POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)
4 / 5GLU A 425
ARG A 534
ASP A 465
THR A 538
ZN  A1752 (-2.5A)
None
None
None
0.98A22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL
(Homo
sapiens)
4 / 5GLU A 477
ARG A 461
ASP A 446
THR A 366
None
1.14A20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
4 / 5GLU A 207
ARG A 202
ASP D 337
THR A 168
None
1.49A20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)
4 / 5GLU A 415
ARG A 524
ASP A 455
THR A 528
ZN  A1751 ( 1.9A)
BIX  A   1 ( 3.1A)
None
None
1.04A23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)
4 / 5GLU A 393
ARG A 453
LYS A 478
ASP A 466
None
1.27A21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
4hzh PROTHROMBIN
(Homo
sapiens)
4 / 5GLU A 250
ARG A 418
ASP A 417
THR A 186
None
1.31A20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2
(Homo
sapiens)
4 / 5GLU A 575
ARG A 554
ASP A 517
THR A 473
None
1.13A21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)
5vho 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT
10
26S PROTEASOME
REGULATORY SUBUNIT
6B
(Homo
sapiens)
4 / 5GLU G 187
ARG D 338
LYS D 369
ASP D 368
None
1.34A16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)
4 / 5GLU A 425
ARG A 534
ASP A 465
THR A 538
ZN  A1752 (-2.5A)
None
None
None
1.06A22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
2lav VACCINIA-RELATED
KINASE 1
(Homo
sapiens)
4 / 5GLU A  73
LYS A 179
ASP A 177
THR A 224
None
1.46A21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL
(Homo
sapiens)
4 / 5GLU A 477
ARG A 461
ASP A 446
THR A 366
None
1.25A21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
4 / 5GLU A 207
ARG A 202
ASP D 337
THR A 168
None
1.46A20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)
4 / 5GLU A 415
ARG A 524
ASP A 455
THR A 528
ZN  A1751 ( 1.9A)
BIX  A   1 ( 3.1A)
None
None
1.13A24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
4hzh PROTHROMBIN
(Homo
sapiens)
4 / 5GLU A 226
ARG A 418
ASP A 417
THR A 186
None
1.31A20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
4hzh PROTHROMBIN
(Homo
sapiens)
4 / 5GLU A 250
ARG A 418
ASP A 417
THR A 186
None
1.21A20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
5jtv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens)
4 / 5GLU A 317
ARG A 325
LYS A 327
ASP A 346
None
1.49A21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2
(Homo
sapiens)
4 / 5GLU A 575
ARG A 554
ASP A 517
THR A 473
None
1.16A21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)
5vho 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT
10
26S PROTEASOME
REGULATORY SUBUNIT
6B
(Homo
sapiens)
4 / 5GLU G 187
ARG D 338
LYS D 369
ASP D 368
None
1.37A16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)
4 / 5GLU A 425
ARG A 534
ASP A 465
THR A 538
ZN  A1752 (-2.5A)
None
None
None
1.03A22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL
(Homo
sapiens)
4 / 5GLU A 477
ARG A 461
ASP A 446
THR A 366
None
1.19A21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA
RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
4 / 5GLU A 207
ARG A 202
ASP D 337
THR A 168
None
1.46A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)
4 / 5GLU A 415
ARG A 524
ASP A 455
THR A 528
ZN  A1751 ( 1.9A)
BIX  A   1 ( 3.1A)
None
None
1.09A24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)
4 / 5GLU A 393
ARG A 453
LYS A 478
ASP A 466
None
1.29A20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
4hzh PROTHROMBIN
(Homo
sapiens)
4 / 5GLU A 226
ARG A 418
ASP A 417
THR A 186
None
1.31A21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
4hzh PROTHROMBIN
(Homo
sapiens)
4 / 5GLU A 250
ARG A 418
ASP A 417
THR A 186
None
1.22A21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2
(Homo
sapiens)
4 / 5GLU A 575
ARG A 554
ASP A 517
THR A 473
None
1.16A21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)
5vho 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT
10
26S PROTEASOME
REGULATORY SUBUNIT
6B
(Homo
sapiens)
4 / 5GLU G 187
ARG D 338
LYS D 369
ASP D 368
None
1.36A16.78