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.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		6 / 9ASP A  64
ASP A  68
ARG A  73
LYS A 151
GLN A 185
ASP A 188
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
0.69A26.90
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.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		5 / 9ASP A  64
ASP A  68
ARG A  73
LYS A 151
THR A 152
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 ( 4.6A)
0.80A26.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2F89_F_210F9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		9 / 9ASP A 103
ASP A 107
ARG A 112
LYS A 200
THR A 201
TYR A 204
GLN A 240
ASP A 243
LYS A 257
 MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
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.
3SDR_A_210A822_1
(ALPHA-BISABOLENE
SYNTHASE)		2rhp THROMBOSPONDIN-2
(Homo
sapiens)		4 / 4ASP A 924
ASP A 922
ARG A 625
ASP A 673
 CA  A   3 (-3.0A)
CA  A   3 (-3.5A)
None
None
1.32A19.98
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.
3SDR_A_210A822_1
(ALPHA-BISABOLENE
SYNTHASE)		3ifq E-CADHERIN
PLAKOGLOBIN
(Homo
sapiens;
Mus
musculus)		4 / 4ASP A 449
ASP A 450
ARG C 630
ASP A 552
None
0.99A22.01
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.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		5 / 9LEU A  61
ARG A  73
LYS A 151
GLN A 185
LYS A 202
None
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 ( 2.6A)
1.31A26.90
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.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		7 / 9LEU A  61
ASP A  64
ASP A  68
ARG A  73
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 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
0.66A26.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KPJ_A_210A901_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		9 / 9LEU A 100
ASP A 103
ASP A 107
ARG A 112
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)
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)
0.26A99.71
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.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		5 / 9LEU A  61
ARG A  73
LYS A 151
GLN A 185
LYS A 202
None
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 ( 2.6A)
1.26A26.63
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.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		7 / 9LEU A  61
ASP A  64
ASP A  68
ARG A  73
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 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
0.64A26.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NKF_A_210A404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		9 / 9LEU A 100
ASP A 103
ASP A 107
ARG A 112
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)
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)
0.30A99.42
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.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		5 / 9LEU A  61
ARG A  73
LYS A 151
GLN A 185
LYS A 202
None
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 ( 2.6A)
1.32A26.63
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.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		7 / 9LEU A  61
ASP A  64
ASP A  68
ARG A  73
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 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
0.69A26.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OGU_A_210A405_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		9 / 9LEU A 100
ASP A 103
ASP A 107
ARG A 112
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)
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)
0.21A99.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		9 / 9LEU A  61
ASP A  64
ASP A  68
ARG A  73
LYS A 151
GLN A 185
ASP A 188
LYS A 202
LYS A 212
None
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
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)
GRG  A 500 (-2.8A)
0.72A34.04
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.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		5 / 9LEU A 100
ASP A 103
ARG A 112
LYS A 200
LYS A 257
None
MG  A 405 (-2.5A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-2.7A)
1WO  A 402 ( 2.8A)
1.36A23.44
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.
5ERO_A_210A804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		7 / 9LEU A 100
ASP A 103
ASP A 107
ARG A 112
LYS A 200
GLN A 240
ASP A 243
None
MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
0.62A23.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		9 / 9ASP A  64
ASP A  68
ARG A  73
LYS A 151
GLN A 185
ASP A 188
ASP A 189
LYS A 202
LYS A 212
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
None
GRG  A 500 ( 2.6A)
GRG  A 500 (-2.8A)
0.80A34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		5 / 9ASP A  68
ARG A  73
GLN A 185
ASP A 189
LYS A 202
 MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 (-3.2A)
None
GRG  A 500 ( 2.6A)
1.27A34.04
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		5 / 9ASP A 103
ARG A 112
LYS A 200
ASP A 244
LYS A 257
 MG  A 405 (-2.5A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-2.7A)
None
1WO  A 402 ( 2.8A)
1.30A23.44
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		7 / 9ASP A 103
ASP A 107
ARG A 112
LYS A 200
GLN A 240
ASP A 243
ASP A 244
 MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
None
0.53A23.44
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		5 / 9ASP A 103
ASP A 107
LYS A 200
GLN A 240
ASP A 243
 MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
1.42A23.44
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.
5ERO_B_210B804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		5 / 9ASP A 107
ARG A 112
GLN A 240
ASP A 243
ASP A 244
 MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
None
1.34A23.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		9 / 10ASP A  64
ASP A  65
ASP A  68
ARG A  73
LYS A 151
GLN A 185
ASP A 188
ASP A 189
LYS A 202
GRG  A 500 (-2.4A)
None
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
None
GRG  A 500 ( 2.6A)
0.83A34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		7 / 10ASP A  64
ASP A  65
ASP A  68
LYS A 151
GLN A 185
ASP A 188
LYS A 212
GRG  A 500 (-2.4A)
None
MG  A 400 (-2.6A)
GRG  A 500 (-2.8A)
GRG  A 500 (-3.2A)
GRG  A 500 (-3.5A)
GRG  A 500 (-2.8A)
0.68A34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		6 / 10ASP A  68
ASP A  65
ARG A  73
GLN A 185
ASP A 189
LYS A 202
 MG  A 400 (-2.6A)
None
GRG  A 500 (-2.9A)
GRG  A 500 (-3.2A)
None
GRG  A 500 ( 2.6A)
1.33A34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE
(Homo
sapiens)		5 / 10ASP A 188
ASP A 189
ASP A  64
ASP A  65
LYS A 212
GRG  A 500 (-3.5A)
None
GRG  A 500 (-2.4A)
None
GRG  A 500 (-2.8A)
0.63A34.04
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		8 / 10ASP A 103
ASP A 104
ASP A 107
ARG A 112
LYS A 200
GLN A 240
ASP A 243
ASP A 244
 MG  A 405 (-2.5A)
None
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
None
0.58A23.44
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		7 / 10ASP A 103
ASP A 107
ARG A 112
LYS A 200
GLN A 240
ASP A 244
LYS A 257
 MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.5A)
None
1WO  A 402 ( 2.8A)
0.98A23.44
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		5 / 10ASP A 103
ASP A 107
LYS A 200
GLN A 240
ASP A 243
 MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 (-2.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
1.39A23.44
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.
5ERO_C_210C804_1
(FUSICOCCADIENE
SYNTHASE)		4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE
(Homo
sapiens)		6 / 10ASP A 107
ASP A 104
ARG A 112
GLN A 240
ASP A 243
ASP A 244
 MG  A 405 (-2.4A)
None
ZOL  A 401 ( 2.7A)
ZOL  A 401 (-3.5A)
MG  A 404 (-2.8A)
None
1.37A23.44