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.
2V0Z_C_C41C1328_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
6 / 12ASP B  32
GLY B  34
SER B  35
ASP B 217
GLY B 219
SER B 221
None
0.62A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
6 / 12ASP B  32
GLY B  34
SER B  35
PHE B 117
ASP B 217
GLY B 219
None
0.58A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B 217
GLY B 219
ASP B  32
GLY B  34
SER B  36
None
0.75A36.09
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.
2V0Z_C_C41C1328_1
(RENIN)
1lyb CATHEPSIN D
(Homo
sapiens)
6 / 12GLN A  14
VAL A  31
ASP A  33
GLY A  35
SER A  36
TYR A  78
None
0.28A20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
1qrp PEPSIN 3A
(Homo
sapiens)
9 / 12VAL E  30
ASP E  32
GLY E  34
SER E  35
TYR E  75
PHE E 117
ASP E 215
GLY E 217
SER E 219
HH0  E 327 ( 4.7A)
HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-4.1A)
HH0  E 327 (-4.5A)
HH0  E 327 ( 4.8A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.5A)
HH0  E 327 (-3.0A)
0.48A38.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
1tzs CATHEPSIN E
(Homo
sapiens)
8 / 12ASP A  43
GLY A  45
SER A  46
TYR A  86
PHE A 128
ASP A 228
GLY A 230
SER A 232
None
0.65A40.34
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.
2V0Z_C_C41C1328_1
(RENIN)
2ewy BETA-SECRETASE 2
(Homo
sapiens)
6 / 12ASP A  48
GLY A  50
SER A  51
TYR A  87
ASP A 241
GLY A 243
DBO  A1001 (-2.7A)
DBO  A1001 (-3.7A)
DBO  A1001 (-4.1A)
DBO  A1001 (-3.8A)
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
0.39A27.98
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.
2V0Z_C_C41C1328_1
(RENIN)
2ewy BETA-SECRETASE 2
(Homo
sapiens)
6 / 12ASP A 241
GLY A 243
VAL A 344
ASP A  48
GLY A  50
SER A  52
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
None
DBO  A1001 (-2.7A)
DBO  A1001 (-3.7A)
None
1.19A27.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
5 / 12ASP A 221
GLY A 223
PRO A 301
ASP A  33
GLY A  35
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
None
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
0.91A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
12 / 12GLN A  14
VAL A  31
ASP A  33
GLY A  35
SER A  36
TYR A  78
PRO A 113
PHE A 119
VAL A 122
ASP A 221
GLY A 223
SER A 225
4IG  A 885 (-3.2A)
4IG  A 885 (-4.3A)
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 ( 4.8A)
4IG  A 885 (-4.0A)
4IG  A 885 (-4.7A)
None
4IG  A 885 ( 4.4A)
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 (-3.1A)
0.45A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
3oag RENIN
(Homo
sapiens)
8 / 12GLN A  19
VAL A  36
ASP A  38
GLY A  40
SER A  41
PRO A 118
PHE A 124
VAL A 127
LPQ  A 167 ( 4.4A)
LPQ  A 167 ( 4.5A)
LPQ  A 167 (-2.8A)
LPQ  A 167 (-3.8A)
LPQ  A 167 ( 3.9A)
LPQ  A 167 ( 4.4A)
LPQ  A 167 (-4.6A)
LPQ  A 167 (-4.6A)
0.50A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
4amt RENIN
(Homo
sapiens)
5 / 12ASP A 269
GLY A 271
PRO A 349
ASP A  81
GLY A  83
None
0.87A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
4amt RENIN
(Homo
sapiens)
6 / 12GLN A 178
ASP A 269
GLY A 271
ASP A  81
GLY A  83
SER A  85
None
1.00A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
4amt RENIN
(Homo
sapiens)
8 / 12VAL A  79
ASP A  81
GLY A  83
SER A  84
PHE A 167
VAL A 170
ASP A 269
GLY A 271
None
0.62A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
4amt RENIN
(Homo
sapiens)
8 / 12VAL A  79
ASP A  81
GLY A  83
SER A  84
VAL A 170
ASP A 269
GLY A 271
SER A 273
None
None
None
None
None
None
None
SO4  A1387 (-3.8A)
0.58A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_C_C41C1328_1
(RENIN)
4amt RENIN
(Homo
sapiens)
6 / 12VAL A  79
ASP A  81
SER A  84
PRO A 161
PHE A 167
VAL A 170
None
0.66A88.77
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.
2V0Z_C_C41C1328_1
(RENIN)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A  32
GLY A  34
SER A  35
ASP A 228
GLY A 230
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
3LL  A 501 ( 4.3A)
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
0.32A26.25
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.
2V0Z_C_C41C1328_1
(RENIN)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
6 / 12ASP A 228
GLY A 230
VAL A 332
ASP A  32
GLY A  34
SER A  36
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
1.04A26.25
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.
2V0Z_C_C41C1328_1
(RENIN)
6ej2 BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A 441
GLY A 443
SER A 444
ASP A 637
GLY A 639
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
B7E  A 901 ( 3.7A)
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
0.34A13.38
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.
2V0Z_C_C41C1328_1
(RENIN)
6ej2 BETA-SECRETASE 1
(Homo
sapiens)
6 / 12ASP A 637
GLY A 639
VAL A 741
ASP A 441
GLY A 443
SER A 445
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
None
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
None
1.04A13.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B  32
GLY B  34
ALA B 115
PHE B 117
GLY B 219
None
0.77A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B  32
GLY B  34
ASP B 217
GLY B 219
SER B 221
None
0.65A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B  32
GLY B  34
PHE B 117
ASP B 217
GLY B 219
None
0.56A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B 217
GLY B 219
ASP B  32
GLY B  34
SER B  36
None
0.71A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
1qrp PEPSIN 3A
(Homo
sapiens)
8 / 12VAL E  30
ASP E  32
GLY E  34
ALA E 115
PHE E 117
ASP E 215
GLY E 217
SER E 219
HH0  E 327 ( 4.7A)
HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
None
HH0  E 327 ( 4.8A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.5A)
HH0  E 327 (-3.0A)
0.56A38.62
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.
2V0Z_O_C41O1327_1
(RENIN)
1sqw SACCHAROMYCES
CEREVISIAE NIP7P
HOMOLOG
(Homo
sapiens)
5 / 12VAL A 133
GLY A 130
ALA A 103
VAL A  97
GLY A 144
None
0.91A20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
1tzs CATHEPSIN E
(Homo
sapiens)
7 / 12ASP A  43
GLY A  45
PHE A 128
ASP A 228
GLY A 230
SER A 232
ILE A 307
None
0.92A40.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
1tzs CATHEPSIN E
(Homo
sapiens)
5 / 12ASP A 228
GLY A 230
ALA A 311
ASP A  43
GLY A  45
None
0.56A40.34
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.
2V0Z_O_C41O1327_1
(RENIN)
2ewy BETA-SECRETASE 2
(Homo
sapiens)
6 / 12ASP A 241
GLY A 243
VAL A 344
ASP A  48
GLY A  50
SER A  52
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
None
DBO  A1001 (-2.7A)
DBO  A1001 (-3.7A)
None
1.18A27.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
12 / 12GLN A  14
VAL A  31
ASP A  33
GLY A  35
ALA A 117
PHE A 119
VAL A 122
GLN A 130
ASP A 221
GLY A 223
SER A 225
ILE A 300
4IG  A 885 (-3.2A)
4IG  A 885 (-4.3A)
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 ( 4.6A)
None
4IG  A 885 ( 4.4A)
None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 (-3.1A)
None
0.49A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
3oag RENIN
(Homo
sapiens)
8 / 12GLN A  19
VAL A  36
ASP A  38
GLY A  40
ALA A 122
PHE A 124
VAL A 127
GLN A 135
LPQ  A 167 ( 4.4A)
LPQ  A 167 ( 4.5A)
LPQ  A 167 (-2.8A)
LPQ  A 167 (-3.8A)
LPQ  A 167 (-3.6A)
LPQ  A 167 (-4.6A)
LPQ  A 167 (-4.6A)
None
0.38A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
4amt RENIN
(Homo
sapiens)
6 / 12GLN A 178
ASP A 269
GLY A 271
ASP A  81
GLY A  83
SER A  85
None
1.00A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
4amt RENIN
(Homo
sapiens)
6 / 12VAL A  79
ASP A  81
ALA A 165
PHE A 167
VAL A 170
GLN A 178
None
0.71A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
4amt RENIN
(Homo
sapiens)
8 / 12VAL A  79
ASP A  81
GLY A  83
PHE A 167
VAL A 170
GLN A 178
ASP A 269
GLY A 271
None
0.66A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_1
(RENIN)
4amt RENIN
(Homo
sapiens)
9 / 12VAL A  79
ASP A  81
GLY A  83
VAL A 170
GLN A 178
ASP A 269
GLY A 271
SER A 273
ILE A 348
None
None
None
None
None
None
None
SO4  A1387 (-3.8A)
None
0.70A88.77
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.
2V0Z_O_C41O1327_1
(RENIN)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
6 / 12ASP A 228
GLY A 230
VAL A 332
ASP A  32
GLY A  34
SER A  36
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
1.03A26.25
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.
2V0Z_O_C41O1327_1
(RENIN)
6ej2 BETA-SECRETASE 1
(Homo
sapiens)
6 / 12ASP A 637
GLY A 639
VAL A 741
ASP A 441
GLY A 443
SER A 445
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
None
B7E  A 901 (-2.9A)
B7E  A 901 ( 3.8A)
None
1.03A13.38
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.
2V0Z_O_C41O1327_2
(RENIN)
1qmn ALPHA-1-ANTICHYMOTRY
PSIN
(Homo
sapiens)
4 / 8SER A 178
SER A 314
THR A 313
LEU A 304
None
1.14A21.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_2
(RENIN)
2g1s RENIN
(Homo
sapiens)
7 / 8TYR A  15
SER A  36
TYR A  78
SER A  79
THR A  80
PRO A 113
LEU A 116
None
4IG  A 885 ( 4.8A)
4IG  A 885 (-4.0A)
4IG  A 885 (-3.0A)
4IG  A 885 (-3.5A)
4IG  A 885 (-4.7A)
4IG  A 885 (-3.5A)
0.64A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_2
(RENIN)
2g1s RENIN
(Homo
sapiens)
5 / 8TYR A  15
SER A  36
TYR A  78
SER A  79
THR A 304
None
4IG  A 885 ( 4.8A)
4IG  A 885 (-4.0A)
4IG  A 885 (-3.0A)
None
0.65A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_2
(RENIN)
2g1s RENIN
(Homo
sapiens)
4 / 8TYR A  16
SER A  36
SER A  79
THR A  80
None
4IG  A 885 ( 4.8A)
4IG  A 885 (-3.0A)
4IG  A 885 (-3.5A)
0.90A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_2
(RENIN)
3oag RENIN
(Homo
sapiens)
4 / 8TYR A  20
SER A  41
PRO A 118
LEU A 121
None
LPQ  A 167 ( 3.9A)
LPQ  A 167 ( 4.4A)
None
0.61A100.00
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.
2V0Z_O_C41O1327_2
(RENIN)
3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens)
4 / 8TYR A1162
TYR A1167
LEU A1450
THR A1552
None
0.99A17.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2V0Z_O_C41O1327_2
(RENIN)
4amt RENIN
(Homo
sapiens)
4 / 8TYR A 126
SER A 127
THR A 128
PRO A 161
None
0.89A88.77
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.
2V0Z_O_C41O1327_2
(RENIN)
4asc KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 5
(Homo
sapiens)
4 / 8SER A 413
TYR A 415
LEU A 429
THR A 356
None
1.19A22.66
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.
2V0Z_O_C41O1327_2
(RENIN)
4cgy DNA TOPOISOMERASE
3-ALPHA
(Homo
sapiens)
4 / 8TYR A 241
SER A 240
THR A 219
LEU A 113
None
0.93A16.38
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.
2V0Z_O_C41O1327_2
(RENIN)
5kkr KINASE SUPPRESSOR OF
RAS 2
(Homo
sapiens)
4 / 8TYR B 865
THR B 862
LEU B 829
THR B 763
None
1.13A20.33
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.
2V0Z_O_C41O1327_2
(RENIN)
5m76 LIGHT CHAIN DIMER
(Homo
sapiens)
4 / 8SER A 182
TYR A 180
SER A 179
THR A 164
None
1.08A20.06