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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
10 / 12GLU A 203
GLU A 204
TRP A 623
SER A 624
TYR A 625
VAL A 650
TYR A 656
TYR A 660
VAL A 705
HIS A 734
None
0.49A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
8 / 12GLU A 203
GLU A 204
TYR A 541
SER A 624
TYR A 625
VAL A 650
TYR A 656
TYR A 660
None
0.75A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
7 / 12PHE A 350
TRP A 623
SER A 624
TYR A 625
VAL A 650
TYR A 660
HIS A 734
None
0.94A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
6 / 12PHE A 350
TYR A 541
SER A 624
TYR A 625
VAL A 650
TYR A 660
None
1.14A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
5 / 12TRP A 623
TYR A 628
TYR A 656
VAL A 705
HIS A 734
None
1.13A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)
11 / 12GLU A 205
GLU A 206
PHE A 357
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
None
ACF  A 800 (-1.3A)
None
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
None
0.25A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)
11 / 12GLU A 205
GLU A 206
PHE A 357
TYR A 547
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
HIS A 740
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
ACF  A 800 (-4.5A)
None
ACF  A 800 (-1.3A)
None
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
0.49A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)
5 / 12GLU A 206
SER A 630
VAL A 656
TYR A 662
VAL A 711
ACF  A 800 (-3.2A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
None
1.24A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)
5 / 12GLU A 206
TYR A 547
SER A 630
VAL A 656
TYR A 662
ACF  A 800 (-3.2A)
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
1.35A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10
(Homo
sapiens)
6 / 12GLU A 233
GLU A 234
TYR A 652
TYR A 683
VAL A 730
HIS A 759
None
0.68A36.76
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 12GLU A 109
SER A 162
VAL A 164
VAL A 150
HIS A 153
None
1.33A18.25
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
6eoq DIPEPTIDYL PEPTIDASE
9
(Homo
sapiens)
8 / 12GLU A 249
SER A 730
TYR A 731
VAL A 756
TYR A 762
TYR A 766
VAL A 811
HIS A 840
None
0.58A6.99
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
6eoq DIPEPTIDYL PEPTIDASE
9
(Homo
sapiens)
5 / 12GLU A 249
TYR A 644
TYR A 731
TYR A 762
TYR A 766
None
0.62A6.99
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)
10 / 12GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
VAL A 836
HIS A 865
None
0.56A8.24
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)
6 / 12GLU A 275
TYR A 669
SER A 755
VAL A 781
TYR A 787
VAL A 836
None
1.19A8.24
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.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)
6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)
5 / 12SER A 755
TYR A 759
TYR A 787
VAL A 836
HIS A 865
None
1.09A8.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
10 / 11GLU A 203
GLU A 204
TRP A 623
SER A 624
TYR A 625
VAL A 650
TYR A 656
TYR A 660
VAL A 705
HIS A 734
None
0.47A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
7 / 11GLU A 203
GLU A 204
TYR A 541
TYR A 625
VAL A 650
TYR A 656
TYR A 660
None
0.75A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT
(Homo
sapiens)
5 / 11TRP A 623
TYR A 628
TYR A 656
VAL A 705
HIS A 734
None
1.11A53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)
11 / 11GLU A 205
GLU A 206
TYR A 547
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
ACF  A 800 (-4.5A)
None
ACF  A 800 (-1.3A)
None
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
None
0.47A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)
5 / 11TRP A 629
TYR A 634
TYR A 662
VAL A 711
HIS A 740
None
None
ACF  A 800 (-4.1A)
None
None
1.11A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10
(Homo
sapiens)
5 / 11GLU A 233
TYR A 652
TYR A 683
VAL A 730
HIS A 759
None
0.63A36.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10
(Homo
sapiens)
5 / 11GLU A 234
TYR A 652
TYR A 683
VAL A 730
HIS A 759
None
0.57A36.76
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 11GLU A 109
SER A 162
VAL A 164
VAL A 150
HIS A 153
None
1.32A18.25
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
6eoq DIPEPTIDYL PEPTIDASE
9
(Homo
sapiens)
8 / 11GLU A 249
SER A 730
TYR A 731
VAL A 756
TYR A 762
TYR A 766
VAL A 811
HIS A 840
None
0.50A6.99
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
6eoq DIPEPTIDYL PEPTIDASE
9
(Homo
sapiens)
5 / 11GLU A 249
TYR A 644
TYR A 731
TYR A 762
TYR A 766
None
0.60A6.99
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)
10 / 11GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
VAL A 836
HIS A 865
None
0.54A8.24
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)
6 / 11GLU A 275
TYR A 669
SER A 755
VAL A 781
TYR A 787
VAL A 836
None
1.18A8.24
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.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)
6eot DIPEPTIDYL PEPTIDASE
8
(Homo
sapiens)
5 / 11SER A 755
TYR A 759
TYR A 787
VAL A 836
HIS A 865
None
1.12A8.24