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 Olaparib Ligand Info
Canonical SMILES C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F
InChI 1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
InChIKey FDLYAMZZIXQODN-UHFFFAOYSA-N
PubChem Compound ID 23725625
Drug Binding Sites of Target  Top
PDB ID: 3U9Y      Crystal structure of human tankyrase 2 catalytic domain in complex with olaparib
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
KGFDERHAYI
1051

GGMFGAGIYF
1061
AENSSKSNQY
1071
VYGIGGGTGC
1081
PVHKDRSCYI
1091
CHRQLLFCRV
1101

TLGKSFLQFS
1111
AMAHSPPGHH
1123
SVTGRPSVNG
1133
LALAEYVIYR
1143
GEQAYPEYLI
1153

TYQIMRPE
Residue
Distance (Å)
PHE1030
3.966
HIS1031
3.405
GLY1032
2.653
SER1033
4.023
PHE1035
3.750
ALA1038
4.061
ILE1039
3.627
GLY1043
3.972
PHE1044
3.745
ASP1045
2.801
HIS1048
2.939
ALA1049
3.147
Residue
Distance (Å)
TYR1050
3.355
GLY1058
3.423
ILE1059
3.125
TYR1060
3.193
PHE1061
3.930
ALA1062
3.642
LYS1067
3.793
SER1068
2.792
TYR1071
3.516
ILE1075
3.404
GLU1138
3.093
PDB ID: 4TKG      Crystal Structure of human Tankyrase 2 in complex with AZD2281.
Method X-ray diffraction Resolution 1.95 Å Mutation No [2]
PDB Sequence
DKEFQSVEEE
971
MQSTVREHRD
981
GGHAGGIFNR
991
YNILKIQKVC
1001
NKKLWERYTH
1011

RRKEVSEENH
1021
NHANERMLFH
1031
GSPFVNAIIH
1041
KGFDERHAYI
1051
GGMFGAGIYF
1061

AENSSKSNQY
1071
VYGIGGGTGC
1081
PVHKDRSCYI
1091
CHRQLLFCRV
1101
TLGKSFLQFS
1111

AMKMAHSPPG
1121
HHSVTGRPSV
1131
NGLALAEYVI
1141
YRGEQAYPEY
1151
LITYQIMRPE
1161
Residue
Distance (Å)
PHE1030
3.894
HIS1031
3.356
GLY1032
2.693
SER1033
3.884
PHE1035
3.550
ALA1038
3.998
ILE1039
3.784
GLY1043
4.042
PHE1044
3.507
ASP1045
3.050
HIS1048
3.353
ALA1049
4.232
Residue
Distance (Å)
TYR1050
3.343
GLY1058
3.628
ILE1059
3.161
TYR1060
3.033
PHE1061
3.546
ALA1062
3.763
LYS1067
3.874
SER1068
2.818
TYR1071
3.353
ILE1075
3.239
GLU1138
3.626
References  Top
REF 1 Structural basis of selective inhibition of human tankyrases. J Med Chem. 2012 Feb 9;55(3):1360-7.
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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