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.
3D91_A_REMA350_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B  32
GLY B  34
PHE B  15
ASP B 217
SER B 221
None
0.78A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B 217
GLY B 219
LEU B  30
ASP B  32
SER B  36
None
0.83A36.09
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.
3D91_A_REMA350_1
(RENIN)
1m54 CYSTATHIONINE
BETA-SYNTHASE
(Homo
sapiens)
5 / 12GLY A 307
THR A 296
LEU A 287
ASP A 281
ALA A 288
None
1.24A22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
1qrp PEPSIN 3A
(Homo
sapiens)
6 / 12ASP E  32
GLY E  34
THR E  77
PHE E 117
ASP E 215
SER E 219
HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-3.2A)
HH0  E 327 ( 4.8A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.0A)
0.77A38.62
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.
3D91_A_REMA350_1
(RENIN)
2ewy BETA-SECRETASE 2
(Homo
sapiens)
5 / 12ASP A 241
GLY A 243
LEU A  46
ASP A  48
SER A  52
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
None
DBO  A1001 (-2.7A)
None
0.86A27.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
8 / 12ASP A  33
GLY A  35
SER A  79
PHE A 119
LEU A 219
ASP A 221
SER A 228
ALA A 309
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.0A)
None
None
4IG  A 885 (-2.6A)
None
None
0.73A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
10 / 12GLN A  14
ASP A  33
GLY A  35
THR A  80
PHE A 119
LEU A 219
ASP A 221
SER A 225
SER A 228
ALA A 309
4IG  A 885 (-3.2A)
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.5A)
None
None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.1A)
None
None
0.46A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
5 / 12GLY A  35
PHE A 114
LEU A 219
SER A 228
ALA A 309
4IG  A 885 (-3.5A)
4IG  A 885 ( 4.8A)
None
None
None
1.12A100.00
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.
3D91_A_REMA350_1
(RENIN)
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL
(Homo
sapiens)
5 / 12GLY A 248
SER A 280
LEU A 376
SER A 276
ALA A 373
None
1.28A24.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
3oad RENIN
(Homo
sapiens)
6 / 12LEU B 224
ASP B 226
SER B 230
SER B 233
HIS B 301
ALA B 314
None
0.36A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
4amt RENIN
(Homo
sapiens)
7 / 12ASP A  81
GLY A  83
LEU A 267
ASP A 269
SER A 273
SER A 276
ALA A 357
None
None
None
None
SO4  A1387 (-3.8A)
None
None
0.42A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
4amt RENIN
(Homo
sapiens)
7 / 12ASP A  81
GLY A  83
PHE A 167
LEU A 267
ASP A 269
SER A 276
ALA A 357
None
0.70A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_1
(RENIN)
4amt RENIN
(Homo
sapiens)
6 / 12GLN A  62
ASP A  81
GLY A  83
LEU A 267
ASP A 269
SER A 273
None
None
None
None
None
SO4  A1387 (-3.8A)
1.32A88.77
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.
3D91_A_REMA350_1
(RENIN)
4h1s 5'-NUCLEOTIDASE
(Homo
sapiens)
5 / 12ASP A 226
GLY A 241
LEU A 218
SER A 178
ALA A 114
None
1.29A21.54
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.
3D91_A_REMA350_1
(RENIN)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A 228
GLY A 230
LEU A  30
ASP A  32
SER A  36
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
None
0.73A26.63
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.
3D91_A_REMA350_1
(RENIN)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A 228
GLY A 230
THR A  72
LEU A  30
ASP A  32
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
1.08A26.63
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.
3D91_A_REMA350_1
(RENIN)
5f9s SERINE--PYRUVATE
AMINOTRANSFERASE
(Homo
sapiens)
5 / 12GLN A  65
SER A 218
LEU A 242
SER A 221
ALA A  88
None
1.25A22.54
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.
3D91_A_REMA350_1
(RENIN)
5iaa UBIQUITIN-FOLD
MODIFIER 1
UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5
(Homo
sapiens)
5 / 12GLY A 214
SER C  12
THR C  11
ASP C  80
SER C  47
None
1.17A24.18
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.
3D91_A_REMA350_1
(RENIN)
5mov CASEIN KINASE II
SUBUNIT ALPHA
(Homo
sapiens)
5 / 12GLN A  40
GLY A  34
THR A  60
ASP A  99
ALA A  98
None
1.25A22.31
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.
3D91_A_REMA350_1
(RENIN)
5v1b EGL NINE HOMOLOG 2
(Homo
sapiens)
5 / 12GLY A 305
PHE A 350
LEU A 389
ASP A 304
ALA A 390
None
1.20A18.77
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.
3D91_A_REMA350_1
(RENIN)
6ej2 BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A 637
GLY A 639
LEU A 439
ASP A 441
SER A 445
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
None
0.70A13.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_2
(RENIN)
2g1s RENIN
(Homo
sapiens)
4 / 5ALA A 117
ALA A 224
TYR A 226
MET A 298
4IG  A 885 ( 4.6A)
4IG  A 885 ( 4.7A)
None
None
0.72A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_A_REMA350_2
(RENIN)
2g1s RENIN
(Homo
sapiens)
4 / 5TYR A  78
ALA A 117
ALA A 224
MET A 298
4IG  A 885 (-4.0A)
4IG  A 885 ( 4.6A)
4IG  A 885 ( 4.7A)
None
0.49A100.00
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.
3D91_A_REMA350_2
(RENIN)
2nmp CYSTATHIONINE
GAMMA-LYASE
(Homo
sapiens)
4 / 5TYR A 208
ALA A 203
ALA A  76
TYR A  83
None
1.25A23.13
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.
3D91_A_REMA350_2
(RENIN)
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)
4 / 5TYR A 237
ALA A 250
ALA A 154
TYR A 607
None
1.11A19.31
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.
3D91_A_REMA350_2
(RENIN)
3fht ATP-DEPENDENT RNA
HELICASE DDX19B
(Homo
sapiens)
4 / 5ALA A 334
ALA A 439
TYR A 310
MET A 442
None
1.21A20.24
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.
3D91_A_REMA350_2
(RENIN)
3iuy PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX53
(Homo
sapiens)
4 / 5TYR A 285
ALA A 387
ALA A 275
TYR A 438
None
1.22A21.52
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.
3D91_A_REMA350_2
(RENIN)
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT
(Homo
sapiens)
4 / 5ALA A 597
ALA A 582
TYR A 581
MET A 629
None
1.10A13.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
1htr GASTRICSIN
(Homo
sapiens)
5 / 12ASP B 217
GLY B 219
LEU B  30
ASP B  32
SER B  36
None
0.88A36.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
1qrp PEPSIN 3A
(Homo
sapiens)
5 / 12ASP E  32
GLY E  34
THR E  77
ASP E 215
SER E 219
HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-3.2A)
HH0  E 327 (-2.5A)
HH0  E 327 (-3.0A)
0.46A38.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
1qrp PEPSIN 3A
(Homo
sapiens)
5 / 12ASP E  32
GLY E  34
THR E  77
VAL E  30
ASP E 215
HH0  E 327 (-2.7A)
HH0  E 327 (-4.1A)
HH0  E 327 (-3.2A)
HH0  E 327 ( 4.7A)
HH0  E 327 (-2.5A)
1.07A38.62
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.
3D91_B_REMB350_1
(RENIN)
2ewy BETA-SECRETASE 2
(Homo
sapiens)
5 / 12ASP A 241
GLY A 243
LEU A  46
ASP A  48
SER A  52
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
None
DBO  A1001 (-2.7A)
None
0.89A27.91
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.
3D91_B_REMB350_1
(RENIN)
2ewy BETA-SECRETASE 2
(Homo
sapiens)
5 / 12ASP A 241
GLY A 243
VAL A 344
LEU A  46
ASP A  48
DBO  A1001 (-3.2A)
DBO  A1001 (-4.2A)
None
None
DBO  A1001 (-2.7A)
1.01A27.91
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.
3D91_B_REMB350_1
(RENIN)
2fy2 CHOLINE
O-ACETYLTRANSFERASE
(Homo
sapiens)
5 / 12GLY A 292
SER A 237
THR A 236
VAL A 321
ALA A 300
None
1.25A21.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
8 / 12ASP A  33
GLY A  35
SER A  79
THR A  80
VAL A  31
LEU A 219
ASP A 221
SER A 228
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.0A)
4IG  A 885 (-3.5A)
4IG  A 885 (-4.3A)
None
4IG  A 885 (-2.6A)
None
1.36A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
2g1s RENIN
(Homo
sapiens)
11 / 12GLN A  14
ASP A  33
GLY A  35
SER A  79
THR A  80
VAL A 122
LEU A 219
ASP A 221
ALA A 224
SER A 225
SER A 228
4IG  A 885 (-3.2A)
4IG  A 885 (-2.7A)
4IG  A 885 (-3.5A)
4IG  A 885 (-3.0A)
4IG  A 885 (-3.5A)
4IG  A 885 ( 4.4A)
None
4IG  A 885 (-2.6A)
4IG  A 885 ( 4.7A)
4IG  A 885 (-3.1A)
None
0.55A100.00
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.
3D91_B_REMB350_1
(RENIN)
2ger PYRROLINE-5-CARBOXYL
ATE REDUCTASE 1
(Homo
sapiens)
5 / 12GLN A  10
GLY A   4
SER A  33
LEU A  66
ALA A  69
None
1.26A22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
3oad RENIN
(Homo
sapiens)
6 / 12LEU B 224
ASP B 226
ALA B 229
SER B 230
SER B 233
HIS B 301
None
0.37A100.00
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.
3D91_B_REMB350_1
(RENIN)
3vzb SPHINGOSINE KINASE 1
(Homo
sapiens)
5 / 12GLN A 128
GLY A  80
ASP A  81
ALA A 115
SER A 168
None
None
None
SQS  A 401 ( 4.8A)
SQS  A 401 (-3.1A)
1.19A17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
4amt RENIN
(Homo
sapiens)
8 / 12ASP A  81
GLY A  83
VAL A 170
LEU A 267
ASP A 269
ALA A 272
SER A 273
SER A 276
None
None
None
None
None
SO4  A1387 (-3.4A)
SO4  A1387 (-3.8A)
None
0.57A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
4amt RENIN
(Homo
sapiens)
8 / 12GLN A  62
ASP A  81
GLY A  83
LEU A 267
ASP A 269
ALA A 272
SER A 273
SER A 276
None
None
None
None
None
SO4  A1387 (-3.4A)
SO4  A1387 (-3.8A)
None
1.35A88.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_1
(RENIN)
4amt RENIN
(Homo
sapiens)
8 / 12GLN A  62
ASP A  81
GLY A  83
VAL A  79
LEU A 267
ASP A 269
ALA A 272
SER A 276
None
None
None
None
None
None
SO4  A1387 (-3.4A)
None
1.33A88.77
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.
3D91_B_REMB350_1
(RENIN)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A 228
GLY A 230
LEU A  30
ASP A  32
SER A  36
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
None
0.72A26.63
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.
3D91_B_REMB350_1
(RENIN)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
6 / 12ASP A 228
GLY A 230
THR A  72
VAL A 332
LEU A  30
ASP A  32
3LL  A 501 (-2.6A)
3LL  A 501 (-3.0A)
None
None
3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
1.06A26.63
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.
3D91_B_REMB350_1
(RENIN)
5knm LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1
(Homo
sapiens)
5 / 12GLY D  97
SER D 189
VAL D  15
ALA D 176
SER D 124
None
1.16A21.07
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.
3D91_B_REMB350_1
(RENIN)
6ej2 BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A 637
GLY A 639
LEU A 439
ASP A 441
SER A 445
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
None
0.71A13.38
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.
3D91_B_REMB350_1
(RENIN)
6ej2 BETA-SECRETASE 1
(Homo
sapiens)
5 / 12ASP A 637
GLY A 639
VAL A 741
LEU A 439
ASP A 441
B7E  A 901 (-2.6A)
B7E  A 901 (-3.8A)
None
B7E  A 901 (-4.6A)
B7E  A 901 (-2.9A)
0.79A13.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3D91_B_REMB350_2
(RENIN)
2g1s RENIN
(Homo
sapiens)
4 / 4VAL A  31
TYR A  78
PRO A 113
PHE A 119
4IG  A 885 (-4.3A)
4IG  A 885 (-4.0A)
4IG  A 885 (-4.7A)
None
0.57A100.00
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.
3D91_B_REMB350_2
(RENIN)
3ceg BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 6
(Homo
sapiens)
4 / 4VAL A4625
TYR A4699
PRO A4592
PHE A4627
None
1.23A21.45
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.
3D91_B_REMB350_2
(RENIN)
6ejb XYLOSYLTRANSFERASE 1
(Homo
sapiens)
4 / 4VAL A 839
TYR A 867
PRO A 810
PHE A 837
None
1.28A12.61