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.
4HWK_A_SFYA807_0
(SEPIAPTERIN
REDUCTASE)
2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)
5 / 11LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.10A21.08
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.
4HWK_A_SFYA807_0
(SEPIAPTERIN
REDUCTASE)
2rhz LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN
(Homo
sapiens)
5 / 11SER A 394
CYH A 390
PHE A 375
TYR A 388
ALA A 365
None
1.16A20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_A_SFYA807_0
(SEPIAPTERIN
REDUCTASE)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
11 / 11SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
ALA A 206
MET A 215
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
4KL  A 802 ( 4.3A)
None
0.55A94.44
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
1m1l SUPPRESSOR OF FUSED
(Homo
sapiens)
5 / 11LEU A 120
LEU A  98
MET A 141
GLN A 142
ALA A 145
None
1.43A23.71
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
1x3a SYNAPSE ASSOCIATED
PROTEIN 1
(Homo
sapiens)
5 / 11LEU A  53
SER A  22
LEU A  21
TRP A  77
ALA A  49
None
1.39A17.14
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)
5 / 11LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.08A21.08
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
2rhz LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN
(Homo
sapiens)
5 / 11SER A 394
CYH A 390
PHE A 375
TYR A 388
ALA A 365
None
1.18A20.00
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG
(Escherichia
coli;
Homo
sapiens)
5 / 11LEU A 460
LEU A 438
MET A 481
GLN A 482
ALA A 485
None
1.48A17.11
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
4gtu GLUTATHIONE
S-TRANSFERASE
(Homo
sapiens)
5 / 11LEU A 207
CYH A 114
PHE A 119
TRP A 214
TYR A 208
None
1.43A24.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
5 / 11LEU A 101
CYH A 168
PHE A 161
TRP A 164
MET A 202
None
None
None
None
NAP  A 801 (-3.5A)
1.43A94.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
11 / 11LEU A 101
SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
ALA A 206
None
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
4KL  A 802 ( 4.3A)
0.32A94.44
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6
(Homo
sapiens;
Homo
sapiens)
5 / 11LEU A 179
SER C1038
LEU C1037
GLN A 202
ALA A 199
None
None
None
GOL  A 401 ( 3.3A)
None
1.40A22.22
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6
(Homo
sapiens;
Homo
sapiens)
5 / 11LEU A 179
SER C1038
LEU C1037
TYR A 182
GLN A 202
None
None
None
None
GOL  A 401 ( 3.3A)
1.43A22.22
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.
4HWK_B_SFYB806_0
(SEPIAPTERIN
REDUCTASE)
6co1 TUDOR-INTERACTING
REPAIR REGULATOR
PROTEIN
(Homo
sapiens)
5 / 11LEU A 192
LEU A  60
PHE A 160
GLN A 199
ALA A 195
None
1.31Aundetectable
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
1x3a SYNAPSE ASSOCIATED
PROTEIN 1
(Homo
sapiens)
5 / 12LEU A  53
SER A  22
LEU A  21
TRP A  77
ALA A  49
None
1.41A17.14
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)
5 / 12LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.08A21.08
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
2rhz LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN
(Homo
sapiens)
5 / 12SER A 394
CYH A 390
PHE A 375
TYR A 388
ALA A 365
None
1.16A20.00
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
4gtu GLUTATHIONE
S-TRANSFERASE
(Homo
sapiens)
5 / 12LEU A 207
CYH A 114
PHE A 119
TRP A 214
TYR A 208
None
1.43A24.74
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
4l59 LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN 3
(Homo
sapiens)
5 / 12SER A 420
CYH A 416
PHE A 401
TYR A 414
ALA A 391
None
1.19A21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
5 / 12LEU A 101
CYH A 168
PHE A 161
TRP A 164
MET A 202
None
None
None
None
NAP  A 801 (-3.5A)
1.43A94.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
12 / 12LEU A 101
SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
ALA A 206
MET A 215
None
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
4KL  A 802 ( 4.3A)
None
0.50A94.44
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6
(Homo
sapiens;
Homo
sapiens)
5 / 12LEU A 179
SER C1038
LEU C1037
GLN A 202
ALA A 199
None
None
None
GOL  A 401 ( 3.3A)
None
1.38A22.22
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6
(Homo
sapiens;
Homo
sapiens)
5 / 12LEU A 179
SER C1038
LEU C1037
TYR A 182
GLN A 202
None
None
None
None
GOL  A 401 ( 3.3A)
1.42A22.22
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.
4HWK_C_SFYC804_0
(SEPIAPTERIN
REDUCTASE)
6co1 TUDOR-INTERACTING
REPAIR REGULATOR
PROTEIN
(Homo
sapiens)
5 / 12LEU A 192
LEU A  60
PHE A 160
GLN A 199
ALA A 195
None
1.31Aundetectable
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
1x3a SYNAPSE ASSOCIATED
PROTEIN 1
(Homo
sapiens)
5 / 11LEU A  53
SER A  22
LEU A  21
TRP A  77
ALA A  49
None
1.40A17.14
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)
5 / 11LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.12A21.08
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
2rhz LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN
(Homo
sapiens)
5 / 11SER A 394
CYH A 390
PHE A 375
TYR A 388
ALA A 365
None
1.15A20.00
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
4l59 LETHAL(3)MALIGNANT
BRAIN TUMOR-LIKE
PROTEIN 3
(Homo
sapiens)
5 / 11SER A 420
CYH A 416
PHE A 401
TYR A 414
ALA A 391
None
1.19A21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)
11 / 11LEU A 101
SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
ALA A 206
None
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
4KL  A 802 ( 4.3A)
0.27A94.44
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6
(Homo
sapiens;
Homo
sapiens)
5 / 11LEU A 179
SER C1038
LEU C1037
GLN A 202
ALA A 199
None
None
None
GOL  A 401 ( 3.3A)
None
1.39A22.22
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
6au8 GOLGI TO ER TRAFFIC
PROTEIN 4 HOMOLOG
LARGE PROLINE-RICH
PROTEIN BAG6
(Homo
sapiens;
Homo
sapiens)
5 / 11LEU A 179
SER C1038
LEU C1037
TYR A 182
GLN A 202
None
None
None
None
GOL  A 401 ( 3.3A)
1.45A22.22
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.
4HWK_D_SFYD803_0
(SEPIAPTERIN
REDUCTASE)
6co1 TUDOR-INTERACTING
REPAIR REGULATOR
PROTEIN
(Homo
sapiens)
5 / 11LEU A 192
LEU A  60
PHE A 160
GLN A 199
ALA A 195
None
1.33Aundetectable