Ligand ID: KKK


Drugbank ID:
DB01026
(Ketoconazole)


Indication:
For the treatment of the following systemic fungal infections: candidiasis, chronic mucocutaneous candidiasis, oral thrush, candiduria, blastomycosis, coccidioidomycosis, histoplasmosis, chromomycosis, and paracoccidioidomycosis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'KKK' AND SARS-COV-2 / COVID-19 STRUCTURES

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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A  19
LEU A  30
LEU A 177
PRO A 122
1.55A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 107
GLN A 110
ALA A 129
PRO A 132
1.70A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ILE A 281
ALA A 210
LEU A 208
LEU A 220
1.64A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 206
LEU A 208
LEU A 272
PRO A 293
1.50A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 239
ALA A 206
LEU A 286
PRO A 293
1.73A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 273
ALA A 234
LEU A 242
LEU A 250
1.62A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ILE A 249
ALA A 206
LEU A 250
LEU A 242
1.52A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.44A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.50A15.61
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.70A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 256
ALA A 206
LEU A 205
LEU A 242
1.66A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 206
LEU A 208
LEU A 220
PRO A 293
1.78A15.61
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.74A15.61
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A   3
PHE A 150
ALA A 210
ALA A 206
ILE A 106
1.72A17.00
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ILE A 213
GLN A 256
LEU A 220
PRO A 252
1.78A15.61
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 8
ILE D 934
GLN D 935
ALA D1190
LEU D 938
LEU F 938
1.78A18.14
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 12
PHE E 970
ALA D 956
LEU F 959
ILE E1172
LEU E 962
1.39A15.88
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.78A20.14
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.50A18.75
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
GLN A  69
LEU A  89
HIS A 164
LEU A  58
GLY A 120
1.73A20.14
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.45A20.14
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.45A20.14
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.46A20.14
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A  19
LEU A  30
LEU A 177
PRO A 122
1.51A20.14
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.45A20.14
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 256
ALA A 206
LEU A 205
LEU A 227
1.50A20.14
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.75A20.14
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
GLN A  69
LEU A  89
HIS A 164
LEU A  58
GLY A 120
1.71A20.14
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN D 299
ALA D 206
LEU D 208
LEU D 220
1.45A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.47A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN C 192
ALA C 194
HIS C 163
GLY C 183
PRO C 184
1.78A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN B 299
ALA B 206
LEU B 208
LEU B 220
1.47A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.74A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS C 246
ALA C 206
LEU C 208
LEU C 271
GLY C 109
1.69A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN D  69
LEU D  89
HIS D 164
LEU D  58
GLY D 120
1.76A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 206
LEU A 208
LEU A 272
PRO A 293
1.51A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ALA C 206
LEU C 208
LEU C 272
PRO C 293
1.50A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS B 246
ALA B 206
LEU B 208
LEU B 271
GLY B 109
1.72A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN D 299
ALA D 211
LEU D 208
LEU D 287
1.46A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.71A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN B 299
ALA B 211
LEU B 208
LEU B 287
1.50A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN C 299
ALA C 211
LEU C 208
LEU C 287
1.47A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
HIS D 246
ALA D 206
LEU D 208
LEU D 271
GLY D 109
1.67A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.48A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN B 192
ALA B 194
HIS B 163
GLY B 183
PRO B 184
1.67A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN C 299
ALA C 206
LEU C 208
LEU C 220
1.42A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.41A19.53
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.67A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.45A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLN A 698
ALA A 634
LEU A 636
LEU A 351
1.38A17.30
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ALA A 706
LEU A 708
LEU A 240
1.47A17.30
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
PHE A 157
ALA A 625
THR A 246
LEU A 247
1.72A19.17
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
PHE A 528
ALA A 656
ALA A 660
THR A 538
ILE A 562
1.75A19.17
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ALA A 625
THR A 246
LEU A 247
LEU A 172
1.53A19.17
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLN A 184
ALA A 185
LEU A 186
LEU A 251
1.31A17.30
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ILE A 333
ALA A 379
HIS A 355
ILE A 539
PRO A 537
1.78A17.30
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ALA A 125
LEU A 127
LEU A 178
1.34A17.30
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ALA A 130
LEU A 131
LEU A 178
1.29A17.30
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
PHE A 321
ALA A 253
ALA A 250
THR A 246
LEU A 316
1.75A19.17
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
PHE A 287
TYR A 237
ALA A 185
THR A 248
LEU A 316
1.70A19.17
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
PRO A 461
ASN B 118
SER A 664
ASN A 628
ARG A 349
1.77A17.71
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 788
GLN A 468
LEU A 469
LEU A 630
1.41A17.30
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
PHE A 317
ALA A 634
LEU A 469
ILE A 466
MET A 463
1.41A19.17
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 530
ALA A 376
LEU A 372
PRO A 378
1.28A17.30
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
THR A 246
PRO A 461
VAL A 398
ASN B 118
ARG A 349
1.78A17.71
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ILE A 742
TYR A 741
LEU A1001
LEU A 763
0.99A15.97
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR A 791
PRO A 792
PHE A 797
ASN C1074
SER A 884
1.80A15.48
None
None
None
NAG  C1305 (-1.8A)
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 400
PHE A 515
GLY A 526
ALA A 363
ILE A 358
1.65A17.25
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE A 742
TYR A 741
LEU A1001
LEU A 763
GLY B 757
1.17A15.97
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TYR B  38
TYR B 279
PHE B  55
ALA B 288
THR B  33
1.73A17.25
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE A 233
PHE A 222
PHE A 342
LEU A 299
LEU A 251
1.40A23.67
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6vxs NSP3
(SARS-CoV-2)		5 / 12
ILE A  23
ALA A 124
LEU A 123
HIS A  94
LEU A  88
1.61A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE C 742
TYR C 741
LEU C1001
LEU C 763
GLY A 757
1.22A16.03
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ILE C 742
TYR C 741
LEU C1001
LEU C 763
0.90A16.03
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PRO B  39
PHE A 562
VAL B 976
ALA A 570
ARG B  44
1.61A15.04
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE B 742
TYR B 741
LEU B1001
LEU B 763
GLY C 757
1.22A16.03
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE C 888
GLY B1131
ALA B1078
THR B1076
ILE B 712
1.64A16.55
None
NAG  B1310 (-3.5A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ILE A 742
TYR A 741
LEU A1001
LEU A 763
0.92A16.03
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE A 303
PHE A 241
ALA A 284
THR A 282
ILE A 281
1.60A21.58
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE C 429
PHE H  29
TYR H  32
GLY H  24
ILE H  50
1.71A16.70
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR C 365
TYR C 369
GLY H  97
THR C 430
ILE C 358
1.54A16.70
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE C 392
TYR L  27
TYR L  92
TRP L  50
ILE H  98
1.59A16.70
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
TYR C 365
PHE C 377
TYR C 369
THR H 100
ILE L  28
1.79A17.18
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLN A6957
ALA A6960
LEU A6961
LEU A7070
1.70A19.79
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6948
ALA A6990
ILE A6925
MET A6929
LEU A6978
1.49A
EDO  A7102 (-4.8A)
None
None
SAM  A7104 (-3.7A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6845
THR A6891
LEU A6893
ILE A6866
LEU A6924
1.62A
SAM  A7104 (-4.6A)
None
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ALA A6858
LEU A6924
ILE A6866
LEU A6959
1.63A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
ILE A7005
LEU A6848
LEU A6924
PRO A6805
1.61A19.79
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A  19
LEU A  30
LEU A 177
PRO A 122
1.49A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 239
ALA A 206
LEU A 208
LEU A 271
1.50A19.53
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.43A19.53
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.54A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.71A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLN A  69
LEU A  89
HIS A 164
LEU A  58
GLY A 120
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.74A
None
None
X77  A 401 (-4.1A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B  18
TYR B 161
LEU B 140
LEU B 160
1.61A18.09
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR A  17
ALA A 124
LEU A 153
LEU A  12
1.75A18.09
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w6y NSP3
(SARS-CoV-2)		5 / 12
PHE B 116
ALA B  60
THR B  57
LEU B  88
ILE B  23
1.78A16.04
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE A  23
ALA A 124
LEU A 123
LEU A  88
1.64A18.09
AMP  A 201 ( 4.0A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B  18
TYR B 161
LEU B  12
LEU B 169
1.43A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
GLN B 118
ALA B 112
LEU B 127
LEU B 153
1.72A18.09
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE A  18
TYR A 161
LEU A  12
LEU A 169
1.49A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
GLN B 107
ALA B 112
LEU B 153
PRO B  98
1.57A18.09
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B  23
ALA B 124
LEU B 123
LEU B  88
1.66A18.09
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w6y NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
ALA A  60
THR A  57
LEU A  88
ILE A  23
1.78A16.04
None
None
None
None
AMP  A 201 ( 4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ILE B 106
ALA B 134
LEU B 108
PRO B 136
1.71A18.09
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
GLN C6957
ALA C6960
LEU C6961
LEU C7070
1.65A18.77
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ILE D4334
ALA B4276
LEU D4328
PRO B4337
1.62A17.00
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE C6985
ALA C6858
LEU C6924
ILE C6866
LEU C6959
1.60A16.74
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
ILE A7005
ALA A6808
LEU A6857
PRO A6810
1.72A18.77
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
TYR C7040
GLN C6801
ALA C6997
LEU C6834
1.61A18.77
FMT  C7111 ( 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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE A6985
ALA A6858
LEU A6924
ILE A6866
LEU A6959
1.62A16.74
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR A6845
PHE A7048
THR A6891
LEU A6893
ILE A6866
1.79A16.74
SAM  A7102 ( 4.5A)
None
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w75 NSP16
(SARS-CoV-2)		4 / 8
GLN A6957
ALA A6960
LEU A6961
LEU A7070
1.69A18.77
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR A6845
THR A6891
LEU A6893
ILE A6866
LEU A6924
1.61A16.74
SAM  A7102 ( 4.5A)
None
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR C6845
THR C6891
LEU C6893
ILE C6866
LEU C6924
1.67A16.74
SAM  C7105 ( 4.5A)
None
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w75 NSP10
(SARS-CoV-2)		4 / 8
ILE B4334
ALA D4276
LEU B4328
PRO D4337
1.73A17.00
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR C  71
PHE C  79
TYR C  72
ALA C 153
ALA C 149
1.48A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C 127
ALA C 149
ALA C 144
THR C 102
LEU C 120
1.52A
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 216
PHE A 173
ALA A 116
THR A 168
MET A 244
1.60A21.91
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR C 305
LEU C 211
LEU C 253
ILE C 222
GLY C 219
1.56A
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE B 216
PHE B 173
ALA B 116
THR B 168
MET B 244
1.64A21.91
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ILE C 104
HIS C 275
ALA C 116
LEU C 113
ILE C 123
1.59A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C 241
PHE C 304
ALA C 116
LEU C 172
LEU C 125
1.53A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ILE B 104
HIS B 275
ALA B 116
LEU B 113
ILE B 123
1.51A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A  71
PHE A  79
TYR A  72
ALA A 153
ALA A 149
1.48A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ILE C 104
GLN C 121
ALA C 116
LEU C 113
ILE C 123
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ILE B 123
GLN B 121
ALA B 116
HIS B 175
ILE B 104
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR B  71
PHE B  79
TYR B  72
ALA B 153
ALA B 149
1.32A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR B 305
LEU B 211
LEU B 253
ILE B 222
GLY B 219
1.54A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 127
ALA A 149
ALA A 144
THR A 102
LEU A 120
1.55A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE B 127
ALA B 149
ALA B 144
THR B 102
LEU B 120
1.56A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR B 112
PHE B 304
ALA B 149
ALA B 153
LEU B 172
1.53A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
GLN C 122
GLN C 121
LEU C 120
LEU C 132
ILE C 276
1.65A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ILE A 151
GLN A 121
ALA A 135
LEU A 150
1.48A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 112
PHE A 304
ALA A 149
ALA A 153
LEU A 172
1.62A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR C 112
PHE C 304
ALA C 149
ALA C 153
LEU C 172
1.58A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ILE A 104
HIS A 275
ALA A 116
LEU A 113
ILE A 123
1.57A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		4 / 8
GLN A 113
ALA A 108
LEU A 106
LEU A  88
1.44A
PO4  A 201 (-4.6A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wcf NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
ALA A  60
THR A  57
LEU A  88
ILE A  23
1.77A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wen NSP3
(SARS-CoV-2)		5 / 12
PHE A 116
ALA A  60
THR A  57
LEU A  88
ILE A  23
1.77A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wiq NSP7
NSP8
(SARS-CoV-2)		4 / 8
ILE B 119
GLN A  31
LEU A  35
LEU B 122
1.24A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE E 314
TYR E 333
ALA F 308
LEU F 339
LEU F 353
1.77A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE A 337
ALA A 308
LEU A 353
PRO B 309
1.46A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE B 363
ALA A 311
ALA B 305
LEU B 352
LEU B 291
1.74A
None
CL  B 401 ( 3.7A)
CL  B 401 ( 4.3A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
TYR D 298
ALA B 267
ALA D 305
LEU D 352
ILE D 351
1.43A
None
CL  D 401 ( 4.2A)
CL  D 401 ( 4.6A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE C 363
ALA D 311
ALA C 305
LEU C 352
LEU C 291
1.72A
None
CL  C 401 ( 3.8A)
CL  C 401 ( 4.2A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE A 363
ALA B 311
ALA A 305
LEU A 352
LEU A 291
1.74A
None
CL  A 401 ( 3.7A)
CL  A 401 ( 4.3A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE E 337
ALA E 308
LEU E 353
PRO F 309
1.40A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE D 363
ALA C 311
ALA D 305
LEU D 352
LEU D 291
1.71A
None
CL  D 401 ( 4.1A)
CL  D 401 ( 4.6A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE B 337
ALA B 308
LEU B 353
PRO A 309
1.47A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE E 363
ALA F 311
ALA E 305
LEU E 352
LEU E 291
1.74A
None
CL  E 401 ( 4.0A)
CL  E 401 ( 4.3A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE D 337
ALA D 308
LEU D 353
PRO C 309
1.43A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ILE C 337
ALA C 308
LEU C 353
PRO D 309
1.48A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR C6845
THR C6891
LEU C6893
ILE C6866
LEU C6924
1.66A
SAH  C7102 (-4.6A)
None
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6845
THR A6891
LEU A6893
ILE A6866
LEU A6924
1.59A
SAH  A7102 (-4.6A)
None
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ALA A6858
LEU A6924
ILE A6866
LEU A6959
1.63A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE C6985
ALA C6858
LEU C6924
ILE C6866
LEU C6959
1.61A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6845
PHE A7048
THR A6891
LEU A6893
ILE A6866
1.75A
SAH  A7102 (-4.6A)
None
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
TYR C6950
GLN C6957
ALA C6919
LEU C6909
1.40A
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
THR A 148
PRO A 117
ASN A 140
ALA A 134
LYS A 143
1.76A14.73
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE C6985
ALA C6858
LEU C6924
ILE C6866
LEU C6959
1.61A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR A6845
THR A6891
LEU A6893
ILE A6866
LEU A6924
1.62A
SFG  A7103 ( 4.6A)
None
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE A6985
ALA A6858
LEU A6924
ILE A6866
LEU A6959
1.63A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR C6845
THR C6891
LEU C6893
ILE C6866
LEU C6924
1.67A
SFG  C7103 ( 4.5A)
None
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE B 303
PHE B 241
ALA B 284
THR B 282
ILE B 281
1.61A21.94
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
ILE B 307
ALA B 232
LEU B 228
LEU B 300
1.47A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE B 233
PHE B 222
TYR B 226
PHE B 342
LEU B 299
1.49A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE A 233
PHE A 222
TYR A 226
PHE A 342
LEU A 299
1.50A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.60A
U5G  A 401 (-3.5A)
None
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.49A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.47A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.44A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ILE C  18
GLN B 118
ALA C 154
LEU C 153
1.46A
None
None
APR  C 201 (-4.5A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ILE A  18
GLN D 118
ALA A 154
LEU A 153
1.44A
None
None
APR  A 201 (-4.6A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6845
THR A6891
LEU A6893
ILE A6866
LEU A6924
1.63A
SAH  A7101 (-4.5A)
None
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6985
ALA A6858
LEU A6924
ILE A6866
LEU A6959
1.66A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
ILE B 119
GLN A  31
LEU A  35
LEU B 122
1.23A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
ILE C  39
GLN C  34
ALA C  42
LEU D  98
1.41A
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
THR C  46
VAL D 130
ALA D 110
SER D 151
ASN D 100
1.79A11.27
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
ILE D 119
GLN C  31
LEU C  35
LEU D 122
1.23A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
ILE A  39
GLN A  34
ALA A  42
LEU B  98
1.45A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqd NSP8
(SARS-CoV-2)		4 / 8
ILE B 185
GLN B 157
LEU B 117
PRO B 121
1.35A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqd NSP8
(SARS-CoV-2)		4 / 8
ILE D 185
GLN D 157
LEU D 117
PRO D 121
1.39A
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
THR A  46
VAL B 130
ALA B 110
SER B 151
ASN B 100
1.80A11.27
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ILE A 249
ALA A 206
LEU A 250
LEU A 242
1.51A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.46A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.75A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.48A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.53A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.80A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
GLN A 122
GLN A 121
LEU A 120
LEU A 132
ILE A 276
1.65A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
TYR A 112
PHE A 304
ALA A 149
ALA A 153
LEU A 172
1.53A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ILE A 104
HIS A 275
ALA A 116
LEU A 113
ILE A 123
1.50A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
PHE A 127
ALA A 149
ALA A 144
THR A 102
LEU A 120
1.58A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
TYR A  71
PHE A  79
TYR A  72
ALA A 153
ALA A 149
1.39A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
PHE A  79
PHE A  69
ALA A  86
THR A 168
LEU A 172
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
TYR A 305
LEU A 211
LEU A 253
ILE A 222
GLY A 219
1.43A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
TYR A 136
PHE A 127
PHE A 173
ALA A 145
LEU A 117
1.34A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
TYR A  71
PHE A  79
ALA A 153
ALA A 149
LEU A 132
1.46A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 256
ALA A 206
LEU A 205
LEU A 242
1.65A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A  19
LEU A  30
LEU A 177
PRO A 122
1.57A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ILE A 281
ALA A 210
LEU A 208
LEU A 220
1.64A15.85
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.74A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.45A15.85
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.70A15.85
None
None
DMS  A 405 (-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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A   3
PHE A 150
ALA A 210
ALA A 206
ILE A 106
1.73A18.25
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 107
GLN A 110
ALA A 129
PRO A 132
1.65A15.85
None
None
None
DMS  A 404 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ILE A 249
ALA A 206
LEU A 250
LEU A 242
1.51A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 239
ALA A 206
LEU A 208
LEU A 271
1.48A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 273
ALA A 234
LEU A 242
LEU A 250
1.63A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 256
ALA A 206
LEU A 205
LEU A 227
1.49A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.50A15.85
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
ILE D 119
GLN C  31
LEU C  35
LEU D 122
1.18A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
ILE B 185
GLN B 157
LEU B 117
PRO B 121
1.22A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A  26
ALA A 133
ALA A  15
ILE A  90
LEU A  24
1.44A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
TYR A  83
GLN A  43
LEU A  81
ILE A  34
PRO A  33
1.55A
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
TYR A  71
TYR A  46
TRP A  12
GLY A  80
ALA A  79
1.76A13.76
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE A 392
TYR C  31
TYR C  98
TRP C  56
ILE B 102
1.58A21.34
None
None
DMS  C 303 (-3.8A)
DMS  A 905 (-4.1A)
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 392
TYR L  31
TYR L  98
TRP L  56
ILE H 102
1.58A21.34
None
None
None
DMS  L1601 (-3.8A)
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 392
TYR L  31
TYR L  98
TRP L  56
ILE H 102
1.62A21.34
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 429
PHE H  29
TYR H  32
ALA H  79
ILE H  50
1.68A21.34
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 392
TYR L  38
TYR L  98
TRP L  56
ILE H 102
1.69A21.34
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ALA A 206
LEU A 208
LEU A 272
PRO A 293
1.46A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A   3
PHE A 150
ALA A 210
ALA A 206
ILE A 106
1.77A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.71A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.46A
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE E 392
TYR L  31
TYR L  98
TRP L  56
ILE H 102
1.56A21.08
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
PHE A 392
TYR C  31
TYR C  98
TRP C  56
ILE B 102
1.57A21.08
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.45A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
PHE A   3
PHE A 150
ALA A 210
ALA A 206
ILE A 106
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.73A
PEG  A 405 (-3.2A)
None
None
None
PEG  A 405 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 239
ALA A 206
LEU A 208
LEU A 271
1.44A
PEG  A 404 (-3.8A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
TYR D 161
ALA D 154
LEU E  10
ILE E  18
LEU E 169
1.68A
None
EDO  D 208 (-4.2A)
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
TYR D 161
ALA D  21
LEU E  10
ILE E  18
LEU E 169
1.77A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ILE B  18
TYR B 161
LEU B  12
LEU B 169
1.49A
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  49
ASN C  37
ALA C  56
SER C  84
ASN D 159
1.74A17.39
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ILE A  18
TYR A 161
LEU A  12
LEU A 169
1.51A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
TYR D 161
ALA D 154
LEU E  10
ILE E  18
LEU E 169
1.74A
None
APR  D 201 (-4.5A)
EDO  E 203 ( 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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  49
ASN C  37
ALA C  56
SER C  84
ASN D 159
1.75A17.39
APR  C 201 (-3.6A)
None
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
ILE A  18
TYR A 161
LEU A  12
LEU A 169
1.48A
None
EDO  A 203 (-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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.44A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
GLN A 192
ALA A 194
HIS A 163
GLY A 183
PRO A 184
1.76A
None
None
PJE  C   5 (-3.8A)
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.48A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
1.73A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
PHE A   3
PHE A 150
ALA A 210
ALA A 206
ILE A 106
1.76A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 321
ALA A 253
ALA A 250
THR A 246
LEU A 316
1.73A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		5 / 12
ILE A 333
ALA A 379
HIS A 355
ILE A 539
PRO A 537
1.76A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ALA A 706
LEU A 708
LEU A 240
1.43A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		5 / 8
ILE A  86
GLN A 224
ALA A 199
LEU A  90
PRO A 227
1.75A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 287
TYR A 237
ALA A 185
THR A 248
LEU A 316
1.71A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		5 / 12
ILE A  86
GLN A 224
ALA A 199
LEU A  90
PRO A 227
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
NSP7
NSP8
(SARS-CoV-2)		5 / 12
ILE D 119
GLN C  31
LEU C  35
LEU D 122
GLY A 446
1.52A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
TYR A 788
GLN A 468
LEU A 469
LEU A 630
1.46A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
TYR A 728
ALA A  46
ILE A 244
LEU A 207
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP7
NSP8
(SARS-CoV-2)		4 / 8
ILE D 119
GLN C  31
LEU C  35
LEU D 122
1.04A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 317
ALA A 634
LEU A 469
ILE A 466
MET A 463
1.52A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 396
ALA A 406
THR A 402
MET A 666
LEU A 388
1.54A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ALA A 130
LEU A 131
LEU A 178
1.37A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 396
THR A 402
LEU A 401
MET A 666
LEU A 388
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
PRO A 461
ASN B 118
SER A 664
ASN A 628
ARG A 349
1.79A17.71
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
PHE A 287
ALA A  46
ILE A 244
LEU A 207
1.72A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 788
ALA A 706
LEU A 240
MET A 242
LEU A 731
1.76A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLN A 698
ALA A 634
LEU A 636
LEU A 351
1.36A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLN A 184
ALA A 185
LEU A 186
LEU A 251
1.23A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7btf NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ALA A 125
LEU A 127
LEU A 178
1.45A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ALA A 625
THR A 246
LEU A 247
LEU A 172
1.55A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 528
ALA A 656
ALA A 660
THR A 538
ILE A 562
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLN A  19
LEU A  30
LEU A 177
PRO A 122
1.51A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 206
LEU A 208
LEU A 272
PRO A 293
1.51A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
1.46A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 299
ALA A 211
LEU A 208
LEU A 287
1.49A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLN A 256
ALA A 206
LEU A 205
LEU A 227
1.48A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
TYR A 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.49A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
HIS A 246
ALA A 206
LEU A 208
LEU A 271
GLY A 109
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 396
ALA A 406
THR A 402
MET A 666
LEU A 388
1.53A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ALA A 625
THR A 246
LEU A 247
LEU A 172
1.54A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLN A 698
ALA A 634
LEU A 636
LEU A 351
1.34A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 321
ALA A 253
ALA A 250
THR A 246
LEU A 316
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ALA A 706
LEU A 708
LEU A 240
1.47A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
TYR A 788
GLN A 468
LEU A 469
LEU A 630
1.43A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 287
TYR A 237
ALA A 185
THR A 248
LEU A 316
1.72A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA A 375
LEU B  95
ILE A 562
GLY A 503
PRO A 505
1.65A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ALA A 130
LEU A 131
LEU A 178
1.40A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 396
THR A 402
LEU A 401
MET A 666
LEU A 388
1.58A
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
PRO A 461
ASN B 118
SER A 664
ASN A 628
ARG A 349
1.61A17.89
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
NSP7
(SARS-CoV-2)		5 / 12
PHE A 843
ALA C  30
LEU C  35
ILE C  39
LEU C  14
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 340
GLY A 670
THR A 540
ILE A 539
MET A 380
1.72A19.42
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
TYR A 728
ALA A  46
ILE A 244
LEU A 207
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ILE A 244
ALA A 125
LEU A 127
LEU A 178
ILE A  37
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
PHE A 317
ALA A 634
LEU A 469
ILE A 466
MET A 463
1.45A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
GLN A 184
ALA A 185
LEU A 186
LEU A 251
1.24A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA A 375
LEU B  98
ILE A 562
GLY A 503
PRO A 505
1.54A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA A 375
LEU B  91
ILE A 562
GLY A 503
PRO A 505
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 528
ALA A 656
ALA A 660
THR A 538
ILE A 562
1.72A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ALA A 130
LEU A 131
LEU A 178
1.40A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA A 375
LEU B  91
LEU B  95
ILE A 562
GLY A 503
1.73A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 787
ALA A 625
THR A 246
LEU A 247
LEU A 172
1.56A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 788
ALA A 706
LEU A 240
MET A 242
LEU A 731
1.77A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
TYR A 129
ALA A 706
LEU A 708
LEU A 240
1.50A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
TYR A 530
ALA A 376
LEU A 372
PRO A 378
1.36A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ALA A 375
LEU A 371
ILE A 539
GLY A 503
PRO A 505
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
GLN A 698
ALA A 634
LEU A 636
LEU A 351
1.35A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
GLN A 184
ALA A 185
LEU A 186
LEU A 251
1.20A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 317
ALA A 634
LEU A 469
ILE A 466
MET A 463
1.49A
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ILE A  86
GLN A 224
ALA A 199
PRO A 227
1.44A
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 340
GLY A 670
THR A 540
ILE A 539
MET A 380
1.78A19.42
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA A 375
LEU B  98
ILE A 562
GLY A 503
PRO A 505
1.40A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ALA A 375
LEU B  95
ILE A 562
GLY A 503
PRO A 505
1.39A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
TYR A 728
ALA A  46
ILE A 244
LEU A 207
1.71A
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
PRO A 461
ASN B 118
SER A 664
ASN A 628
ARG A 349
1.79A17.89
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP8
(SARS-CoV-2)		5 / 12
ALA B 125
THR B 124
LEU B 103
ILE B 107
LEU B 117
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ILE A 244
ALA A 125
LEU A 127
LEU A 178
1.46A
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ILE A 333
ALA A 379
HIS A 355
ILE A 539
PRO A 537
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 287
TYR A 237
ALA A 185
THR A 248
LEU A 316
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ILE A  86
ALA A 199
LEU A  90
PRO A 227
1.50A
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 321
ALA A 253
ALA A 250
THR A 246
LEU A 316
1.76A
None