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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1dbh PROTEIN (HUMAN SOS
1)
(Homo
sapiens)
5 / 12MET A 538
LEU A 541
ILE A 461
HIS A 460
ALA A 528
None
1.20A20.11
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1fu1 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens)
5 / 12LEU A  28
ILE A  34
LEU A 108
ALA A  73
TYR A  66
None
None
ACY  A 501 ( 4.9A)
None
None
1.08A20.75
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1fu1 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens)
5 / 12LEU A  28
ILE A  34
THR A  37
LEU A 108
TYR A  66
None
None
None
ACY  A 501 ( 4.9A)
None
1.24A20.75
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1luj CATENIN BETA-1
(Homo
sapiens)
5 / 12LEU A 498
ILE A 569
VAL A 564
LEU A 577
ALA A 576
None
1.21A19.42
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1xdv SON OF SEVENLESS
PROTEIN HOMOLOG 1
(Homo
sapiens)
5 / 12MET A 538
LEU A 541
ILE A 461
HIS A 460
ALA A 528
None
1.19A14.15
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1zrz PROTEIN KINASE C,
IOTA
(Homo
sapiens)
5 / 12LEU A 430
ILE A 507
VAL A 516
LEU A 360
ALA A 356
None
1.18A21.31
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3mud DNA REPAIR PROTEIN
XRCC4,TROPOMYOSIN
ALPHA-1 CHAIN
(Gallus
gallus;
Homo
sapiens)
5 / 12LEU A  28
ILE A  34
LEU A 108
ALA A  73
TYR A  66
None
1.00A20.94
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3q4f DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens)
5 / 12LEU C  28
ILE C  34
LEU C 108
ALA C  73
TYR C  66
None
1.18A19.17
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3w03 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens)
5 / 12LEU C  28
ILE C  34
LEU C 108
ALA C  73
TYR C  66
None
1.08A18.03
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3w03 DNA REPAIR PROTEIN
XRCC4
(Homo
sapiens)
5 / 12LEU C  28
ILE C  34
THR C  37
LEU C 108
TYR C  66
None
1.24A18.03
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4gnk 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3
(Homo
sapiens)
5 / 12VAL B 823
THR B 842
VAL B 730
LEU B 791
ALA B 792
None
1.23A10.26
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4keg MALTOSE-BINDING
PERIPLASMIC/PALATE
LUNG AND NASAL
EPITHELIUM CLONE
FUSION PROTEIN
(Escherichia
coli;
Homo
sapiens)
5 / 12LEU A1234
ILE A1163
PHE A1252
VAL A1253
LEU A1059
None
1.21A18.15
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4p5w CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2,CALCIUM-BIND
ING MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2
(Homo
sapiens)
5 / 12ILE A 650
PHE A  99
THR A 119
VAL A 115
LEU A  45
None
1.10A19.66
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3
(Homo
sapiens)
5 / 12LEU B 685
VAL B 823
THR B 842
VAL B 730
LEU B 791
None
1.05A14.38
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5chx XRCC4-MYH7-1590-1657
(Homo
sapiens)
5 / 12LEU A  28
ILE A  34
LEU A 108
ALA A  73
TYR A  66
None
None
MLY  A  99 ( 4.5A)
MLY  A  72 ( 3.6A)
None
1.07A21.48
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5cj0 XRCC4-MYH7-(1631-169
2) CHIMERA PROTEIN
(Homo
sapiens)
5 / 12LEU A  28
ILE A  34
LEU A 108
ALA A  73
TYR A  66
None
1.11A21.40
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5cj4 XRCC4-MYH7-(1562-162
2) CHIMERA PROTEIN
(Homo
sapiens)
5 / 12LEU A  28
ILE A  34
LEU A 108
ALA A  73
TYR A  66
None
None
MLY  A  99 ( 4.8A)
MLY  A  72 ( 3.6A)
None
1.12A22.13
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens)
5 / 12LEU A 663
THR A 640
VAL A 638
ALA A 692
TYR A 657
None
1.13A16.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
6 / 12ILE A 124
PHE A 133
VAL A 152
HIS A 154
THR A 160
ALA A  86
61V  A 301 ( 4.7A)
None
None
61V  A 301 ( 4.1A)
None
None
1.00A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
9 / 12MET A  93
LEU A 105
PHE A 133
VAL A 152
HIS A 154
THR A 160
VAL A 162
LEU A 186
ALA A 185
61V  A 301 (-3.4A)
None
None
None
61V  A 301 ( 4.1A)
None
None
None
61V  A 301 ( 4.2A)
1.49A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
12 / 12MET A  93
TYR A 103
LEU A 105
ILE A 124
PHE A 133
VAL A 152
HIS A 154
THR A 160
VAL A 162
LEU A 182
ALA A 185
TYR A 206
61V  A 301 (-3.4A)
61V  A 301 ( 4.3A)
None
61V  A 301 ( 4.7A)
None
None
61V  A 301 ( 4.1A)
None
None
None
61V  A 301 ( 4.2A)
61V  A 301 (-3.6A)
0.58A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
6 / 12PHE A 133
VAL A 152
HIS A 154
THR A 160
LEU A 186
ALA A  86
None
None
61V  A 301 ( 4.1A)
None
None
None
0.95A100.00
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5ko9 EMBRYONIC STEM
CELL-SPECIFIC
5-HYDROXYMETHYLCYTOS
INE-BINDING PROTEIN
(Homo
sapiens)
5 / 12LEU A 238
ILE A 179
THR A  94
LEU A 217
ALA A 215
None
1.13A20.28
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5wj7 DNA REPAIR PROTEIN
XRCC4,MYOSIN-7
(Homo
sapiens)
5 / 12LEU A  28
ILE A  34
LEU A 108
ALA A  73
TYR A  66
None
1.22A21.99
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5wlz DNA REPAIR PROTEIN
XRCC4,MYOSIN-7
(Homo
sapiens)
5 / 12LEU C  28
ILE C  34
LEU C 108
ALA C  73
TYR C  66
None
1.18A18.80
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
1x03 SH3-CONTAINING
GRB2-LIKE PROTEIN 2
(Homo
sapiens)
4 / 6SER A  44
ASP A 148
GLN A 155
THR A  52
None
1.32A22.63
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2aex COPROPORPHYRINOGEN
III OXIDASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 6SER A 420
TYR A 392
ASP A 400
THR A 284
None
1.23A21.13
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2hck HEMATOPOETIC CELL
KINASE HCK
(Homo
sapiens)
4 / 6SER A 266
TYR A 286
GLU A 255
THR A 290
None
1.40A18.93
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2qqo NEUROPILIN-2
(Homo
sapiens)
4 / 6SER A 470
ASP A 371
GLN A 504
GLU A 370
None
1.49A19.83
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)
4 / 6SER A 333
GLN A 347
GLU A 389
THR A 496
3ES  A1611 (-4.4A)
None
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.4A)
1.41A17.79
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4wk4 INTEGRIN ALPHA-5
(Homo
sapiens)
4 / 6SER A  77
TYR A 119
GLN A  46
GLU A 147
None
1.33A18.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
6 / 6SER A 117
TYR A 120
ASP A 126
GLN A 135
GLU A 172
THR A 181
61V  A 301 (-2.9A)
None
61V  A 301 (-3.2A)
None
61V  A 301 (-2.9A)
61V  A 301 ( 4.7A)
0.56A100.00
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5vhj 26S PROTEASOME
REGULATORY SUBUNIT 8
(Homo
sapiens)
4 / 6ASP C 394
GLN C 392
GLU C 358
THR C 364
None
1.33A22.11
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1
(Homo
sapiens)
4 / 6SER A 582
ASP A 596
GLN A 603
GLU A 594
None
1.39Aundetectable
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2aw5 NADP-DEPENDENT MALIC
ENZYME
(Homo
sapiens)
5 / 12LEU A 256
SER A 275
THR A 481
VAL A 457
LEU A 307
None
1.28A17.62
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens)
5 / 12LEU A 135
SER A 127
PHE A 244
VAL A 231
LEU A 109
None
UNX  A1009 ( 4.0A)
None
None
None
1.12A21.59
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2rex PLEXIN-B1
RHO-RELATED
GTP-BINDING PROTEIN
RHO6
(Homo
sapiens;
Homo
sapiens)
5 / 12LEU A1751
ILE A1777
THR A1823
VAL B  77
LEU A1772
None
UNX  A  11 ( 4.8A)
None
None
None
1.33A20.51
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3qxl RAS-SPECIFIC GUANINE
NUCLEOTIDE-RELEASING
FACTOR RALGPS1
(Homo
sapiens)
5 / 12TYR A 249
LEU A 252
ILE A 200
HIS A 139
VAL A 101
None
1.32A22.18
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4p5w CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2,CALCIUM-BIND
ING MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2
(Homo
sapiens)
5 / 12ILE A 650
PHE A  99
THR A 119
VAL A 115
LEU A  45
None
1.26A19.66
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO
(Homo
sapiens)
5 / 12TYR A 295
LEU A 289
PHE A  69
HIS A 321
VAL A  65
AKG  A 603 (-4.6A)
None
None
None
None
1.36A17.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
7 / 12SER A 117
PHE A 133
HIS A 154
THR A 160
VAL A 162
TRP A 164
LEU A 186
61V  A 301 (-2.9A)
None
61V  A 301 ( 4.1A)
None
None
None
None
1.03A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
12 / 12TRP A  89
TYR A 103
LEU A 105
SER A 117
ILE A 124
PHE A 133
HIS A 154
THR A 160
VAL A 162
TRP A 164
THR A 181
LEU A 182
None
61V  A 301 ( 4.3A)
None
61V  A 301 (-2.9A)
61V  A 301 ( 4.7A)
None
61V  A 301 ( 4.1A)
None
None
None
61V  A 301 ( 4.7A)
None
0.63A100.00
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5u1m INSULIN RECEPTOR
SUBSTRATE 1
(Homo
sapiens)
5 / 12TRP A 164
LEU A 208
ILE A 223
VAL A 166
LEU A 254
None
1.31A17.03
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM
(Homo
sapiens)
5 / 12LEU A 445
ILE A 338
VAL A 376
THR A 358
LEU A 456
None
1.36Aundetectable
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1
(Homo
sapiens)
5 / 12LEU A 241
HIS A 338
VAL A 272
THR A 258
LEU A 257
None
None
DL1  A 601 ( 4.8A)
None
None
1.27Aundetectable
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4
(Homo
sapiens)
4 / 6TYR A 114
GLN A 190
GLU A  58
ALA A  98
None
NAP  A1001 (-4.0A)
None
None
1.26A21.52
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2is7 ALDOSE REDUCTASE
(Homo
sapiens)
4 / 6TYR A 107
GLN A 183
GLU A  51
ALA A  91
None
NAP  A 316 (-3.7A)
None
None
1.26A22.76
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2uw2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE M2
SUBUNIT
(Homo
sapiens)
4 / 6ASP A 138
GLN A 165
VAL A 141
ALA A 104
None
1.22A24.13
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2vhf UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE CYLD
(Homo
sapiens)
4 / 6TYR A 955
VAL A 616
GLU A 860
ALA A 884
None
1.16A20.16
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3mos TRANSKETOLASE
(Homo
sapiens)
4 / 6TYR A 147
ASP A 119
VAL A 120
ALA A 293
None
1.26A17.79
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2
(Homo
sapiens)
4 / 6ASP A 138
GLN A 165
VAL A 141
ALA A 104
None
FE  A 402 (-4.5A)
None
None
1.12A23.51
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4mzv EPITHELIAL CELL
ADHESION MOLECULE
(Homo
sapiens)
4 / 6ASP A 211
GLN A 175
VAL A 207
ALA A  71
None
1.17A20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
4 / 6ASP A 126
VAL A 152
GLU A 172
ALA A  86
61V  A 301 (-3.2A)
None
61V  A 301 (-2.9A)
None
1.20A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
6 / 6TYR A 120
ASP A 126
GLN A 135
VAL A 152
GLU A 172
ALA A 185
None
61V  A 301 (-3.2A)
None
None
61V  A 301 (-2.9A)
61V  A 301 ( 4.2A)
0.36A100.00
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5jho ELECTRONEUTRAL
SODIUM BICARBONATE
EXCHANGER 1
(Homo
sapiens)
4 / 6ASP A 328
GLN A  47
VAL A 319
GLU A 325
None
1.06A21.97
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10
(Homo
sapiens)
4 / 6TYR X 108
GLN X 184
GLU X  52
ALA X  92
None
NAP  X 401 (-3.8A)
None
None
1.20A20.37
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)
4 / 6ASP A 488
VAL A 489
GLU A 470
ALA A 416
None
1.23Aundetectable
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)
4 / 6ASP C2964
GLN C3291
GLU C2960
ALA C3255
None
1.18A4.45
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3
(Homo
sapiens)
4 / 6TYR A 114
GLN A 190
GLU A  58
ALA A  98
None
NAP  A 401 (-3.8A)
None
None
1.24Aundetectable
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2coc FYVE, RHOGEF AND PH
DOMAIN CONTAINING
PROTEIN 3
(Homo
sapiens)
5 / 12ALA A  28
SER A 111
THR A 100
LEU A 101
ALA A 104
None
1.11A21.27
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
2vcy TRANS-2-ENOYL-COA
REDUCTASE
(Homo
sapiens)
5 / 12ALA A 206
LEU A 340
VAL A 152
LEU A 175
ALA A 171
None
1.07A22.05
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3a77 INTERFERON
REGULATORY FACTOR 3
(Homo
sapiens)
5 / 12ALA A 283
LEU A 281
SER A 396
VAL A 197
LEU A 226
None
1.06A25.63
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4hxq ARGINASE-1
(Homo
sapiens)
6 / 12ALA A  34
LEU A  37
SER A  94
VAL A  87
THR A 300
LEU A 301
None
1.33A21.81
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4l27 CYSTATHIONINE
BETA-SYNTHASE
(Homo
sapiens)
5 / 12ALA B 158
LEU B 154
VAL B 314
LEU B 136
TYR B 163
None
None
HEM  B 602 (-4.1A)
None
None
1.12A18.37
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5gve DNA TOPOISOMERASE
3-BETA-1
(Homo
sapiens)
5 / 12LEU A 301
HIS A 387
LEU A 328
ALA A 325
TYR A 409
None
1.09A16.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
9 / 12ALA A  98
SER A 117
PHE A 133
VAL A 152
HIS A 154
VAL A 162
THR A 181
LEU A 182
TYR A 206
61V  A 301 ( 4.8A)
61V  A 301 (-2.9A)
None
None
61V  A 301 ( 4.1A)
None
61V  A 301 ( 4.7A)
None
61V  A 301 (-3.6A)
0.84A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
11 / 12MET A  93
ALA A  98
LEU A 105
SER A 117
PHE A 133
VAL A 152
HIS A 154
VAL A 162
THR A 181
ALA A 185
TYR A 206
61V  A 301 (-3.4A)
61V  A 301 ( 4.8A)
None
61V  A 301 (-2.9A)
None
None
61V  A 301 ( 4.1A)
None
61V  A 301 ( 4.7A)
61V  A 301 ( 4.2A)
61V  A 301 (-3.6A)
0.51A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
9 / 12MET A  93
ALA A  98
LEU A 105
SER A 117
VAL A 153
HIS A 154
THR A 181
ALA A 185
TYR A 206
61V  A 301 (-3.4A)
61V  A 301 ( 4.8A)
None
61V  A 301 (-2.9A)
None
61V  A 301 ( 4.1A)
61V  A 301 ( 4.7A)
61V  A 301 ( 4.2A)
61V  A 301 (-3.6A)
1.45A100.00
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)
5 / 12ALA A3512
THR A3153
LEU A3154
ALA A3157
TYR A3516
None
1.07A3.89
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
3ctt MALTASE-GLUCOAMYLASE
(Homo
sapiens)
4 / 6LEU A  87
TYR A 263
GLN A 117
GLU A  90
None
1.25A14.96
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1
(Homo
sapiens)
4 / 6LEU A 326
TYR A 194
ASP A 254
GLU A 280
None
None
MG  A1445 (-2.6A)
MG  A1445 (-3.0A)
1.48A18.90
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG
(Escherichia
coli;
Homo
sapiens)
4 / 6LEU A 464
TYR A 385
ASP A 522
GLN A 526
None
1.41A16.47
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens)
4 / 6LEU A 376
TYR A 513
ASP A 451
GLN A 445
None
1.50A20.00
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE
(Homo
sapiens)
4 / 6TRP A 141
LEU A 128
GLN A 148
GLU A 126
None
1.41A21.80
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA
(Homo
sapiens)
4 / 6LEU A 329
TYR A 319
ASP A 273
GLU A 276
None
1.24A21.68
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
4mh0 RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4
RAS-RELATED PROTEIN
RAP-1B
(Mus
musculus;
Homo
sapiens)
4 / 6LEU E 893
ASP R  38
GLN R  43
GLU R  37
None
1.25A14.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1
(Homo
sapiens)
6 / 6TRP A  89
LEU A  95
TYR A 120
ASP A 126
GLN A 135
GLU A 172
None
None
None
61V  A 301 (-3.2A)
None
61V  A 301 (-2.9A)
0.34A100.00
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
5ogs WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1
(Homo
sapiens)
4 / 6LEU A 440
ASP A 534
GLN A 531
GLU A 502
None
1.49A19.01