Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
92R 3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2h)-one
EDO 1,2-ethanediol
GOL Glycerol
ZN Zinc ion
Code : 4UW1
Header : TRANSFERASE
Title : X-ray crystal structure of human TNKS in complex with a small molecule inhibitor
Release Data : 2015-07-08
Compound :
mol_id molecule chains synonym
1 TANKYRASE-1 A,B,C,D,E,F,G,H TANK1, ADP-RIBOSYLTRANSFERASE DIPHTHERIA TOXIN-LIKE 5, ARTD 5, POLY ADP-RIBOSE POLYMERASE 5A, TNKS-1, TRF1-INTERACTING ANKYRIN -RELATED ADP-RIBOSE POLYMERASE, TANKYRASE I, TANK1, ADP-RIBOSYLTRA NSFERASE DIPHTHERIA TOXIN-LIKE 5, ARTD 5, POLY ADP-RIBOSE POLYMERA SE 5A, TNKS-1, TRF1-INTERACTING ANKYRIN -RELATED ADP-RIBOSE POLYME RASE, TANKYRASE I
ec: 2.4.2.30
fragment: CATALYTIC DOMAIN, RESIDUES 1091-1325
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
expression_system_vector_type: PLASMID
expression_system_plasmid: PNIC-BSA4-TNKS1
Authors : Oliver, A.W., Rajasekaran, M.B., Pearl, L.H.
Keywords : TRANSFERASE, TNKS, INHIBITOR, WNT SIGNALLING
Exp. method : X-RAY DIFFRACTION ( 3.370 Å )
Citation :

Design and Discovery of 3-Aryl-5-Substituted-Isoquinolin-1-Ones as Potent and Selective Tankyrase Inhibitors

Elliot, R.J.,Jarvis, A.,Rajasekaran, M.B.  et al.
(2015)  Medchemcommm  6 : 1687

DOI: 10.1039/C5MD00210A

Chain : A, B, C, D, E, F, G, H
UniProt : O95271 (TNKS1_HUMAN)
Reaction : NAD(+) + (ADP-D-ribosyl)(n)-acceptor = nicotinamide + (ADP-D-ribosyl)(n+1)-acceptor.