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 3-aminobenzamide Ligand Info
Canonical SMILES C1=CC(=CC(=C1)N)C(=O)N
InChI 1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey GSCPDZHWVNUUFI-UHFFFAOYSA-N
PubChem Compound ID 1645
Drug Binding Sites of Target  Top
PDB ID: 4PML      Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide.
Method X-ray diffraction Resolution 1.87 Å Mutation No [1]
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
HSVTGRPSVG
1133
LALAEYVIYR
1143
GEQAYPEYLI
1153
TYQIMRPE
Residue
Distance (Å)
PHE1030
3.981
HIS1031
3.456
GLY1032
2.777
TYR1060
3.549
PHE1061
3.453
Residue
Distance (Å)
ALA1062
3.769
LYS1067
3.684
SER1068
2.798
TYR1071
3.216
GLU1138
3.705
PDB ID: 4TKF      Crystal Structure of human Tankyrase 2 in complex with IWR-1.
Method X-ray diffraction Resolution 2.60 Å Mutation No [1]
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
LITYQIMRP
Residue
Distance (Å)
PHE1030
4.023
HIS1031
3.380
GLY1032
2.590
SER1033
4.811
MET1054
3.488
TYR1060
3.401
Residue
Distance (Å)
PHE1061
3.060
ALA1062
3.588
LYS1067
3.600
SER1068
3.272
TYR1071
3.189
GLU1138
3.101
References  Top
REF 1 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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