Brand  (β version)

PDB ID: 4UVX

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
SO4 Sulfate ion PoSSuM
GOL Glycerol PoSSuM
ZN Zinc ion PoSSuM
H2W 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2h)-one PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4UVX   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-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 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 BL21(DE3)  (taxid:469008)
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 :

Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.

Paine, H.A.,Nathubhai, A.,Woon, E.C.Y.  et al.
(2015)  Bioorg.Med.Chem.  23 : 5891

PubMed: 26189030
DOI: 10.1016/J.BMC.2015.06.061

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
-
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