Brand  (β version)

PDB ID: 5AL5

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
SO4 Sulfate ion PoSSuM
JL9 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 5AL5   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
Release Data : 2015-07-29
Compound :
mol_id molecule chains synonym
1 TANKYRASE-2 A,B 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 PRO TEIN, TANKYRASE-RELATED PROTEIN, TANKYRASE 2
ec: 2.4.2.30
fragment: CATALYTIC DOMAIN
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: ROSETTA2
expression_system_vector_type: PLASMID
expression_system_plasmid: PNIC-BSA4
Authors : Nkizinkiko, Y., Lehtio, L.
Keywords : TRANSFERASE, PROTEIN-LIGAND COMPLEX, DIPHTHERIA TOXIN LIKE FOLD, ADP- RIBOSYLATION, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.05 Å )
Citation :

Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.

Nkizinkiko, Y.,Suneel Kumar, B.V.S.,Jeankumar, V.U.  et al.
(2015)  Bioorg.Med.Chem.  23 : 4139

PubMed: 26183543
DOI: 10.1016/J.BMC.2015.06.063

Reaction

Chain : A, B
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
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L-glutamyl-[protein] + NAD(+) = 5-O-(ADP-D-ribosyl)-L- glutamyl-[protein] + nicotinamide - ECO:0000305
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