Ligand ID: GM4


Drugbank ID:
DB00652
(Pentazocine)


Indication:
For the relief of moderate to severe pain.

Get human targets for GM4 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GM4' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first 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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		1uw7 NSP9
(SARS-COV
HKU-39849)		5 / 11
VAL A 110
ALA A 108
TYR A  31
LEU A  45
ALA A 107
1.64A21.49
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		1uw7 NSP9
(SARS-COV
HKU-39849)		5 / 11
VAL A 110
ALA A 108
TYR A  31
LEU A  45
ALA A 107
1.53A21.49
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		1uw7 NSP9
(SARS-COV
HKU-39849)		5 / 11
VAL A 110
ALA A 108
TYR A  31
LEU A  45
ALA A 107
1.57A21.49
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 11
VAL D  58
ALA H 155
LEU D  40
ASP G  69
THR H 128
1.72A18.14
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2ajf ACE2
(Homo
sapiens)		5 / 11
VAL A 488
TYR A 158
ASP A 615
TRP A 610
ALA A 264
1.66A17.85
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2ajf ACE2
(Homo
sapiens)		5 / 11
VAL A 488
TYR A 158
ASP A 615
TRP A 610
ALA A 264
1.78A17.85
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 11
VAL B  37
ALA B 125
LEU B  83
ASP A 158
LEU B 128
1.73A18.60
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
VAL B 301
ALA B 250
TYR B 306
THR B 211
ALA B 247
1.53A18.63
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL E 328
ALA E 384
TYR E 352
LEU E 355
TRP E 423
1.69A19.41
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL E 328
ALA E 384
TYR E 352
LEU E 355
TRP E 423
1.64A19.41
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2ghv SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL E 328
ALA E 384
TYR E 352
LEU E 355
TRP E 423
1.66A19.41
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2idy NSP3
(SARSr-CoV)		5 / 11
VAL A  58
ALA A  59
ASP A  33
THR A  65
ALA A  61
1.66A16.74
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
VAL C  84
TRP C  86
LEU C  49
GLU C  44
ALA C  94
1.76A18.80
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3bgf F26G19 FAB
(Mus
musculus)		5 / 11
TRP L  96
LEU H   4
ASP H 101
ALA H  50
LEU H  69
1.54A21.25
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
VAL B 488
TYR B 158
ASP B 615
TRP B 610
ALA B 264
1.69A17.85
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
VAL A 132
ALA A 164
TRP A 163
GLU A 140
LEU A 144
1.69A17.85
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3e9s NSP3
(SARSr-CoV)		5 / 11
VAL A 301
ALA A 250
TYR A 306
THR A 211
ALA A 247
1.49A18.71
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ALA A 285
ASP A 289
TRP A 207
THR B 280
ALA B 285
1.78A19.68
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
ALA B   8
TYR A  31
LEU A   9
THR A 109
ALA A 108
1.58A19.82
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3i6g HLA, A-2
(Homo
sapiens)		5 / 11
ALA D 135
TYR D  85
ASP D  77
TRP D 147
ALA D 136
1.80A23.10
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3i6k HLA, A-2
(Homo
sapiens)		5 / 11
VAL E 152
ALA E 150
TYR E 123
ASP E  77
THR E 142
1.74A23.10
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ALA A 285
ASP A 289
TRP A 207
ALA B 286
LEU B 287
1.67A20.19
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
VAL B 573
TYR B 381
LEU B 558
ALA B 569
LEU B 570
1.76A17.85
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
VAL A 301
ALA A 250
TYR A 306
THR A 211
ALA A 247
1.58A19.27
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 11
VAL A 301
ALA A 250
TYR A 306
THR A 211
ALA A 247
1.46A18.63
None
None
None
None
P85  B 902 ( 4.7A)
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 11
VAL A  13
TYR A  72
LEU A  71
TYR A  84
ASP A 147
1.79A18.58
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 11
VAL A  90
ALA A  89
TYR A 112
LEU A 113
THR A 159
1.70A18.58
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 11
VAL C  42
ALA C  71
LEU D  27
GLU C   6
ALA D  23
1.63A22.84
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 11
VAL C  42
ALA C  71
LEU D  27
GLU C   6
ALA D  23
1.64A22.84
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 11
VAL C  42
ALA C  71
LEU D  27
GLU C   6
ALA D  23
1.70A22.84
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
VAL A 301
ALA A 250
TYR A 306
THR A 211
ALA A 247
1.44A17.85
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
VAL B 301
ALA B 250
TYR B 306
THR B 211
ALA B 247
1.47A18.71
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		5 / 11
VAL A  47
ALA A  43
LEU A  27
THR A  35
ALA A  40
1.67A17.59
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5x5f S PROTEIN
(MERS-CoV)		5 / 11
ALA A 431
TYR A 438
LEU A 441
ALA A 432
LEU B1058
1.80A9.95
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
VAL A 301
ALA A 250
TYR A 306
THR A 211
ALA A 247
1.50A17.99
None
None
GOL  A 407 (-4.8A)
None
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL A  40
ALA A 275
TYR A 266
ASP A  44
THR A 271
1.70A10.99
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL C 510
TYR C 356
LEU C 374
ASP C 376
ALA C 350
1.57A10.99
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6ack ACE2
(Homo
sapiens)		5 / 11
VAL D 447
TYR D 243
LEU D 595
TYR D 279
THR D 282
1.60A17.85
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL C  25
ALA C  27
TYR C 252
LEU C 235
TYR C  30
1.47A9.94
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL B  25
ALA B  27
TYR B 252
LEU B 235
TYR B  30
1.51A9.94
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL C  25
ALA C  27
TYR C 252
LEU C 235
TYR C  30
1.53A9.94
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL C  25
TYR C 252
LEU C 235
TYR C  30
ALA C  27
1.71A10.91
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL B  25
ALA B  27
TYR B 252
LEU B 235
TYR B  30
1.49A10.91
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL B  25
ALA B  27
TYR B 252
LEU B 235
TYR B  30
1.50A10.91
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 11
ALA A 125
TYR A  74
LEU A  95
TRP B  60
LEU A 147
1.68A24.21
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6m0j ACE2
(Homo
sapiens)		5 / 11
VAL A 488
TYR A 158
ASP A 615
TRP A 610
ALA A 264
1.73A17.85
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6m0j ACE2
(Homo
sapiens)		5 / 11
VAL A 132
ALA A 164
TRP A 163
GLU A 140
LEU A 144
1.68A17.85
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6m1d ACE2
(Homo
sapiens)		5 / 11
ALA D 714
TYR B 633
LEU B 628
TYR D 649
ALA B 714
1.53A14.73
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6m1d ACE2
(Homo
sapiens)		5 / 11
ALA D 714
TYR B 633
LEU B 628
TYR D 649
ALA B 714
1.57A14.73
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6m1d ACE2
(Homo
sapiens)		5 / 11
ALA D 714
TYR B 633
LEU B 628
TYR D 649
ALA B 714
1.56A14.73
None
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.
6DK1_B_GM4B301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6nur NSP12
(SARSr-CoV)		5 / 11
ALA A 772
TYR A 748
LEU A 707
ASP A 717
ALA A 771
1.70A12.84
None
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.
6DK1_A_GM4A301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6nus NSP12
(SARSr-CoV)		5 / 11
VAL A 182
ALA A 250
MET A 124
TYR A 237
LEU A 207
1.75A12.84
None
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 11
ALA H  88
TYR H 180
LEU H 174
THR H 116
ALA H 118
1.54A19.11
None
None
MLI  H 304 (-4.8A)
None
MLI  H 301 ( 4.4A)
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 11
ALA H  88
TYR H 180
LEU H 174
THR H 116
ALA H 118
1.50A19.18
None