Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Nicotinamide | Ligand Info | |||||
| Structure Description | Complex structure of human tankyrase 2 with nicotinamide | PDB:3U9H | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Rucaparib | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with Rucaparib | PDB:4BJC | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAGI1059 YFAENSSKSN 1069 QYVYGIGGGT1079 GCPVHKDRSC1089 YICHRQLLFC1099 RVTLGKSFLQ1109 FSHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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| Ligand Name: Olaparib | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with AZD2281. | PDB:4TKG | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRPE1161 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .09L or .09L2 or .09L3 or :309L;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1035 or .A:1038 or .A:1039 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1050 or .A:1058 or .A:1059 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Luteolin | Ligand Info | |||||
| Structure Description | Complex structure of human tankyrase 2 with luteolin | PDB:4HKN | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LU2 or .LU22 or .LU23 or :3LU2;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1030[A]
3.768
HIS1031[A]
3.481
GLY1032[A]
2.987
SER1033[A]
3.791
PHE1035[A]
3.768
ARG1047[A]
4.733
HIS1048[A]
3.734
ALA1049[A]
3.734
TYR1050[A]
3.706
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| Ligand Name: BSI-201 | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with BSI-201. | PDB:4TKI | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .33E or .33E2 or .33E3 or :333E;style chemicals stick;color identity;select .A:999 or .A:1000 or .A:1001 or .A:1002 or .A:1003 or .A:1006 or .A:1007 or .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1100 or .A:1138 or .A:1148 or .A:1150; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS999
3.387
VAL1000
3.660
CYS1001
3.319
ASN1002
2.936
LYS1003
3.600
TRP1006
3.355
GLU1007
4.437
PHE1030
3.895
HIS1031
3.504
GLY1032
2.871
SER1033
3.720
PRO1034
4.934
PHE1035
3.422
ALA1038
3.580
ILE1039
3.219
LYS1042
4.995
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| Ligand Name: PJ34 | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with PJ-34. | PDB:4TJW | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [3] |
| PDB Sequence |
KEFQSVEEEM
972 QSTVREHRDG982 GHAGGIFNRY992 NILKIQKVCN1002 KKLWERYTHR1012 RKEVSEENHN 1022 HANERMLFHG1032 SPFVNAIIHK1042 GFDERHAYIG1052 GMFGAGIYFA1062 ENSSKSNQYV 1072 YGIGGGTGCP1082 VHKDRSCYIC1092 HRQLLFCRVT1102 LGKSFLQFSA1112 MKMAHSPPGH 1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P34 or .P342 or .P343 or :3P34;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1049 or .A:1050 or .A:1052 or .A:1053 or .A:1056 or .A:1057 or .A:1058 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: DR2313 | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS-2 in complex with DR2313. | PDB:4PNL | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [3] |
| PDB Sequence |
KEFQSVEEEM
972 QSTVREHRDG982 GHAGGIFNRY992 NILKIQKVCN1002 KKLWERYTHR1012 RKEVSEENHN 1022 HANERMLFHG1032 SPFVNAIIHK1042 GFDERHAYIG1052 GMFGAGIYFA1062 ENSSKSNQYV 1072 YGIGGGTGCP1082 VHKDRSCYIC1092 HRQLLFCRVT1102 LGKSFLQFSA1112 MKMAHSPPGH 1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DRL or .DRL2 or .DRL3 or :3DRL;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C. | PDB:4TJU | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [3] |
| PDB Sequence |
KEFQSVEEEM
972 QSTVREHRDG982 GHAGGIFNRY992 NILKIQKVCN1002 KKLWERYTHR1012 RKEVSEENHN 1022 HANERMLFHG1032 SPFVNAIIHK1042 GFDERHAIGG1053 MFGAGIYFAE1063 NSSKSNQYVY 1073 GIGGGTGCPV1083 HKDRSCYICH1093 RQLLFCRVTL1103 GKSFLQFSAM1113 KMAHSPPGHH 1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CNQ or .CNQ2 or .CNQ3 or :3CNQ;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1048 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-aminobenzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. | PDB:4PML | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [3] |
| PDB Sequence |
KEFQSVEEEM
972 QSTVREHRDG982 GHAGGIFNRY992 NILKIQKVCN1002 KKLWERYTHR1012 RKEVSEENHN 1022 HANERMLFHG1032 SPFVNAIIHK1042 GFDERHAYIG1052 GMFGAGIYFA1062 ENSSKSNQYV 1072 YGIGGGTGCP1082 VHKDRSCYIC1092 HRQLLFCRVT1102 LGKSFLQFSA1112 MKMAHSPPGH 1122 HSVTGRPSVG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3AB or .3AB2 or .3AB3 or :33AB;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: EB-47 | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with EB47. | PDB:4TK5 | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [3] |
| PDB Sequence |
PDDKEFQSVE
969 EEMQSTVREH979 RDGGHAGGIF989 NRYNILKIQK999 VCNKKLWERY1009 THRRKEVSEE 1019 NHNHANERML1029 FHGSPFVNAI1039 IHKGFDERHA1049 YIGGMFGAGI1059 YFAENSSKSN 1069 QYVYGIGGGT1079 GCPVHKDRSC1089 YICHRQLLFC1099 RVTLGKSFLQ1109 FSAMKMAHSP 1119 PGHHSVTGRP1129 SVNGLALAEY1139 VIYRGEQAYP1149 EYLITYQIMR1159 P |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UHB or .UHB2 or .UHB3 or :3UHB;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1050 or .A:1052 or .A:1053 or .A:1058 or .A:1059 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1030
3.770
HIS1031
2.669
GLY1032
2.752
SER1033
3.279
PRO1034
4.629
PHE1035
3.457
ALA1038
3.547
ILE1039
3.545
LYS1042
4.355
GLY1043
2.678
PHE1044
3.565
ASP1045
3.022
HIS1048
3.544
ALA1049
3.480
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: NU1025 | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | PDB:4PNM | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NU1 or .NU12 or .NU13 or :3NU1;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Apigenin | Ligand Info | |||||
| Structure Description | Complex structure of human tankyrase 2 with apigenin | PDB:4HKK | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM> Chain B MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGI or .AGI2 or .AGI3 or :3AGI;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .B:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1030[A]
3.902
HIS1031[A]
3.436
GLY1032[A]
2.963
SER1033[A]
3.946
PRO1034[A]
4.709
PHE1035[A]
4.418
HIS1048[A]
4.263
ALA1049[A]
4.146
TYR1050[A]
3.672
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| Ligand Name: 2-p-tolyl-4H-chromen-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of Tankyrase 2 in complex with 4'-methylflavone | PDB:4HLK | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .431 or .4312 or .4313 or :3431;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1030[A]
3.941
HIS1031[A]
3.276
GLY1032[A]
2.931
SER1033[A]
3.892
PRO1034[A]
4.479
PHE1035[A]
4.134
HIS1048[A]
4.154
ALA1049[A]
3.951
TYR1050[A]
3.558
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| Ligand Name: 6-Chloro-2-phenyl-chromen-4-one | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 6-chloro flavone | PDB:4L2F | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1V3 or .1V32 or .1V33 or :31V3;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138 or .C:1139; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1030[A]
3.928
HIS1031[A]
3.511
GLY1032[A]
2.816
SER1033[A]
3.639
PRO1034[A]
4.203
PHE1035[A]
4.632
HIS1048[A]
4.167
ALA1049[A]
4.156
TYR1050[A]
3.507
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| Ligand Name: NSC-93394 | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 6- fluoro flavone | PDB:4L2G | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1V4 or .1V42 or .1V43 or :31V4;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1030[A]
4.046
HIS1031[A]
3.312
GLY1032[A]
2.932
SER1033[A]
3.902
PRO1034[A]
4.379
HIS1048[A]
4.048
ALA1049[A]
4.150
TYR1050[A]
3.507
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| Ligand Name: 2-(3,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone | PDB:4HLF | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .15Z or .15Z2 or .15Z3 or :315Z;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.123
HIS1031[A]
3.425
GLY1032[A]
2.855
SER1033[A]
3.428
PRO1034[A]
4.623
PHE1035[A]
3.981
HIS1048[A]
4.026
ALA1049[A]
4.223
TYR1050[A]
3.600
|
|||||
| Ligand Name: Flavone | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with flavone | PDB:4HKI | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FLN or .FLN2 or .FLN3 or :3FLN;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.851
HIS1031[A]
3.365
GLY1032[A]
2.989
SER1033[A]
3.867
PRO1034[A]
4.464
PHE1035[A]
4.823
HIS1048[A]
4.066
ALA1049[A]
4.109
TYR1050[A]
3.524
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|||||
| Ligand Name: Alpha-ketoglutaric acid | Ligand Info | |||||
| Structure Description | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER) | PDB:2Y0I | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [6] |
| PDB Sequence |
SVVEYLLQHG
549 ADVH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AKG or .AKG2 or .AKG3 or :3AKG;style chemicals stick;color identity;select .S:553; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(4-isopropoxyphenyl)-3H-quinazolin-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-[4-(propan-2-yloxy)phenyl]-3,4-dihydroquinazolin-4-one | PDB:5NUT | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9A8 or .9A82 or .9A83 or :39A8;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-Methyl-N-[4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 3-methyl-N-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide | PDB:4BUE | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JQF or .JQF2 or .JQF3 or :3JQF;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.078
HIS1031
3.480
GLY1032
2.893
SER1033
3.934
PRO1034
4.779
PHE1035
3.700
ARG1047
4.125
HIS1048
4.082
ALA1049
3.255
TYR1050
3.540
|
|||||
| Ligand Name: 5-Amino-3-Phenyl-1,2-Dihydroisoquinolin-1-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 5-amino-3- phenyl-1,2-dihydroisoquinolin-1-one | PDB:4UVZ | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 MAHSPPGHHS1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5NN or .5NN2 or .5NN3 or :35NN;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl]methanesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with (4-(4-oxo-3,4- dihydroquinazolin-2-yl)phenyl)methanesulfonamide | PDB:4BUU | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [8] |
| PDB Sequence |
SGTILIDLSP
960 DDKEFQSVEE970 EMQSTVREHR980 DGGHAGGIFN990 RYNILKIQKV1000 CNKKLWERYT 1010 HRRKEVSEEN1020 HNHANERMLF1030 HGSPFVNAII1040 HKGFDERHAY1050 IGGMFGAGIY 1060 FAENSSKSNQ1070 YVYGIGGGTG1080 CPVHKDRSCY1090 ICHRQLLFCR1100 VTLGKSFLQF 1110 SAMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F38 or .F382 or .F383 or :3F38;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.947
HIS1031
3.229
GLY1032
2.834
SER1033
3.705
PRO1034
4.235
PHE1035
3.062
ARG1047
3.872
HIS1048
3.513
ALA1049
2.052
TYR1050
3.564
|
|||||
| Ligand Name: 2-(4-methoxyphenyl)-1H-quinazolin-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4- methoxyphenyl)-3,4-dihydroquinazolin-4-one | PDB:4BU9 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .08C or .08C2 or .08C3 or :308C;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-(4-Methylphenyl)quinazolin-4(3H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-21 | PDB:4UHG | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [10] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SZ5 or .SZ52 or .SZ53 or :3SZ5;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Methyl-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-13 | PDB:4UFY | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [10] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M3W or .M3W2 or .M3W3 or :3M3W;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2r)-2-(2,4-Dichlorophenyl)-1-Methyl-2,3-Dihydropyrido[2,3-D]pyrimidin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | PDB:5AL3 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [11] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TGW or .TGW2 or .TGW3 or :3TGW;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1058 or .A:1059 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.080
HIS1031
3.441
GLY1032
2.827
SER1033
3.894
PRO1034
3.898
PHE1035
3.512
HIS1048
3.235
ALA1049
4.112
TYR1050
3.304
GLY1058
3.632
|
|||||
| Ligand Name: 2-(4-Tert-Butylphenyl)-1h,2h,3h,4h-Pyrido(2,3-D)pyrimidin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | PDB:5AL1 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [11] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GN5 or .GN52 or .GN53 or :3GN5;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.002
HIS1031
3.439
GLY1032
2.824
SER1033
3.803
PRO1034
3.828
PHE1035
3.826
ARG1047
4.180
HIS1048
3.971
ALA1049
3.725
TYR1050
3.570
|
|||||
| Ligand Name: (1s)-1-Methyl-7-(4-Methylphenyl)-5-Oxo-1,5-Dihydro-1,6-Naphthyridin-1-Ium | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | PDB:4UX4 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [12] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E9L or .E9L2 or .E9L3 or :3E9L;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Methyl-3-(Trifluoromethyl)benzo[c][1,8]naphthyridin-6(5h)-One | Ligand Info | |||||
| Structure Description | Human tankyrase 2 - catalytic PARP domain in complex with 1-methyl-3-(trifluoromethyl)-5h-benzo[c][1,8]naphtyridine-6-one | PDB:3MHJ | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [13] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M3F or .M3F2 or .M3F3 or :3M3F;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1051 or .A:1052 or .A:1053 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-Aminophenyl)-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4- aminophenyl)-3,4-dihydroquinazolin-4-one | PDB:4BU6 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RGK or .RGK2 or .RGK3 or :3RGK;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-Hydroxyphenyl)-3h-Quinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4- hydroxyphenyl)-3,4-dihydroquinazolin-4-one | PDB:4BU5 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3F4 or .3F42 or .3F43 or :33F4;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-(4-Tert-Butylphenyl)-1,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-4-one | PDB:5AKU | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [11] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMKMAHSPPG1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRPE 1161
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29F or .29F2 or .29F3 or :329F;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.116
HIS1031
3.409
GLY1032
2.875
SER1033
3.707
PRO1034
3.863
PHE1035
3.603
ARG1047
3.859
HIS1048
3.887
ALA1049
3.770
TYR1050
3.602
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-[4-(4-methyl-2-oxoimidazolidin-4-yl)phenyl]-3,4-dihydroquinazolin-4-one | PDB:5OWS | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [7] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KC8 or .KC82 or .KC83 or :3KC8;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with N-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)thiophene-2-carboxamide | PDB:4BUV | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .16I or .16I2 or .16I3 or :316I;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.127
HIS1031
3.461
GLY1032
2.785
SER1033
3.698
PRO1034
3.740
PHE1035
3.604
ARG1047
4.747
HIS1048
4.047
ALA1049
4.204
TYR1050
3.612
|
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| Ligand Name: 1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with OD336 | PDB:5NOB | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [14] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 MAHSPPGHHS1124 VTGRPLALAE1138 YVIYRGEQAY1148 PEYLITYQIM1158 RPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .92T or .92T2 or .92T3 or :392T;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1050 or .A:1053 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1074 or .A:1075; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.362
GLY1032
4.043
SER1033
3.597
PRO1034
4.127
PHE1035
3.282
ALA1038
4.047
ILE1039
3.551
GLY1043
4.233
PHE1044
3.376
ASP1045
2.880
|
|||||
| Ligand Name: 2-(4-Methylsulfanylphenyl)-3h-Quinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one | PDB:4BUA | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .91F or .91F2 or .91F3 or :391F;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[4-(2-Oxo-1,3-Oxazolidin-3-Yl)phenyl]-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one | PDB:4BUW | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F33 or .F332 or .F333 or :3F33;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.056
HIS1031
3.384
GLY1032
2.839
SER1033
3.832
PRO1034
4.733
PHE1035
3.709
ARG1047
3.246
HIS1048
3.765
ALA1049
3.319
TYR1050
3.543
|
|||||
| Ligand Name: 4-(4-Oxo-1,4-dihydroquinazolin-2-yl)benzonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-1,4- dihydroquinazolin-2-yl)benzonitrile | PDB:4BU8 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .27F or .27F2 or .27F3 or :327F;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Amino-3-(4-Methoxyphenyl)isoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- methoxyphenyl)-1,2-dihydroisoquinolin-1-one | PDB:4UVO | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5WW or .5WW2 or .5WW3 or :35WW;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{4-[(2-Chlorophenyl)(Pyrimidin-4-Yl)carbamoyl]phenyl}-4-Methoxybenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with OD332 | PDB:5AEH | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [15] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 KMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8IR or .8IR2 or .8IR3 or :38IR;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1050 or .A:1053 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1074 or .A:1075; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.492
GLY1032
3.006
SER1033
3.439
PRO1034
4.808
PHE1035
3.582
ALA1038
3.660
ILE1039
3.423
LYS1042
3.614
GLY1043
2.965
PHE1044
3.325
ASP1045
2.745
|
|||||
| Ligand Name: 4'-Isopropylflavone | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 4'-isopropylflavone | PDB:4BS4 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [5] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 MAHSPPGHHS1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A64 or .A642 or .A643 or :3A64;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.909
HIS1031
3.341
GLY1032
3.034
SER1033
3.868
PRO1034
4.100
PHE1035
3.804
ARG1047
4.054
HIS1048
3.863
ALA1049
3.664
TYR1050
3.529
|
|||||
| Ligand Name: (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | PDB:5AL2 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [11] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O53 or .O532 or .O533 or :3O53;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.072
HIS1031
3.418
GLY1032
2.800
SER1033
3.638
PRO1034
3.936
PHE1035
3.767
ARG1047
4.220
HIS1048
3.807
ALA1049
3.467
TYR1050
3.607
|
|||||
| Ligand Name: (5s)-5-Methyl-5-[4-(4-Oxidanylidene-3h-Quinazolin-2-Yl)phenyl]imidazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 5-methyl-5-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)imidazolidine-2,4-dione | PDB:4BUY | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F37 or .F372 or .F373 or :3F37;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.998
HIS1031
3.459
GLY1032
2.839
SER1033
3.655
PRO1034
3.153
PHE1035
3.636
ARG1047
3.868
HIS1048
3.788
ALA1049
3.037
TYR1050
3.633
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[4-(4-Oxidanylidene-3h-Quinazolin-2-Yl)phenoxy]ethanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid | PDB:4BUS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .32F or .32F2 or .32F3 or :332F;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(4-Chlorophenyl)-5-Methylisoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one | PDB:4UVV | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W8L or .W8L2 or .W8L3 or :3W8L;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(4-Oxidanylidene-3h-Quinazolin-2-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-3,4- dihydroquinazolin-2-yl)benzene-1-sulfonamide | PDB:4BUT | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .31F or .31F2 or .31F3 or :331F;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)- | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-(4-methylpiperazin-1-yl)- 3,4,5,6,7,8-hexahydroquinazolin-4-one | PDB:5AL4 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [11] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLH or .WLH2 or .WLH3 or :3WLH;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Bromopyrrolo[1,2-A]quinoxalin-4(5h)-One | Ligand Info | |||||
| Structure Description | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | PDB:3P0N | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [13] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 MAHSPPGHHS1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BPU or .BPU2 or .BPU3 or :3BPU;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(4-Chlorophenyl)ethyl]-6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Amine | Ligand Info | |||||
| Structure Description | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | PDB:3P0Q | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [13] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NNL or .NNL2 or .NNL3 or :3NNL;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Methyl-7-Phenyl-2,3,4,6-Tetrahydro-1,6-Naphthyridin-5(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | PDB:4W5I | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [12] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3GX or .3GX2 or .3GX3 or :33GX;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(4-Chlorophenyl)-5-Fluoroisoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one | PDB:4UVX | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H2W or .H2W2 or .H2W3 or :3H2W;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(4-Chlorophenyl)-5-Methoxyisoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | PDB:4UVY | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SGW or .SGW2 or .SGW3 or :3SGW;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[[4-(4-Oxidanylidene-3h-Quinazolin-2-Yl)phenyl]methyl]imidazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 3-((4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)methyl)imidazolidine-2,4-dione | PDB:4BUX | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F35 or .F352 or .F353 or :3F35;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.264
HIS1031
3.617
GLY1032
2.852
SER1033
3.783
PRO1034
3.387
PHE1035
3.566
HIS1048
3.862
ALA1049
3.451
TYR1050
3.468
ILE1051
3.922
|
|||||
| Ligand Name: 4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol | Ligand Info | |||||
| Structure Description | Human tankyrase 2 - catalytic Parp domain in complex with an inhibitor UPF1854 | PDB:4M7B | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [16] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AHSPPGHHSV1125 TGRPSVNGLA1135 LAEYVIYRGE1145 QAYPEYLITY1155 QIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .28C or .28C2 or .28C3 or :328C;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-amino-4-methylisoquinolin-1(2H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 5-amino-4- methyl-1,2-dihydroisoquinolin-1-one | PDB:4UVT | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G1O or .G1O2 or .G1O3 or :3G1O;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Methyl-3-[4-(Pyrrolidin-1-Ylmethyl)phenyl]isoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium | PDB:4UVU | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U1T or .U1T2 or .U1T3 or :3U1T;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methyl 4-(4-oxo-3,4-dihydroquinazolin-2-YL)benzoate | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with methyl 4-(4- oxo-3,4-dihydroquinazolin-2-yl)benzoate | PDB:4BUI | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W2E or .W2E2 or .W2E3 or :3W2E;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Amino-3-Pentylisoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one | PDB:4UVS | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [9] |
| PDB Sequence |
SGTILIDLSP
960 DDKEFQSVEE970 EMQSTVREHR980 DGGHAGGIFN990 RYNILKIQKV1000 CNKKLWERYT 1010 HRRKEVSEEN1020 HNHANERMLF1030 HGSPFVNAII1040 HKGFDERHAY1050 IGGMFGAGIY 1060 FAENSSKSNQ1070 YVYGIGGGTG1080 CPVHKDRSCY1090 ICHRQLLFCR1100 VTLGKSFLQF 1110 SAMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPEG 1162
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R4E or .R4E2 or .R4E3 or :3R4E;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-((Pyridin-4-Yl)methyl)piperazin-1-Yl)-3,4,5,6,7,8-Hexahydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl) piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one | PDB:5AL5 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [11] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JL9 or .JL92 or .JL93 or :3JL9;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.095
HIS1031
3.548
GLY1032
2.833
SER1033
3.570
PRO1034
3.908
PHE1035
3.651
ARG1047
4.806
HIS1048
4.051
ALA1049
3.600
TYR1050
3.593
|
|||||
| Ligand Name: 2-(4-Bromophenyl)-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4- bromophenyl)-3,4-dihydroquinazolin-4-one | PDB:4BU7 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .25F or .25F2 or .25F3 or :325F;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of TNKS2 in complex with 2-(4-chlorophenyl)-1,2,3,4- tetrahydroquinazolin-4-one | PDB:5AKW | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [11] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKI or .NKI2 or .NKI3 or :3NKI;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one | Ligand Info | |||||
| Structure Description | Human tankyrase 2 - catalytic PARP domain in complex with an inhibitor XAV939 | PDB:3KR8 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [17] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AHSPPGHHSV1125 TGRPSVNGLA1135 LAEYVIYRGE1145 QAYPEYLITY1155 QIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XAV or .XAV2 or .XAV3 or :3XAV;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4,5-Dimethyl-3-Phenylisoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one | PDB:4UVW | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NYJ or .NYJ2 or .NYJ3 or :3NYJ;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Methyl-2-[4-(Trifluoromethyl)phenyl]-3h-Quinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-12 | PDB:4UFU | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [10] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZI or .2ZI2 or .2ZI3 or :32ZI;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.087
HIS1031
3.417
GLY1032
2.843
SER1033
3.661
PRO1034
3.708
PHE1035
3.302
ARG1047
4.851
HIS1048
3.959
ALA1049
3.649
TYR1050
3.709
|
|||||
| Ligand Name: 2-Phenylquinazolin-4-ol | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-phenyl-3,4- dihydroquinazolin-4-one | PDB:4BU3 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F40 or .F402 or .F403 or :3F40;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: IWR-1-endo | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with a selective inhibitor | PDB:3UA9 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [1] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AAHSPPGHHS1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IWR or .IWR2 or .IWR3 or :3IWR;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1050 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1075; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.492
GLY1032
3.616
SER1033
3.671
PRO1034
4.946
PHE1035
3.545
ALA1038
3.608
ILE1039
3.848
LYS1042
4.393
GLY1043
3.126
PHE1044
3.533
|
|||||
| Ligand Name: 5-Amino-3-(4-Chlorophenyl)isoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one | PDB:4UVN | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [9] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CDJ or .CDJ2 or .CDJ3 or :3CDJ;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[3-[[4-(4-Methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]benzo[de]isoquinoline-1,3-dione | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with WIKI4 | PDB:4BFP | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [18] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SWY or .SWY2 or .SWY3 or :3SWY;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1046 or .A:1048 or .A:1049 or .A:1051 or .A:1052 or .A:1053 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1074 or .A:1075; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.672
GLY1032
4.156
SER1033
3.664
PRO1034
3.662
PHE1035
3.163
ALA1038
3.394
ILE1039
3.809
LYS1042
3.957
GLY1043
3.106
PHE1044
3.529
ASP1045
2.717
GLU1046
4.898
|
|||||
| Ligand Name: 6(5H)-Phenanthridinone | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 6(5H)- phenanthridinone | PDB:4AVU | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LDR or .LDR2 or .LDR3 or :3LDR;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1048 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor | PDB:3P0P | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [13] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AHSPPGHHSV1125 TGRPSVNGLA1135 LAEYVIYRGE1145 QAYPEYLITY1155 QIMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NNF or .NNF2 or .NNF3 or :3NNF;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-Acetylphenyl)-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 2-(4- acetylphenyl)-3,4-dihydroquinazolin-4-one | PDB:4BUF | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [8] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F36 or .F362 or .F363 or :3F36;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[3-(8-Methyl-4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-92 | PDB:5FPG | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [19] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFA 1116 HSPPGHHSVT1126 GRPSVNGLAL1136 AEYVIYRGEQ1146 AYPEYLITYQ1156 IMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q28 or .Q282 or .Q283 or :3Q28;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1046 or .A:1048 or .A:1049 or .A:1050 or .A:1053 or .A:1054 or .A:1058 or .A:1059 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1137 or .A:1138 or .A:1139; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.151
HIS1031
2.320
GLY1032
1.946
SER1033
2.745
PRO1034
3.974
PHE1035
2.356
ALA1038
3.200
ILE1039
2.534
LYS1042
2.719
GLY1043
2.319
PHE1044
2.659
ASP1045
2.554
GLU1046
4.715
HIS1048
2.861
ALA1049
3.389
|
|||||
| Ligand Name: 4-{5-[(E)-2-{4-(2-Chlorophenyl)-5-[5-(Methylsulfonyl)pyridin-2-Yl]-4h-1,2,4-Triazol-3-Yl}ethenyl]-1,3,4-Oxadiazol-2-Yl}benzonitrile | Ligand Info | |||||
| Structure Description | Structural basis and SAR for OD 270, a lead stage 1,2,4-triazole based specific Tankyrase1/2 inhibitor | PDB:4HYF | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [20] |
| PDB Sequence |
GTENLYFQSM
945 LNTSGSGTIL955 IDLSPDDKEF965 QSVEEEMQST975 VREHRDGGHA985 GGIFNRYNIL 995 KIQKVCNKKL1005 WERYTHRRKE1015 VSEENHNHAN1025 ERMLFHGSPF1035 VNAIIHKGFD 1045 ERHAYIGGMF1055 GAGIYFAENS1065 SKSNQYVYGI1075 GGGTGCPVHK1085 DRSCYICHRQ 1095 LLFCRVTLGK1105 SFLQFSAMKM1115 AHSPPGHHSV1125 TGRPSVNGLA1135 LAEYVIYRGE 1145 QAYPEYLITY1155 QIMRPEG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1AK or .1AK2 or .1AK3 or :31AK;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1050 or .A:1052 or .A:1053 or .A:1054 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.301
GLY1032
3.769
SER1033
3.583
PRO1034
4.210
PHE1035
3.240
ALA1038
3.695
ILE1039
3.784
GLY1043
4.181
PHE1044
3.795
ASP1045
3.097
HIS1048
3.289
|
|||||
| Ligand Name: Morpholin-4-Yl[4-(Tetrazolo[1,5-A]quinoxalin-4-Ylamino)phenyl]methanone | Ligand Info | |||||
| Structure Description | Tankyrase 2 complexed with a selective inhibitor | PDB:5DCZ | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [21] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFA 1116 HSPPGHHSVT1126 GRPNGLALAE1138 YVIYRGEQAY1148 PEYLITYQIM1158 RPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .59B or .59B2 or .59B3 or :359B;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.428
HIS1031
3.489
GLY1032
3.014
SER1033
3.525
PRO1034
4.117
PHE1035
3.810
ARG1047
3.047
HIS1048
3.494
ALA1049
3.299
TYR1050
3.722
|
|||||
| Ligand Name: 5-Hydroxyisoquinolin-1(4h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with 1,5-IQD. | PDB:4PNT | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [3] |
| PDB Sequence |
DDKEFQSVEE
970 EMQSTVREHR980 DGGHAGGIFN990 RYNILKIQKV1000 CNKKLWERYT1010 HRRKEVSEEN 1020 HNHANERMLF1030 HGSPFVNAII1040 HKGFDERHAI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQD or .IQD2 or .IQD3 or :3IQD;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with DPQ. | PDB:4TK0 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .32Z or .32Z2 or .32Z3 or :332Z;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1048 or .A:1049 or .A:1050 or .A:1052 or .A:1053 or .A:1054 or .A:1056 or .A:1058 or .A:1059 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1137 or .A:1138 or .A:1139; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE1030
3.884
HIS1031
3.111
GLY1032
1.956
SER1033
4.166
HIS1048
3.981
ALA1049
4.342
TYR1050
4.531
GLY1052
4.334
GLY1053
2.980
MET1054
3.741
GLY1056
4.484
GLY1058
3.532
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|||||
| Ligand Name: 4-Hydroxyquinazoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with 4HQN. | PDB:4PNN | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
KEFQSVEEEM
972 QSTVREHRDG982 GHAGGIFNRY992 NILKIQKVCN1002 KKLWERYTHR1012 RKEVSEENHN 1022 HANERMLFHG1032 SPFVNAIIHK1042 GFDERHAYIG1052 GMFGAGIYFA1062 ENSSKSNQYV 1072 YGIGGGTGCP1082 VHKDRSCYIC1092 HRQLLFCRVT1102 LGKSFLQFSA1112 MKMAHSPPGH 1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JPZ or .JPZ2 or .JPZ3 or :3JPZ;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-Iodo-6-amino-1,2-benzopyrone | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with INH2BP. | PDB:4PNS | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAGG1053 MFGAGIYFAE1063 NSSKSNQYVY 1073 GIGGGTGCPV1083 HKDRSCYICH1093 RQLLFCRVTL1103 GKSFLQFSAM1113 KMAHSPPGHH 1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .32Y or .32Y2 or .32Y3 or :332Y;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1053 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4H-Thieno[2,3-c]isoquinolin-5-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with TIQ-A. | PDB:4PNR | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRPE1161 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G18 or .G182 or .G183 or :3G18;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1137 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Aminoisoquinolin-1(4h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | PDB:4PNQ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [3] |
| PDB Sequence |
PDDKEFQSVE
969 EEMQSTVREH979 RDGGHAGGIF989 NRYNILKIQK999 VCNKKLWERY1009 THRRKEVSEE 1019 NHNHANERML1029 FHGSPFVNAI1039 IHKGFDERHA1049 YIGGMFGAGI1059 YFAENSSKSN 1069 QYVYGIGGGT1079 GCPVHKDRSC1089 YICHRQLLFC1099 RVTLGKSFLQ1109 FSAMKMAHSP 1119 PGHHSVTGRP1129 SVNGLALAEY1139 VIYRGEQAYP1149 EYLITYQIMR1159 PE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .32X or .32X2 or .32X3 or :332X;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[(2s)-2-Methylpyrrolidin-2-Yl]-1h-Benzimidazole-7-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with ABT-888. | PDB:4TJY | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3GN or .3GN2 or .3GN3 or :33GN;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1053 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(3ar,4r,7s,7as)-1,3-Dioxooctahydro-2h-4,7-Methanoisoindol-2-Yl]-N-(Quinolin-8-Yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human Tankyrase 2 in complex with IWR-1. | PDB:4TKF | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [3] |
| PDB Sequence |
DKEFQSVEEE
971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH1011 RRKEVSEENH 1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF1061 AENSSKSNQY 1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS1111 AMKMAHSPPG 1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .33C or .33C2 or .33C3 or :333C;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1046 or .A:1048 or .A:1049 or .A:1050 or .A:1054 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1075; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS1031
3.337
GLY1032
3.715
SER1033
3.387
PHE1035
3.389
ALA1038
3.570
ILE1039
3.555
LYS1042
4.273
GLY1043
3.129
PHE1044
3.387
ASP1045
2.729
|
|||||
| Ligand Name: 2-Pyridin-2-Yl-7,8-Dihydro-5h-Thiopyrano[4,3-D]pyrimidin-4-Ol | Ligand Info | |||||
| Structure Description | Human tankyrase 2 - catalytic PARP domain in complex with 2-(2-pyridyl)-7,8-dihydro-5h-thiino[4,3-d]pyrimidin-4-ol | PDB:3MHK | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [13] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMKMAHSPPG1121 HHSVTGRPSV1131 NGLALAEYVI1141 YRGEQAYPEY1151 LITYQIMRPE 1161
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P4L or .P4L2 or .P4L3 or :3P4L;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Chloro-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)benzoic Acid | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid | PDB:4J3M | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [22] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMAHSPPGHH1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJ8 or .AJ82 or .AJ83 or :3AJ8;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.924
HIS1031
3.262
GLY1032
2.744
SER1033
4.036
PRO1034
3.554
PHE1035
3.451
ARG1047
4.921
HIS1048
4.105
ALA1049
3.868
TYR1050
3.525
|
|||||
| Ligand Name: 7-(4-Amino-2-Chlorophenyl)-4-Methylquinolin-2(1h)-One | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one | PDB:4J21 | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [22] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJ6 or .AJ62 or .AJ63 or :3AJ6;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.997
HIS1031
3.419
GLY1032
2.823
SER1033
4.175
PRO1034
3.657
PHE1035
3.841
ARG1047
4.457
HIS1048
3.708
ALA1049
3.345
TYR1050
3.478
|
|||||
| Ligand Name: 4-chlorophthalazin-1(2H)-one | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one | PDB:4J1Z | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [22] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .495 or .4952 or .4953 or :3495;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Methylquinolin-2-ol | Ligand Info | |||||
| Structure Description | Tankyrase in complex with 2-hydroxy-4-methylquinoline | PDB:3W51 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [22] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJ2 or .AJ22 or .AJ23 or :3AJ2;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Chloro-N-(2-Methoxyethyl)-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)benzamide | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide | PDB:4J3L | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [22] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJ5 or .AJ52 or .AJ53 or :3AJ5;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.943
HIS1031
3.431
GLY1032
2.742
SER1033
4.128
PRO1034
3.514
PHE1035
3.604
ARG1047
4.481
HIS1048
4.047
ALA1049
3.554
TYR1050
3.488
|
|||||
| Ligand Name: 3-Chloro-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide | PDB:4J22 | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [22] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJ7 or .AJ72 or .AJ73 or :3AJ7;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
4.069
HIS1031
3.386
GLY1032
2.694
SER1033
4.068
PRO1034
3.585
PHE1035
3.393
ARG1047
4.555
HIS1048
3.919
ALA1049
3.446
TYR1050
3.433
|
|||||
| Ligand Name: 7-(2-Fluorophenyl)-4-Methylquinolin-2(1h)-One | Ligand Info | |||||
| Structure Description | Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one | PDB:4IUE | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [22] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AMMAHSPPGH1122 HSVTGRPSVN1132 GLALAEYVIY1142 RGEQAYPEYL1152 ITYQIMRPE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJ4 or .AJ42 or .AJ43 or :3AJ4;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .A:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030
3.832
HIS1031
3.357
GLY1032
2.702
SER1033
3.946
PRO1034
3.473
PHE1035
3.627
ARG1047
4.629
HIS1048
3.679
ALA1049
3.347
TYR1050
3.427
|
|||||
| Ligand Name: (7r)-2-Hydroxy-7-(Propan-2-Yl)-7,8-Dihydro-5h-Pyrano[4,3-B]pyridine-3-Carbonitrile | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | PDB:5C5R | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [23] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C KMAHSPPGHH 1123 SVTGRPSVNG1133 LALAEYVIYR1143 GEQAYPEYLI1153 TYQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0E1 or .0E12 or .0E13 or :30E1;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.119
HIS1031[A]
3.377
GLY1032[A]
2.659
SER1033[A]
3.800
PRO1034[A]
3.804
PHE1035[A]
4.114
HIS1048[A]
4.135
ALA1049[A]
3.664
TYR1050[A]
3.352
|
|||||
| Ligand Name: 8-Methoxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-41 | PDB:4UI5 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [10] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BJ4 or .BJ42 or .BJ43 or :3BJ4;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.041
HIS1031[A]
3.416
GLY1032[A]
2.879
SER1033[A]
3.727
PRO1034[A]
4.160
PHE1035[A]
3.974
HIS1048[A]
4.164
ALA1049[A]
4.043
TYR1050[A]
3.439
|
|||||
| Ligand Name: 4'-Chloroflavone | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 4'-chloro flavone | PDB:4L0V | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1V1 or .1V12 or .1V13 or :31V1;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.957
HIS1031[A]
3.364
GLY1032[A]
2.927
SER1033[A]
3.845
PRO1034[A]
4.266
PHE1035[A]
3.692
HIS1048[A]
4.140
ALA1049[A]
4.050
TYR1050[A]
3.528
|
|||||
| Ligand Name: 4'-Methoxyflavone | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 4'-methoxy flavone | PDB:4L10 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A63 or .A632 or .A633 or :3A63;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.012
HIS1031[A]
3.424
GLY1032[A]
2.982
SER1033[A]
3.900
PRO1034[A]
4.653
PHE1035[A]
3.552
ARG1047[A]
4.311
HIS1048[A]
3.812
ALA1049[A]
3.196
|
|||||
| Ligand Name: (3r)-3-(1-Hydroxy-2-Methylpropan-2-Yl)-1,3,4,5-Tetrahydro-6h-Pyrano[4,3-C]isoquinolin-6-One | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | PDB:5C5P | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [23] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM> Chain C AHSPPGHHSV 1125 TGRPSVNGLA1135 LAEYVIYRGE1145 QAYPEYLITY1155 QIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0E0 or .0E02 or .0E03 or :30E0;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.074
HIS1031[A]
3.376
GLY1032[A]
2.693
SER1033[A]
3.845
PRO1034[A]
3.718
PHE1035[A]
4.095
ARG1047[A]
4.997
HIS1048[A]
3.346
ALA1049[A]
3.974
|
|||||
| Ligand Name: 4'-Fluoroflavone | Ligand Info | |||||
| Structure Description | Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone | PDB:4HLH | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20D or .20D2 or .20D3 or :320D;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.034
HIS1031[A]
3.399
GLY1032[A]
3.013
SER1033[A]
3.863
PRO1034[A]
4.457
PHE1035[A]
3.814
HIS1048[A]
4.050
ALA1049[A]
3.959
TYR1050[A]
3.559
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Amino-3-Ethylisoquinolin-1(2h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 5-amino-3- ethyl-1,2-dihydroisoquinolin-1-one | PDB:4UVP | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [9] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM> Chain B MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NGJ or .NGJ2 or .NGJ3 or :3NGJ;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .B:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[4-(1h-Tetrazol-5-Yl)phenyl]-4h-Chromen-4-One | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 4'-tetrazole flavone | PDB:4L34 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1VG or .1VG2 or .1VG3 or :31VG;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.955
HIS1031[A]
3.359
GLY1032[A]
2.925
SER1033[A]
3.861
PRO1034[A]
4.010
PHE1035[A]
3.930
HIS1048[A]
4.833
ALA1049[A]
3.825
TYR1050[A]
3.631
|
|||||
| Ligand Name: 2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 4'-dimethylamino flavone | PDB:4L0B | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1UT or .1UT2 or .1UT3 or :31UT;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.919
HIS1031[A]
3.293
GLY1032[A]
2.920
SER1033[A]
3.837
PRO1034[A]
4.818
PHE1035[A]
3.687
ARG1047[A]
4.031
HIS1048[A]
3.918
ALA1049[A]
3.631
|
|||||
| Ligand Name: 8-Hydroxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-49 | PDB:4UI7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [10] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VT3 or .VT32 or .VT33 or :3VT3;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.075
HIS1031[A]
3.433
GLY1032[A]
2.894
SER1033[A]
3.695
PRO1034[A]
4.091
PHE1035[A]
3.974
HIS1048[A]
4.217
ALA1049[A]
4.330
TYR1050[A]
3.419
|
|||||
| Ligand Name: 8-Methoxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-47 | PDB:4UI6 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [10] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ECZ or .ECZ2 or .ECZ3 or :3ECZ;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.026
HIS1031[A]
3.443
GLY1032[A]
2.898
SER1033[A]
3.729
PRO1034[A]
3.603
PHE1035[A]
3.319
ARG1047[A]
4.342
HIS1048[A]
3.786
ALA1049[A]
3.573
TYR1050[A]
3.446
|
|||||
| Ligand Name: N-[3-Chloranyl-4-[[4-(4-Methoxyphenyl)oxan-4-Yl]methylcarbamoyl]phenyl]furan-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with OD39 | PDB:5ADS | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [15] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QNS or .QNS2 or .QNS3 or :3QNS;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1051 or .A:1052 or .A:1053 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1074 or .A:1075; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.344
GLY1032
4.668
SER1033
4.142
PRO1034
3.221
PHE1035
3.447
ALA1038
3.723
ILE1039
3.695
LYS1042
4.314
GLY1043
3.281
PHE1044
3.350
ASP1045
2.882
|
|||||
| Ligand Name: 2-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-4h-Chromen-4-One | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one | PDB:4L32 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1VF or .1VF2 or .1VF3 or :31VF;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.943
HIS1031[A]
3.334
GLY1032[A]
2.949
SER1033[A]
3.947
PRO1034[A]
3.972
PHE1035[A]
3.706
ARG1047[A]
3.167
HIS1048[A]
3.640
ALA1049[A]
3.515
TYR1050[A]
3.635
|
|||||
| Ligand Name: 4-(4-Oxo-4h-Chromen-2-Yl)benzonitrile | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 4'-cyano flavone | PDB:4L0S | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1UZ or .1UZ2 or .1UZ3 or :31UZ;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.952
HIS1031[A]
3.372
GLY1032[A]
2.987
SER1033[A]
3.833
PRO1034[A]
4.387
PHE1035[A]
3.678
HIS1048[A]
4.295
ALA1049[A]
4.006
TYR1050[A]
3.582
|
|||||
| Ligand Name: 3',4'-Dihydroxyflavone | Ligand Info | |||||
| Structure Description | Crystal structure of Tankyrase 2 in complex with 3',4'-Dihydroxyflavone | PDB:4HLM | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .16S or .16S2 or .16S3 or :316S;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.059
HIS1031[A]
3.379
GLY1032[A]
2.988
SER1033[A]
3.694
PRO1034[A]
4.894
PHE1035[A]
3.919
HIS1048[A]
4.069
ALA1049[A]
4.246
TYR1050[A]
3.687
|
|||||
| Ligand Name: (3r)-10-Methyl-3-(Propan-2-Yl)-1,3,4,5-Tetrahydro-6h-Pyrano[4,3-C]isoquinolin-6-One | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | PDB:5C5Q | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [23] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C AHSPPGHHSV 1125 TGRPSVNGLA1135 LAEYVIYRGE1145 QAYPEYLITY1155 QIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G9W or .G9W2 or .G9W3 or :3G9W;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.948
HIS1031[A]
3.320
GLY1032[A]
2.720
SER1033[A]
3.875
PRO1034[A]
3.900
PHE1035[A]
4.013
HIS1048[A]
3.987
ALA1049[A]
3.509
TYR1050[A]
3.430
|
|||||
| Ligand Name: 2-[4-(Trifluoromethyl)phenyl]-3h-Quinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-26 | PDB:4UI3 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [10] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .06R or .06R2 or .06R3 or :306R;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.986
HIS1031[A]
3.425
GLY1032[A]
2.836
SER1033[A]
3.811
PRO1034[A]
3.641
PHE1035[A]
3.329
ARG1047[A]
4.315
HIS1048[A]
3.914
ALA1049[A]
3.681
TYR1050[A]
3.597
|
|||||
| Ligand Name: 3'-Hydroxyflavone | Ligand Info | |||||
| Structure Description | Crystal structure of Tankyrase 2 in complex with 3'-hydroxyflavone | PDB:4HLG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .20B or .20B2 or .20B3 or :320B;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.962
HIS1031[A]
3.243
GLY1032[A]
2.797
SER1033[A]
3.637
PRO1034[A]
4.878
PHE1035[A]
3.727
ARG1047[A]
4.965
HIS1048[A]
3.834
ALA1049[A]
3.845
|
|||||
| Ligand Name: Methyl 4-(4-Oxo-4h-Chromen-2-Yl)benzoate | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate | PDB:4L31 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F08 or .F082 or .F083 or :3F08;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.838
HIS1031[A]
3.400
GLY1032[A]
2.986
SER1033[A]
3.973
PRO1034[A]
4.457
PHE1035[A]
3.462
ARG1047[A]
4.247
HIS1048[A]
3.993
ALA1049[A]
3.443
TYR1050[A]
3.391
|
|||||
| Ligand Name: 4-(4-Oxo-4h-Chromen-2-Yl)benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-4H-chromen-2-yl)benzoic acid | PDB:4L09 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1UR or .1UR2 or .1UR3 or :31UR;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.879
HIS1031[A]
3.361
GLY1032[A]
2.969
SER1033[A]
4.107
PRO1034[A]
4.734
PHE1035[A]
3.379
HIS1048[A]
4.584
ALA1049[A]
3.797
TYR1050[A]
3.636
|
|||||
| Ligand Name: 8-Hydroxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-55 | PDB:4UI8 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [10] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IY5 or .IY52 or .IY53 or :3IY5;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.046
HIS1031[A]
3.389
GLY1032[A]
2.796
SER1033[A]
3.716
PRO1034[A]
3.389
PHE1035[A]
3.349
ARG1047[A]
4.441
HIS1048[A]
3.892
ALA1049[A]
3.630
TYR1050[A]
3.358
|
|||||
| Ligand Name: 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one | PDB:4L2K | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1V8 or .1V82 or .1V83 or :31V8;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.923
HIS1031[A]
3.370
GLY1032[A]
2.803
SER1033[A]
3.255
PRO1034[A]
3.730
PHE1035[A]
3.705
HIS1048[A]
4.777
ALA1049[A]
4.124
TYR1050[A]
3.579
|
|||||
| Ligand Name: 2-(4-Nitrophenyl)-4H-chromen-4-one | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with 4'-nitro flavone | PDB:4L0T | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1V0 or .1V02 or .1V03 or :31V0;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.930
HIS1031[A]
3.324
GLY1032[A]
2.917
SER1033[A]
3.925
PRO1034[A]
4.213
PHE1035[A]
3.633
HIS1048[A]
4.294
ALA1049[A]
2.951
TYR1050[A]
3.588
|
|||||
| Ligand Name: 4'-Bromoflavone | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 4' -bromo flavone | PDB:4KZU | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A73 or .A732 or .A733 or :3A73;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.922
HIS1031[A]
3.375
GLY1032[A]
2.983
SER1033[A]
3.713
PRO1034[A]
4.248
PHE1035[A]
3.824
HIS1048[A]
4.225
ALA1049[A]
4.184
TYR1050[A]
3.579
|
|||||
| Ligand Name: cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Ligand Info | |||||
| Structure Description | Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | PDB:4L33 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F70 or .F702 or .F703 or :3F70;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1052 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.928
HIS1031[A]
3.370
GLY1032[A]
2.937
SER1033[A]
3.898
PRO1034[A]
4.337
PHE1035[A]
3.279
HIS1048[A]
4.422
ALA1049[A]
3.188
TYR1050[A]
3.624
ILE1051[A]
2.933
|
|||||
| Ligand Name: N-(4-(((4-(4-Methoxyphenyl)oxan-4-Yl)methyl)carbamoyl)phenyl)-5-Methylfuran-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with OD38 | PDB:5ADR | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QS5 or .QS52 or .QS53 or :3QS5;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1046 or .A:1048 or .A:1049 or .A:1051 or .A:1052 or .A:1053 or .A:1056 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1074 or .A:1075; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.392
GLY1032
4.834
SER1033
4.161
PRO1034
3.090
PHE1035
3.307
ALA1038
3.604
ILE1039
3.658
LYS1042
4.278
GLY1043
3.513
PHE1044
3.523
ASP1045
2.920
GLU1046
4.992
|
|||||
| Ligand Name: N-(4-(((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)carbamoyl)phenyl)furan-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with JW55 | PDB:5ADQ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A95 or .A952 or .A953 or :3A95;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1051 or .A:1052 or .A:1053 or .A:1054 or .A:1056 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1074 or .A:1075; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.314
GLY1032
4.972
SER1033
4.245
PRO1034
3.141
PHE1035
3.473
ALA1038
3.781
ILE1039
3.557
LYS1042
4.378
GLY1043
3.284
PHE1044
3.485
ASP1045
2.979
HIS1048
3.456
|
|||||
| Ligand Name: N-[3-Chloranyl-4-[[4-(4-Methoxyphenyl)oxan-4-Yl]methylcarbamoyl]phenyl]-2-Methyl-1,3-Oxazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with OD73 | PDB:5ADT | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [15] |
| PDB Sequence |
GTILIDLSPD
961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 AM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1TC or .1TC2 or .1TC3 or :31TC;style chemicals stick;color identity;select .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1046 or .A:1048 or .A:1049 or .A:1051 or .A:1052 or .A:1053 or .A:1058 or .A:1059 or .A:1060 or .A:1071 or .A:1074 or .A:1075; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS1031
3.383
GLY1032
4.754
SER1033
4.346
PRO1034
3.255
PHE1035
3.677
ALA1038
3.602
ILE1039
3.928
LYS1042
4.461
GLY1043
3.225
PHE1044
3.366
ASP1045
2.684
GLU1046
4.936
|
|||||
| Ligand Name: Pratol | Ligand Info | |||||
| Structure Description | Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone | PDB:4HL5 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .15W or .15W2 or .15W3 or :315W;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.120
HIS1031[A]
3.360
GLY1032[A]
2.954
SER1033[A]
3.981
PRO1034[A]
4.778
PHE1035[A]
3.252
ARG1047[A]
4.019
HIS1048[A]
3.979
ALA1049[A]
3.947
|
|||||
| Ligand Name: 2-(4-Hydroxy-phenyl)-chroman-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavone | PDB:4KZQ | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DFL or .DFL2 or .DFL3 or :3DFL;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.836
HIS1031[A]
3.441
GLY1032[A]
2.918
SER1033[A]
3.832
PRO1034[A]
4.580
PHE1035[A]
4.530
HIS1048[A]
4.650
ALA1049[A]
4.205
TYR1050[A]
3.668
|
|||||
| Ligand Name: 7,3'-Dihydroxyflavone | Ligand Info | |||||
| Structure Description | Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone | PDB:4HMH | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F94 or .F942 or .F943 or :3F94;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1047 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.160
HIS1031[A]
3.324
GLY1032[A]
2.900
SER1033[A]
3.584
PRO1034[A]
4.875
PHE1035[A]
3.692
ARG1047[A]
4.762
HIS1048[A]
3.622
ALA1049[A]
4.042
|
|||||
| Ligand Name: ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Ligand Info | |||||
| Structure Description | Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | PDB:4L0I | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1UW or .1UW2 or .1UW3 or :31UW;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1051 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1074 or .A:1075 or .C:1138; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
3.848
HIS1031[A]
3.365
GLY1032[A]
2.953
SER1033[A]
3.954
PRO1034[A]
4.161
PHE1035[A]
3.468
HIS1048[A]
4.309
ALA1049[A]
2.842
TYR1050[A]
3.514
ILE1051[A]
4.866
|
|||||
| Ligand Name: Benzyl N-{[4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl]methyl}carbamate | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-29 | PDB:4UI4 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [10] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQFS 1111 A> Chain C MAHSPPGHHS 1124 VTGRPSVNGL1134 ALAEYVIYRG1144 EQAYPEYLIT1154 YQIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RJN or .RJN2 or .RJN3 or :3RJN;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1048 or .A:1049 or .A:1050 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1073 or .A:1074 or .A:1075 or .C:1138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.045
HIS1031[A]
3.425
GLY1032[A]
2.762
SER1033[A]
3.640
PRO1034[A]
4.016
PHE1035[A]
3.777
HIS1048[A]
4.351
ALA1049[A]
3.950
TYR1050[A]
3.542
TYR1060[A]
3.291
|
|||||
| Ligand Name: 4-[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanamido]-N-(Quinolin-8-Yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human tankyrase 2 in complex with TA-91 | PDB:5FPF | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [24] |
| PDB Sequence |
> Chain A
GTILIDLSPD 961 DKEFQSVEEE971 MQSTVREHRD981 GGHAGGIFNR991 YNILKIQKVC1001 NKKLWERYTH 1011 RRKEVSEENH1021 NHANERMLFH1031 GSPFVNAIIH1041 KGFDERHAYI1051 GGMFGAGIYF 1061 AENSSKSNQY1071 VYGIGGGTGC1081 PVHKDRSCYI1091 CHRQLLFCRV1101 TLGKSFLQF > Chain C AHSPPGHHSV 1125 TGRPSVNGLA1135 LAEYVIYRGE1145 QAYPEYLITY1155 QIMRPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5ZI or .5ZI2 or .5ZI3 or :35ZI;style chemicals stick;color identity;select .A:1030 or .A:1031 or .A:1032 or .A:1033 or .A:1034 or .A:1035 or .A:1038 or .A:1039 or .A:1042 or .A:1043 or .A:1044 or .A:1045 or .A:1048 or .A:1049 or .A:1050 or .A:1058 or .A:1059 or .A:1060 or .A:1061 or .A:1062 or .A:1067 or .A:1068 or .A:1071 or .A:1075 or .C:1137 or .C:1138 or .C:1139; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE1030[A]
4.156
HIS1031[A]
2.349
GLY1032[A]
2.116
SER1033[A]
3.097
PRO1034[A]
4.943
PHE1035[A]
2.494
ALA1038[A]
2.647
ILE1039[A]
2.779
LYS1042[A]
2.726
GLY1043[A]
2.519
PHE1044[A]
2.129
ASP1045[A]
2.178
HIS1048[A]
3.063
ALA1049[A]
4.428
|
|||||
| Ligand Name: 4,4'-Propane-1,3-Diylbis(1-Methyl-1h-1,2,3-Triazole) | Ligand Info | |||||
| Structure Description | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3 | PDB:5BXO | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | No | [25] |
| PDB Sequence |
> Chain A
SGNSEADRQL 496 LEAAKAGDVE506 TVKKLCTVQS516 VNCRDIEGRQ526 STPLHFAAGY536 NRVSVVEYLL 546 QHGADVHAKD556 KGGLVPLHNA566 CSYGHYEVAE576 LLVKHGAVVN586 VADLWKFTPL 596 HEAAAKGKYE606 ICKLLLQHGA616 DPTKKNRDGN626 TPLDLVKDGD636 TDIQDLLRGD 646 > Chain C REAGDGAE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4XP or .4XP2 or .4XP3 or :34XP;style chemicals stick;color identity;select .A:569 or .C:2 or .C:3 or .C:4 or .C:6 or .C:7 or .C:8; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4,4'-Pentane-1,5-Diylbis(1-Propyl-1h-1,2,3-Triazole) | Ligand Info | |||||
| Structure Description | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5 | PDB:5BXU | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [25] |
| PDB Sequence |
GSGNSEADRQ
495 LLEAAKAGDV505 ETVKKLCTVQ515 SVNCRDIEGR525 QSTPLHFAAG535 YNRVSVVEYL 545 LQHGADVHAK555 DKGGLVPLHN565 ACSYGHYEVA575 ELLVKHGAVV585 NVADLWKFTP 595 LHEAAAKGKY605 EICKLLLQHG615 ADPTKKNRDG625 NTPLDLVKDG635 DTDIQDLLRG 645 DAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4XQ or .4XQ2 or .4XQ3 or :34XQ;style chemicals stick;color identity;select .A:536 or .A:569; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Isoglutamine | Ligand Info | |||||
| Structure Description | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5 | PDB:5BXU | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [25] |
| PDB Sequence |
GSGNSEADRQ
495 LLEAAKAGDV505 ETVKKLCTVQ515 SVNCRDIEGR525 QSTPLHFAAG535 YNRVSVVEYL 545 LQHGADVHAK555 DKGGLVPLHN565 ACSYGHYEVA575 ELLVKHGAVV585 NVADLWKFTP 595 LHEAAAKGKY605 EICKLLLQHG615 ADPTKKNRDG625 NTPLDLVKDG635 DTDIQDLLRG 645 DAA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GMA or .GMA2 or .GMA3 or :3GMA;style chemicals stick;color identity;select .A:568 or .A:569 or .A:571 or .A:602 or .A:604; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid | Ligand Info | |||||
| Structure Description | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-methyl-2-oxoglutarate, AND TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER) | PDB:7A1S | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [26] |
| PDB Sequence |
LEVAEYLLQH
701 GADVNAQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ROQ or .ROQ2 or .ROQ3 or :3ROQ;style chemicals stick;color identity;select .B:706; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of selective inhibition of human tankyrases. J Med Chem. 2012 Feb 9;55(3):1360-7. | ||||
| REF 2 | Evaluation and Structural Basis for the Inhibition of Tankyrases by PARP Inhibitors. ACS Med Chem Lett. 2013 Nov 20;5(1):18-22. | ||||
| REF 3 | 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. | ||||
| REF 4 | Screening and structural analysis of flavones inhibiting tankyrases. J Med Chem. 2013 May 9;56(9):3507-17. | ||||
| REF 5 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J Med Chem. 2013 Oct 24;56(20):7880-9. | ||||
| REF 6 | Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains. FEBS J. 2011 Apr;278(7):1086-97. | ||||
| REF 7 | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep. 2018 Jan 26;8(1):1680. | ||||
| REF 8 | para-Substituted 2-phenyl-3,4-dihydroquinazolin-4-ones as potent and selective tankyrase inhibitors. ChemMedChem. 2013 Dec;8(12):1978-85. | ||||
| REF 9 | Exploration of the nicotinamide-binding site of the tankyrases, identifying 3-arylisoquinolin-1-ones as potent and selective inhibitors in vitro. Bioorg Med Chem. 2015 Sep 1;23(17):5891-908. | ||||
| REF 10 | Structure-activity relationships of 2-arylquinazolin-4-ones as highly selective and potent inhibitors of the tankyrases. Eur J Med Chem. 2016 Aug 8;118:316-27. | ||||
| REF 11 | Discovery of potent and selective nonplanar tankyrase inhibiting nicotinamide mimics. Bioorg Med Chem. 2015 Aug 1;23(15):4139-4149. | ||||
| REF 12 | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg Med Chem. 2015 Jul 1;23(13):3013-32. | ||||
| REF 13 | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat Biotechnol. 2012 Feb 19;30(3):283-8. | ||||
| REF 14 | Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach. J Med Chem. 2017 Dec 28;60(24):10013-10025. | ||||
| REF 15 | Development and structural analysis of adenosine site binding tankyrase inhibitors. Bioorg Med Chem Lett. 2016 Jan 15;26(2):328-333. | ||||
| REF 16 | Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors. J Med Chem. 2014 Mar 27;57(6):2807-12. | ||||
| REF 17 | Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor. J Med Chem. 2010 Jul 22;53(14):5352-5. | ||||
| REF 18 | Structural basis and selectivity of tankyrase inhibition by a Wnt signaling inhibitor WIKI4. PLoS One. 2013 Jun 6;8(6):e65404. | ||||
| REF 19 | Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling. | ||||
| REF 20 | Structural basis and SAR for G007-LK, a lead stage 1,2,4-triazole based specific tankyrase 1/2 inhibitor. J Med Chem. 2013 Apr 11;56(7):3012-23. | ||||
| REF 21 | Discovery of a new tool compound with superior selectivity to interrogate the biology of Tankyrase | ||||
| REF 22 | Fragment-based ligand design of novel potent inhibitors of tankyrases. J Med Chem. 2013 Jun 13;56(11):4497-508. | ||||
| REF 23 | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. ACS Med Chem Lett. 2015 Aug 4;6(9):1019-24. | ||||
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