Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T38087 Target Info
Target Name Tankyrase-2 (TNKS-2)
Synonyms Tankyrase-related protein; Tankyrase-like protein; Tankyrase II; TRF1-interacting ankyrin-related ADP-ribose polymerase 2; TNKL; TANK2; Protein poly-ADP-ribosyltransferase tankyrase-2; Poly [ADP-ribose] polymerase tankyrase-2; Poly [ADP-ribose] polymerase 5B; PARP5B; ARTD6; ADP-ribosyltransferase diphtheria toxin-like 6
Target Type Clinical trial Target
Gene Name TNKS2
Biochemical Class Glycosyltransferases
UniProt ID
TNKS2_HUMAN
Ligand General Information  Top
Ligand Name PJ34 Ligand Info
Canonical SMILES CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32
InChI 1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKey UYJZZVDLGDDTCL-UHFFFAOYSA-N
PubChem Compound ID 4858
Drug Binding Sites of Target  Top
PDB ID: 4BJB      Crystal structure of human tankyrase 2 in complex with PJ-34
Method X-ray diffraction Resolution 2.30 Å Mutation No [1]
PDB Sequence
GTILIDLSPD
961
DKEFQSVEEE
971
MQSTVREHRD
981
GGHAGGIFNR
991
YNILKIQKVC
1001

NKKLWERYTH
1011
RRKEVSEENH
1021
NHANERMLFH
1031
GSPFVNAIIH
1041
KGFDEMFGAG
1058

IYFAENSSKS
1068
NQYVYGIGGG
1078
TGCPVHKDRS
1088
CYICHRQLLF
1098
CRVTLGKSFL
1108

QFSAAHSPPG
1121
HHSVTGRPSV
1131
NGLALAEYVI
1141
YRGEQAYPEY
1151
LITYQIMRPE
1161
Residue
Distance (Å)
PHE1030
4.111
HIS1031
3.597
GLY1032
2.867
TYR1060
3.238
PHE1061
3.938
ALA1062
3.682
Residue
Distance (Å)
LYS1067
3.392
SER1068
2.907
TYR1071
3.516
ILE1075
3.615
GLU1138
3.498
PDB ID: 4TJW      Crystal Structure of human Tankyrase 2 in complex with PJ-34.
Method X-ray diffraction Resolution 1.70 Å Mutation No [2]
PDB Sequence
KEFQSVEEEM
972
QSTVREHRDG
982
GHAGGIFNRY
992
NILKIQKVCN
1002
KKLWERYTHR
1012

RKEVSEENHN
1022
HANERMLFHG
1032
SPFVNAIIHK
1042
GFDERHAYIG
1052
GMFGAGIYFA
1062

ENSSKSNQYV
1072
YGIGGGTGCP
1082
VHKDRSCYIC
1092
HRQLLFCRVT
1102
LGKSFLQFSA
1112

MKMAHSPPGH
1122
HSVTGRPSVN
1132
GLALAEYVIY
1142
RGEQAYPEYL
1152
ITYQIMRPE
Residue
Distance (Å)
PHE1030
3.904
HIS1031
3.415
GLY1032
2.875
ALA1049
4.169
TYR1050
3.321
GLY1052
3.575
GLY1053
3.362
GLY1056
3.509
ALA1057
4.374
Residue
Distance (Å)
GLY1058
3.341
TYR1060
3.244
PHE1061
3.632
ALA1062
3.796
LYS1067
3.607
SER1068
2.875
TYR1071
3.365
ILE1075
3.305
GLU1138
3.496
References  Top
REF 1 Evaluation and Structural Basis for the Inhibition of Tankyrases by PARP Inhibitors. ACS Med Chem Lett. 2013 Nov 20;5(1):18-22.
REF 2 Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr D Biol Crystallogr. 2014 Oct;70(Pt 10):2740-53.

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