2-yl)phenyl]methyl]imidazolidine-2,4-dione
GOL Glycerol
SO4 Sulfate ion
ZN Zinc ion
Code : 4BUX   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of human tankyrase 2 in complex with 3-((4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)methyl)imidazolidine-2,4-dione
Release Data : 2013-10-30
Compound :
mol_id molecule chains synonym
1 TANKYRASE-2 A,C TANK2, ADP-RIBOSYLTRANSFERASE DIPHTHERIA TOXIN-LIKE 6, ARTD 6, 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, RESIDUES 946-1162
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: ROSETTA 2
expression_system_vector_type: PLASMID
expression_system_plasmid: PNIC28-BSA4
Authors : Haikarainen, T., Narwal, M., Lehtio, L.
Keywords : TRANSFERASE, PROTEIN-LIGAND COMPLEX, DIPHTHERIA TOXIN LIKE FOLD, ADP-RIBOSYLATION, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.95 Å )
Citation :

Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.

Haikarainen, T.,Koivunen, J.,Narwal, M.  et al.
(2013)  Chemmedchem  8 : 1978

PubMed: 24130191
DOI: 10.1002/CMDC.201300337

Chain : A, C
UniProt : Q9H2K2 (TNKS2_HUMAN)
Reaction : Reaction=NAD(+) + (ADP-D-ribosyl)(n)-acceptor = nicotinamide + (ADP-D- ribosyl)(n+1)-acceptor.; EC=2.4.2.30; Evidence={ECO:0000269|PubMed:19759537, ECO:0000269|PubMed:21478859};
Reaction=L-aspartyl-[protein] + NAD(+) = 4-O-(ADP-D-ribosyl)-L- aspartyl-[protein] + nicotinamide; Xref=Rhea:RHEA:54424, Rhea:RHEA- COMP:9867, Rhea:RHEA-COMP:13832, ChEBI:CHEBI:17154, ChEBI:CHEBI:29961, ChEBI:CHEBI:57540, ChEBI:CHEBI:138102; Evidence={ECO:0000305}; PhysiologicalDirection=left-to-right; Xref=Rhea:RHEA:54425; Evidence={ECO:0000305};
Reaction=L-glutamyl-[protein] + NAD(+) = 5-O-(ADP-D-ribosyl)-L- glutamyl-[protein] + nicotinamide; Xref=Rhea:RHEA:58224, Rhea:RHEA- COMP:10208, Rhea:RHEA-COMP:15089, ChEBI:CHEBI:17154, ChEBI:CHEBI:29973, ChEBI:CHEBI:57540, ChEBI:CHEBI:142540; Evidence={ECO:0000305}; PhysiologicalDirection=left-to-right; Xref=Rhea:RHEA:58225; Evidence={ECO:0000305};