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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)
6 / 12LEU A  61
ARG A  73
LYS A 151
GLN A 185
ASP A 188
LYS A 202
None
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
GRG  A 500 ( 2.6A)
1.33A26.90
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)
8 / 12LEU A  61
ASP A  64
ASP A  68
ARG A  73
GLN A 126
LYS A 151
GLN A 185
ASP A 188
None
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 ( 3.5A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
0.82A26.90
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)
7 / 12LEU A  61
ASP A  64
ASP A  68
ARG A  73
GLN A 126
LYS A 151
THR A 152
None
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 ( 3.5A)
GRG  A 500 (-2.8A)
GRG  A 500 ( 4.6A)
0.89A26.90
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.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)
6 / 12LEU A  61
ASP A  64
ASP A  68
ARG A  73
THR A 152
GLN A 126
None
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 ( 4.6A)
GRG  A 500 ( 3.5A)
1.41A26.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)
11 / 12LEU A 100
ASP A 103
ASP A 107
ARG A 112
THR A 167
GLN A 171
LYS A 200
THR A 201
GLN A 240
ASP A 243
LYS A 257
None
MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
None
ZOL  A 401 ( 3.8A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
1WO  A 402 ( 2.8A)
0.56A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)
11 / 12LEU A 100
ASP A 103
ASP A 107
ARG A 112
THR A 167
LYS A 200
THR A 201
TYR A 204
GLN A 240
ASP A 243
LYS A 257
None
MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
None
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.7A)
None
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
1WO  A 402 ( 2.8A)
0.27A100.00
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
1jeq KU70
(Homo
sapiens)
4 / 8LEU A 420
ASP A 421
ASP A 422
LYS A 245
None
1.06A19.76
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
1jeq KU70
(Homo
sapiens)
4 / 8SER A  37
LEU A  82
ASP A  81
ASP A  79
None
0.78A19.76
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)
7 / 8SER A  60
LEU A  61
ASP A  64
ASP A  68
ARG A  73
GLN A 126
LYS A 151
GRG  A 500 ( 4.2A)
None
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 ( 3.5A)
GRG  A 500 (-2.8A)
0.73A24.93
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
2wmo DEDICATOR OF
CYTOKINESIS PROTEIN
9
(Homo
sapiens)
4 / 8LEU A 335
MET A 408
GLN A 405
LYS A 409
None
1.04A21.36
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)
6 / 8LEU A 100
ASP A 103
ASP A 107
ARG A 112
GLN A 171
LYS A 200
None
MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 ( 3.8A)
ZOL  A 401 (-2.7A)
0.68A28.41
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
5iaa UBIQUITIN-FOLD
MODIFIER 1
UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5
(Homo
sapiens)
4 / 8SER C  12
LEU C  10
ASP C  13
GLN A 289
None
0.95A10.96
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
5oik TRANSCRIPTION
ELONGATION FACTOR
SPT5
(Homo
sapiens)
4 / 8SER Z 504
LEU Z 506
ASP Z 505
LYS Z 479
None
0.93A13.36
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)
4 / 8SER A 323
LEU A 324
ASP A 239
LYS A 243
None
1.01A14.86
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.
4UMJ_A_BFQA1298_1
(GERANYLTRANSTRANSFER
ASE)
2egc SH3 AND PX
DOMAIN-CONTAINING
PROTEIN 2A
(Homo
sapiens)
4 / 4ILE A  49
PHE A  28
GLN A  29
ASP A  18
None
1.22A15.67
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)
8 / 9SER A  60
LEU A  61
ASP A  64
ASP A  68
ARG A  73
GLN A 126
LYS A 151
THR A 152
GRG  A 500 ( 4.2A)
None
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 ( 3.5A)
GRG  A 500 (-2.8A)
GRG  A 500 ( 4.6A)
0.65A24.93
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)
7 / 9LEU A 100
ASP A 103
ASP A 107
ARG A 112
GLN A 171
LYS A 200
THR A 201
None
MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 ( 3.8A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.7A)
0.59A28.41
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.
4UMJ_B_BFQB1294_1
(GERANYLTRANSTRANSFER
ASE)
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)
5 / 9LEU A 100
ASP A 103
ASP A 107
ARG A 112
THR A 167
None
MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
None
1.24A28.41