Ligand ID: DGX


Drugbank ID:
DB00390
(Digoxin)


Indication:
For the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'DGX' 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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 205
LEU A  -2
PHE A 219
LEU A 220
ARG A 217
1.55A13.77
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN A1161
ASP A 932
GLY B 928
ALA B 926
ARG B1166
1.21A10.71
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN A1161
ASP A 932
GLY B 928
ALA B 926
ARG B1166
1.21A10.71
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		5 / 12
LEU B  65
LEU A 179
GLY A 239
ALA A 236
PHE A 241
1.59A8.42
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		5 / 12
GLN A  32
LEU B  65
GLY A 239
ALA A 236
PHE A 241
1.46A14.30
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		5 / 12
GLN A  32
LEU B  65
GLY A 239
ALA A 236
PHE A 241
1.46A14.30
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2a5i 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
GLN A 127
ALA A 129
VAL A 296
LEU A 268
LEU A 242
1.51A20.98
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
LEU B 305
ALA B 234
ALA B 209
LEU C 351
LEU C 354
1.21A21.92
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
LEU C 291
ALA C 306
ALA C 294
VAL C 278
LEU C 265
1.63A21.92
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		3 / 3
TRP C  34
VAL C  71
ARG C  75
1.65A20.00
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
ALA F 115
ALA F 155
VAL B  58
LEU B  22
LEU B  33
1.47A22.57
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		2cme -
(-)		3 / 3
LEU E  49
VAL E   9
ARG E  48
1.68A14.23
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
GLN B 120
LEU B 123
ALA A 160
MET B  34
VAL B   4
1.62A22.18
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
LEU C 110
ALA C 125
ALA C 113
VAL C  97
LEU C  84
1.65A22.18
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN B 238
LEU B 217
ALA B 182
MET B 207
LEU B 173
1.66A20.13
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B 235
LEU B 217
ALA B 182
MET B 207
LEU B 121
1.40A20.13
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
LEU C 200
VAL C 236
ARG C 184
1.54A20.13
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2fyg REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A  98
GLU A  66
PHE A  68
GLY A  70
ALA A  71
1.49A9.11
None
None
GOL  A 301 (-4.7A)
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
GLN S  98
GLU S  66
PHE S  68
GLY S  70
ALA S  71
1.40A9.86
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
GLN B  39
GLU B  46
GLY B 233
ALA B 141
GLU B 237
1.40A12.98
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		5 / 12
GLN B  39
GLU B  46
GLY B 233
ALA B 141
GLU B 237
1.40A12.98
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 127
ALA A 129
VAL A 296
LEU A 268
LEU A 242
1.39A20.83
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
GLN A 187
GLY A 140
ALA A 137
PHE A 134
LEU A 151
1.43A15.96
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
GLN A 187
GLY A 140
ALA A 137
PHE A 134
LEU A 151
1.43A15.96
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		5 / 12
GLN A 299
VAL A 212
PHE A 219
LEU A 271
LEU A 268
1.62A20.09
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLN A 187
GLY A 140
ALA A 137
PHE A 134
LEU A 151
1.50A16.41
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU A  72
LEU A 122
ALA A  80
VAL A  84
LEU A  49
1.63A22.89
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU D 331
VAL D 236
PHE D 213
LEU D 214
LEU D 216
1.56A22.89
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
LEU C 189
GLU C 145
PHE C 176
GLY C 156
LEU C 122
1.44A16.41
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ASP B 187
LEU D   5
GLU B 178
GLY B 174
ALA B 173
1.56A14.02
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLN D 187
GLY D 140
ALA D 137
PHE D 134
LEU D 151
1.43A16.29
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
GLN D 187
GLY D 140
ALA D 137
PHE D 134
LEU D 151
1.43A16.29
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
CYH B 300
ALA A 116
ALA B   7
PHE B 291
LEU B 282
1.66A20.92
None
None
DMS  B1302 (-3.7A)
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 161
LEU A 111
ALA A 168
LEU A  89
ARG A  86
1.46A13.93
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 244
ALA A  34
MET A  42
ALA A  45
LEU A  27
1.50A21.19
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 280
ALA A 162
ALA A  60
VAL A  61
LEU A  95
1.63A21.19
None
None
NA  A1295 (-3.7A)
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2xyq NSP10
(SARSr-CoV)		5 / 12
GLN B  98
GLU B  66
PHE B  68
GLY B  70
ALA B  71
1.46A8.30
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 161
LEU A 111
ALA A 168
LEU A  89
ARG A  86
1.46A13.93
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 4
ASN A  29
VAL A 194
THR A 172
ILE A 171
1.78A13.90
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 280
ALA A 162
ALA A  60
VAL A  61
LEU A  95
1.60A21.17
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		2xyv NSP10
(SARSr-CoV)		5 / 12
GLN B  98
GLU B  66
PHE B  68
GLY B  70
ALA B  71
1.47A8.20
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 244
ALA A  34
MET A  42
ALA A  45
LEU A  27
1.38A21.17
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 127
ALA B 129
VAL B 296
LEU B 268
LEU B 242
1.43A20.98
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LEU A 141
VAL B 296
ARG B 298
1.47A20.98
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3bgf F26G19 FAB
(Mus
musculus)		4 / 4
ASN B 198
VAL B 121
THR B 196
ILE B 212
1.71A12.64
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
GLN C  37
LEU C  47
LEU C  73
ALA C  84
VAL C  19
1.38A20.08
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
TRP B 594
VAL B 447
ARG B 518
1.80A18.12
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLN B 522
LEU B 585
GLU B 402
GLU B 232
ARG B 273
1.55A20.10
None
None
ZN  B 901 (-2.8A)
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 418
ALA B 413
PHE B 588
LEU B 236
LEU B 450
1.53A18.12
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
LEU B 179
VAL B 185
ARG B 115
1.57A18.12
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3e9s NSP3
(SARSr-CoV)		5 / 12
LEU A 124
ALA A 120
VAL A 117
LEU A 163
HIS A 273
1.56A20.31
None
None
None
OCS  A 112 ( 4.2A)
OCS  A 112 ( 3.6A)
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
LEU C 220
VAL A 261
ARG A 222
1.65A18.39
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASP A 295
GLY A 138
ALA A 139
GLU A 288
PHE A 140
1.39A14.73
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASP A 295
GLY A 138
ALA A 139
GLU A 288
PHE A 140
1.39A14.73
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 115
ALA B   7
VAL A 125
PHE A 150
CYH A 160
1.66A20.77
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 115
ALA B   7
VAL A 125
PHE A 150
CYH A 160
1.62A20.85
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3i6g BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		5 / 12
GLN D  32
LEU E  65
GLY D 239
ALA D 236
PHE D 241
1.26A13.15
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3i6g HLA, A-2
(Homo
sapiens)		3 / 3
LEU A 130
VAL A 103
ARG A 111
1.38A21.60
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3i6g HLA, A-2
(Homo
sapiens)		3 / 3
TRP A 244
VAL A 249
ARG A 256
1.60A21.60
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3i6g BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		5 / 12
GLN D  32
LEU E  65
GLY D 239
ALA D 236
PHE D 241
1.25A13.15
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		5 / 12
LEU F  65
LEU E 179
GLY E 239
ALA E 236
PHE E 241
1.52A7.92
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		5 / 12
GLN D  32
LEU E  65
GLY D 239
ALA D 236
PHE D 241
1.43A14.71
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		5 / 12
GLN D  32
LEU E  65
GLY D 239
ALA D 236
PHE D 241
1.44A14.71
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
CYH C 300
ALA B 116
ALA A   7
PHE A   3
HIS B 172
1.58A20.98
None
None
None
None
PJE  F   5 ( 4.6A)
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LEU B  86
VAL B  91
ARG B  88
1.09A20.98
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 244
ALA A  34
MET A  42
ALA A  45
LEU A  27
1.46A21.97
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3r24 NSP10 AND NSP11
(SARSr-CoV)		5 / 12
GLN B  98
GLU B  66
PHE B  68
GLY B  70
ALA B  71
1.49A10.18
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
LEU A 280
ALA A 162
ALA A  60
VAL A  61
LEU A  95
1.63A21.97
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3sci ACE2
(Homo
sapiens)		5 / 12
LEU B 418
ALA B 413
PHE B 588
LEU B 236
LEU B 450
1.55A17.64
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3scj ACE2
(Homo
sapiens)		5 / 12
GLN A 442
LEU A 444
ALA A 403
PHE A 523
LEU A 539
1.50A19.71
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
LEU A 503
VAL A 172
ARG A 169
1.71A18.12
None
None
CL  A 902 ( 4.6A)
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 418
ALA B 413
PHE B 588
LEU B 236
LEU B 450
1.60A18.12
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLN A 442
LEU A 444
ALA A 403
PHE A 523
LEU A 539
1.49A20.10
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
TRP B 594
VAL B 447
ARG B 518
1.56A18.12
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLN A 442
LEU A 444
ALA A 403
PHE A 523
LEU A 539
1.49A20.10
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3vb6 3C-LIKE PROTEINASE
C6Z INHIBITOR
(SARSr-CoV)		5 / 12
ASP A 187
LEU E   6
GLU A 178
GLY A 174
ALA A 173
1.47A13.85
None
0JU  E   7 ( 4.3A)
None
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		3vb6 3C-LIKE PROTEINASE
C6Z INHIBITOR
(SARSr-CoV)		5 / 12
ASP A 187
LEU E   6
GLU A 178
GLY A 174
ALA A 173
1.47A13.85
None
0JU  E   7 ( 4.3A)
None
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 235
LEU A 217
ALA A 182
MET A 207
LEU A 121
1.41A19.94
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
GLN A 238
LEU A 217
ALA A 182
MET A 207
LEU A 173
1.66A19.94
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASP B 303
LEU B 212
GLY B 210
LEU A  73
ARG A  42
1.28A15.64
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASP B 303
LEU B 212
GLY B 210
LEU A  73
ARG A  42
1.28A15.64
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 12
LEU B 124
ALA B 120
VAL B 117
LEU B 163
HIS B 273
1.49A20.13
None
None
None
P85  B 902 (-4.1A)
OCS  B 112 ( 4.1A)
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 329
LEU B 321
CYH B 399
ALA B 320
VAL B 316
1.15A19.27
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLU B  92
ASP B  90
LEU B 185
LEU B 105
GLY B 189
1.39A19.79
None
MG  B 604 (-3.2A)
None
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU D 185
GLY D 110
ALA D 274
PHE D 111
LEU D 170
1.48A19.79
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
LEU D 411
VAL D 182
ARG D 278
0.99A19.27
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 321
CYH B 399
ALA B 396
ALA B 320
VAL B 316
1.30A19.27
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
LEU D 411
VAL D 182
ARG D 278
0.85A19.27
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
GLU B  92
ASP B  90
LEU B 185
LEU B 105
GLY B 189
1.35A19.62
None
MG  B 604 (-2.9A)
None
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 329
LEU B 321
CYH B 399
ALA B 320
VAL B 316
1.25A19.27
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5c8u NSP10
(SARSr-CoV)		5 / 12
GLN A  98
GLU A  66
PHE A  68
GLY A  70
ALA A  71
1.33A10.67
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 185
GLY B 110
ALA B 274
PHE B 111
LEU B 170
1.48A19.62
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
LEU B 321
CYH B 399
ALA B 396
ALA B 320
VAL B 316
1.26A19.27
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
LEU D 200
VAL D 236
ARG D 184
1.49A19.63
5MW  E  48 ( 3.9A)
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5f22 NSP8
NSP7
(SARSr-CoV)		5 / 12
ALA B 115
ALA B 155
VAL A  58
LEU A  22
LEU A  33
1.57A17.62
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU B 185
GLY B 110
ALA B 274
PHE B 111
LEU B 170
1.44A19.73
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU C 329
LEU C 321
CYH C 399
ALA C 320
VAL C 316
1.18A19.27
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU A 321
CYH A 399
ALA A 396
ALA A 320
VAL A 316
1.28A19.27
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
LEU B 411
VAL B 182
ARG B 278
1.00A19.27
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
LEU B 185
GLY B 110
ALA B 274
PHE B 111
LEU B 170
1.44A19.73
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
GLN M  98
GLU M  66
PHE M  68
GLY M  70
ALA M  71
1.50A8.90
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASP D 303
LEU D 212
GLY D 210
LEU C 154
ARG C 153
1.20A15.93
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		5 / 12
ASP D 303
LEU D 212
GLY D 210
LEU C 154
ARG C 153
1.20A15.93
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5tl7 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus;
SARSr-CoV)		3 / 3
LEU A 152
VAL B 304
ARG B 167
1.60A18.01
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU A 846
VAL A 763
ARG A 761
1.73A11.42
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU A 972
GLY A 953
ALA A 954
GLU B 972
LEU A 966
1.31A20.61
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		3 / 3
LEU C  65
VAL D  25
ARG C  61
1.42A14.94
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		5 / 12
LEU B  18
LEU A  19
ALA C  22
ALA B  22
PHE E  26
1.64A14.94
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
ASN A  78
VAL A  25
THR A  71
ILE A  72
1.36A13.86
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 4
ASN A  78
VAL A  25
THR A  71
ILE A  72
1.42A21.53
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLN C 993
LEU C 749
LEU C 745
PHE A 741
CYH A 720
1.54A11.02
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLN A 786
TRP A 868
ALA A 912
PHE A 888
HIS A1030
1.62A11.02
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		3 / 3
LEU B 448
VAL B 337
ARG B 441
1.72A11.02
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
ALA A 998
ALA A1004
PHE A1126
LEU A 952
LEU A 874
1.67A10.03
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
LEU C 507
VAL C 555
ARG C 505
1.52A10.03
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		5x5f S PROTEIN
(MERS-CoV)		4 / 4
ASN A1132
VAL A1022
THR A 797
ILE A 795
1.54A23.04
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 355
ALA C 350
ALA C 371
VAL C 369
LEU C 504
1.40A11.42
LEU  C 355 ( 0.5A)
ALA  C 350 ( 0.0A)
ALA  C 371 ( 0.0A)
VAL  C 369 ( 0.6A)
LEU  C 504 ( 0.6A)
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 930
ALA A1004
MET A 713
VAL A 933
LEU A 994
1.57A11.42
LEU  A 930 ( 0.6A)
ALA  A1004 ( 0.0A)
MET  A 713 ( 0.0A)
VAL  A 933 ( 0.6A)
LEU  A 994 ( 0.6A)
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 355
ALA C 350
ALA C 371
VAL C 369
LEU C 504
1.33A11.42
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 930
ALA B1004
MET B 713
VAL B 933
LEU B 994
1.52A11.42
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6acg ACE2
(Homo
sapiens)		3 / 3
LEU D 179
VAL D 185
ARG D 115
1.58A17.64
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLU C1013
ASP A1023
LEU C 859
GLY C 873
ARG C 887
1.31A20.69
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6acj ACE2
(Homo
sapiens)		3 / 3
TRP D 606
VAL D 226
ARG D 204
1.39A17.64
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.
1IGJ_D_DGXD228_1
(IGG2A-KAPPA 26-10
FAB (LIGHT CHAIN)
IGG2A-KAPPA 26-10
FAB (HEAVY CHAIN))		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
THR B 425
PRO B 493
TYR B 438
ASN B 435
TYR B 481
1.72A11.01
11.02
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU A 847
VAL A 767
ARG A 761
1.67A11.42
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU C 876
ALA C 872
VAL B 893
PHE B 888
HIS B1030
1.66A11.02
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
TRP A 245
VAL A  98
ARG A 183
1.69A10.29
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 959
LEU B 840
ALA B 732
GLU B 730
LEU B 983
1.34A20.91
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
LEU C 478
VAL C 404
ARG C 441
1.21A10.29
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU B 959
LEU B 840
ALA B 732
GLU B 730
LEU B 983
1.34A20.91
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 930
ALA A1004
MET A 713
VAL A 933
LEU A 994
1.42A10.29
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6cs2 ACE2
(Homo
sapiens)		3 / 3
LEU D 503
VAL D 172
ARG D 169
1.73A17.20
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
ASN A  78
VAL A  25
THR A  71
ILE A  72
1.44A20.91
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU A 930
ALA A1004
MET A 713
VAL A 933
LEU A 994
1.47A10.29
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		3 / 3
TRP A  51
VAL A 103
ARG A 108
1.13A20.63
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 12
GLN A 115
LEU A 130
GLY A 100
GLU A 161
LEU C   8
1.54A13.31
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6jyt HELICASE
(SARSr-CoV)		5 / 12
GLN A 404
GLU A 375
LEU A 280
GLY A 287
LEU A 317
1.48A21.57
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6m17 ACE2
SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
LEU D 760
VAL C 457
ARG C 214
1.37A16.07
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
LEU A  11
VAL A 103
ARG A  14
1.43A17.50
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU A 114
MET A 502
PHE A 276
LEU A  77
LEU A  80
1.55A17.50
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C 398
LEU C 244
ALA C 392
GLU C 394
LEU C 254
1.43A21.31
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6m1d ACE2
(Homo
sapiens)		5 / 12
GLN B 526
LEU B 529
ALA B 550
VAL B 318
LEU B 418
1.60A16.07
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.
1IGJ_D_DGXD228_1
(IGG2A-KAPPA 26-10
FAB (LIGHT CHAIN)
IGG2A-KAPPA 26-10
FAB (HEAVY CHAIN))		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
TYR A 480
TYR A 578
TYR A 560
SER A 483
TRP A 481
1.70A15.45
17.85
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.
1IGJ_B_DGXB228_1
(IGG2A-KAPPA 26-10
FAB (LIGHT CHAIN)
IGG2A-KAPPA 26-10
FAB (HEAVY CHAIN))		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
TYR A 480
TYR A 578
TYR A 560
SER A 483
TRP A 481
1.75A15.45
17.85
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU C 398
LEU C 244
ALA C 392
GLU C 394
LEU C 254
1.44A21.31
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6m1d ACE2
(Homo
sapiens)		5 / 12
GLN B 526
ALA B 550
VAL B 318
PHE B 314
LEU B 418
1.67A16.07
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 959
LEU B 840
ALA B 732
GLU B 730
LEU B 983
1.57A21.65
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU A 930
ALA A1004
MET A 713
VAL A 933
LEU A 994
1.58A10.98
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN L 171
GLU L 110
LEU L  15
ALA L 149
GLU L 166
1.57A11.57
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6nur NSP7
NSP8
(SARSr-CoV)		5 / 12
ALA D 110
ALA D 150
VAL C  53
LEU C  17
LEU C  28
1.56A22.96
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6nur NSP12
NSP7
NSP8
(SARSr-CoV)		5 / 12
LEU D  95
LEU D  91
VAL C  11
PHE A 440
LEU A 838
1.52A22.96
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.
4RET_A_DGXA1107_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6nur NSP12
NSP8
(SARSr-CoV)		4 / 4
ASN B 100
VAL A 341
THR B 123
ILE B 119
1.73A12.26
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6nur NSP12
(SARSr-CoV)		3 / 3
LEU A 282
VAL A 190
ARG A 285
1.52A13.92
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 251
CYH A 151
ALA A 250
VAL A 182
LEU A 142
1.61A13.92
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 251
CYH A 151
ALA A 250
VAL A 182
LEU A 142
1.59A13.92
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6vw1 ACE2
(Homo
sapiens)		5 / 12
LEU B 418
ALA B 413
PHE B 588
LEU B 236
LEU B 450
1.57A17.64
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		6vw1 ACE2
(Homo
sapiens)		3 / 3
TRP B 594
VAL B 447
ARG B 518
1.59A17.64
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
LEU H  45
GLU H  46
PHE H  63
GLY H  49
GLU H  56
1.78A11.30
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L  78
PHE L  62
GLY L  64
ALA L  51
LEU L  46
1.74A10.26
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN C  43
ASP C  88
LEU C  52
GLU C  61
GLY H  26
1.70A
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN C   6
LEU C   4
PHE C 104
GLY B  44
GLU C 171
1.64A
None
None
None
1PE  C 301 ( 4.4A)
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
LEU H  45
GLU H  46
PHE H  64
GLY H  49
GLU H  57
1.78A
None
None
None
None
MLI  E 908 ( 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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU H   4
MET H 106
ALA H  97
VAL H  37
LEU L   4
1.69A
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN L  43
ASP L  88
LEU L  52
GLU L  61
GLY B  26
1.68A
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
LEU B  45
GLU B  46
PHE B  64
GLY B  49
GLU B  57
1.77A
None
None
None
None
MLI  B 302 (-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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN C  43
ASP C  88
LEU C  52
GLU C  61
GLY H  26
1.70A
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN L  43
ASP L  88
LEU L  52
GLU L  61
GLY B  26
1.68A
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU C  84
PHE C  68
GLY C  70
ALA C  57
LEU C  52
1.69A
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
LEU H  45
GLU H  46
PHE H  64
GLY H  49
GLU H  57
1.79A
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU H   4
MET H 106
ALA H  97
VAL H  37
LEU L   4
1.74A
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
LEU H   4
MET H 106
ALA H  97
VAL H  37
LEU L   4
1.68A
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU H   4
MET H 106
ALA H  97
VAL H  37
LEU L   4
1.68A
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
LEU H  45
GLU H  46
PHE H  64
GLY H  49
GLU H  57
1.78A
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
LEU B  45
GLU B  46
PHE B  64
GLY B  49
GLU B  57
1.79A
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
LEU B   4
MET B 106
ALA B  97
VAL B  37
LEU C   4
1.68A
None