Ligand ID: CTY


Drugbank ID:
DB01211
(Clarithromycin)


Indication:
An alternative medication for the treatment of acute otitis media caused by H. influenzae, M. catarrhalis, or S. pneumoniae in patients with a history of type I penicillin hypersensitivity. Also for the treatment of pharyngitis and tonsillitis caused by susceptible Streptococcus pyogenes, as well as respiratory tract infections including acute maxillary sinusitis, acute bacterial exacerbations of chronic bronchitis, mild to moderate community-acquired pneuomia, Legionnaires' disease, and pertussis. Other indications include treatment of uncomplicated skin or skin structure infections, helicobacter pylori infection, duodenal ulcer disease, bartonella infections, early Lyme disease, and encephalitis caused by Toxoplasma gondii (in HIV infected patients in conjunction with pyrimethamine). Clarithromycin may also decrease the incidence of cryptosporidiosis, prevent the occurence of α-hemolytic (viridans group) streptococcal endocarditis, as well as serve as a primary prevention for Mycobacterium avium complex (MAC) bacteremia or disseminated infections (in adults, adolescents, and children with advanced HIV infection).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CTY' 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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5r82 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
PRO A 132
HIS A 246
LEU A 208
PHE A 294
1.67A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.77A17.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
PRO A 132
HIS A 246
LEU A 208
PHE A 294
1.67A17.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A  37
VAL A  36
MET A  17
VAL A  18
GLY A 149
1.52A21.15
None
None
None
DMS  A 403 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6lze VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.63A21.15
None
None
None
DMS  A 403 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A  37
VAL A  36
MET A  17
VAL A  18
GLY A 149
1.52A21.08
None
None
None
DMS  A 401 ( 4.8A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.63A21.08
None
None
None
DMS  A 401 ( 4.8A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ILE C 249
VAL C 297
GLU C 288
ALA C 211
ALA C 210
1.60A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
MET A 264
GLU A 290
ALA A 210
VAL A 212
GLY A 283
1.67A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
MET B 264
GLU B 290
ALA B 210
VAL B 212
GLY B 283
1.70A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR C 209
ALA C 211
ALA C 210
VAL C 296
GLY C 215
1.70A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		6 / 12
TYR C  37
VAL C  36
GLU C 178
MET C  17
VAL C  18
GLY C 149
1.73A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.52A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR D 209
ALA D 211
ALA D 210
VAL D 296
GLY D 215
1.70A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		6 / 12
TYR D  37
VAL D  36
GLU D 178
MET D  17
VAL D  18
GLY D 149
1.72A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ILE D 249
VAL D 297
GLU D 288
ALA D 211
ALA D 210
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		6 / 12
TYR B  37
VAL B  36
GLU B 178
MET B  17
VAL B  18
GLY B 149
1.79A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
TYR A  37
VAL A  36
MET A  17
VAL A  18
GLY A 149
1.51A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ILE A 249
VAL A 297
GLU A 290
ALA A 211
ALA A 210
1.60A21.08
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6m71 NSP12
(SARS-CoV-2)		4 / 5
PRO A 328
HIS A 381
LEU A 527
PHE A 340
1.73A15.34
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE C 670
GLY C 667
HIS C 655
SER C 691
ILE C 692
1.77A12.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
PRO B 225
LEU B  54
TYR B  91
PHE B  92
1.74A12.42
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU C 773
ALA C1025
ALA C1026
MET C1029
GLY C1059
1.35A12.42
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6vxs NSP3
(SARS-CoV-2)		5 / 12
VAL B  41
GLU B  64
ALA B  38
ALA B  39
GLY B  51
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE C 670
GLY C 667
HIS C 655
SER C 691
ILE C 692
1.69A12.51
None
None
NAG  C1310 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
PRO C 225
LEU C  54
TYR C  91
PHE C  92
1.76A12.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLU C 773
ALA C1025
ALA C1026
MET C1029
GLY C1059
1.34A12.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
ILE H  98
GLY H  97
TYR C 380
ASP H  54
SER C 375
1.56A20.76
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H  97
TYR C 380
ASP H  54
SER C 375
ILE H  30
1.53A20.76
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL A  41
GLU A  64
ALA A  38
ALA A  39
GLY A  51
1.60A
None
None
AMP  A 201 ( 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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL A  95
ALA A  50
ALA A  38
VAL A  36
GLY A  48
1.72A18.86
None
None
AMP  A 201 ( 3.9A)
None
AMP  A 201 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B  41
GLU B  64
ALA B  38
ALA B  39
GLY B  51
1.56A
None
None
MES  B 201 ( 3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ILE A  18
ALA A  39
ALA A  38
VAL A  36
GLY A  51
1.64A
None
None
AMP  A 201 ( 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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL A  41
ALA A  50
ALA A  39
VAL A  96
GLY A  48
1.69A
None
None
None
None
AMP  A 201 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B  95
ALA B  50
ALA B  38
VAL B  36
GLY B  48
1.77A18.86
None
MES  B 201 ( 3.7A)
MES  B 201 ( 3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B  41
ALA B  50
ALA B  39
VAL B  96
GLY B  48
1.65A
None
MES  B 201 ( 3.7A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
VAL B  41
ALA B  38
ALA B  39
VAL B  96
GLY B 130
1.70A18.86
None
MES  B 201 ( 3.4A)
None
None
MES  B 201 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ILE B  18
ALA B  39
ALA B  38
VAL B  36
GLY B  47
1.54A
None
None
MES  B 201 ( 3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ILE B  18
ALA B  39
ALA B  38
VAL B  36
GLY B  48
1.59A
None
None
MES  B 201 ( 3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ILE B  18
ALA B  39
ALA B  38
VAL B  36
GLY B  51
1.60A
None
None
MES  B 201 ( 3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6w75 NSP10
(SARS-CoV-2)		5 / 12
VAL B4274
ALA D4277
ALA D4276
VAL D4274
THR D4364
1.67A19.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wcf NSP3
(SARS-CoV-2)		5 / 12
VAL A  41
ALA A  50
ALA A  39
VAL A  96
GLY A  48
1.64A
None
MES  A 201 ( 3.0A)
MES  A 201 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wcf NSP3
(SARS-CoV-2)		5 / 12
VAL A  41
GLU A  64
ALA A  38
ALA A  39
GLY A  51
1.57A
None
None
MES  A 201 (-3.6A)
MES  A 201 ( 4.7A)
MES  A 202 (-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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wen NSP3
(SARS-CoV-2)		5 / 12
VAL A  41
GLU A  64
ALA A  38
ALA A  39
GLY A  51
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wey NSP3
(SARS-CoV-2)		5 / 12
VAL A 245
GLU A 268
ALA A 242
ALA A 243
GLY A 255
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wey NSP3
(SARS-CoV-2)		5 / 12
VAL A 245
ALA A 242
ALA A 243
VAL A 300
GLY A 334
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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY C 284
ARG C 262
ILE D 337
PHE C 314
TYR C 333
1.64A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY F 284
ARG F 262
ILE E 337
PHE F 314
TYR F 333
1.59A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wkq NSP10
(SARS-CoV-2)		5 / 12
VAL B4274
ALA D4277
ALA D4276
VAL D4274
THR D4364
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A  37
VAL A  36
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A 209
ALA A 211
ALA A 210
VAL A 296
GLY A 215
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE B 106
VAL A  41
ALA A  38
VAL A  77
GLY A 130
1.41A
None
None
APR  A 201 (-3.5A)
None
APR  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL B  41
ALA B  50
ALA B  39
VAL B  96
GLY B  47
1.70A
None
APR  B 201 (-3.3A)
None
None
APR  B 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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL C  41
ALA C  50
ALA C  39
VAL C  96
GLY C  47
1.66A
None
APR  C 201 (-3.5A)
None
None
APR  C 201 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL D  41
GLU D  64
ALA D  38
ALA D  39
GLY D  51
1.56A
None
None
APR  D 201 (-3.2A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE B 106
VAL A  41
ALA A  50
VAL A  96
GLY A  47
1.59A
None
None
APR  A 201 (-3.4A)
None
APR  A 201 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE B 106
VAL A  41
ALA A  38
VAL A  96
GLY A 130
1.64A
None
None
APR  A 201 (-3.5A)
None
APR  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL D  41
ALA D  50
ALA D  39
VAL D  96
GLY D  47
1.67A
None
APR  D 201 ( 3.7A)
None
None
APR  D 201 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A  41
GLU A  64
ALA A  38
ALA A  39
GLY A  51
1.54A
None
None
APR  A 201 (-3.5A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL C  41
GLU C  64
ALA C  38
ALA C  39
GLY C  51
1.53A
None
None
APR  C 201 (-3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL D  41
ALA D  50
ALA D  39
VAL D  96
GLY D  48
1.68A
None
APR  D 201 ( 3.7A)
None
None
APR  D 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL B  41
GLU B  64
ALA B  38
ALA B  39
GLY B  51
1.47A
None
None
APR  B 201 (-3.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
VAL A  41
ALA A  50
ALA A  39
VAL A  96
GLY A  47
1.68A
None
APR  A 201 (-3.4A)
None
None
APR  A 201 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A  37
VAL A  36
GLU A 178
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ILE A 249
VAL A 297
GLU A 288
ALA A 211
ALA A 210
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
PRO A 132
HIS A 246
LEU A 208
PHE A 294
1.60A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
ILE A 249
VAL A 297
GLU A 290
ALA A 211
ALA A 210
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ILE A 249
VAL A 297
GLU A 288
ALA A 211
ALA A 210
1.44A21.08
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.78A17.97
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
PRO A 132
HIS A 246
LEU A 208
PHE A 294
1.68A17.97
DMS  A 404 ( 4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY B 101
TYR B  52
GLU L  87
SER A 371
TYR A 369
1.75A19.34
None
None
None
DMS  A 901 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY B 101
TYR A 380
ASP B  55
SER A 375
ILE B  30
1.73A19.34
None
None
MLI  B 302 ( 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.
5IGW_A_CTYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
ILE B 102
GLY B 101
TYR A 380
ASP B  55
ILE B  30
1.61A19.34
None
None
None
MLI  B 302 ( 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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		6 / 12
TYR A  37
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  41
GLU C  64
ALA C  38
ALA C  39
GLY C  51
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE E  18
ALA E  39
ALA E  38
VAL E  36
GLY E  48
1.62A
None
None
EPE  E 202 (-3.3A)
None
EPE  E 202 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL E  41
GLU E  64
ALA E  38
ALA E  39
GLY E  51
1.58A
None
None
EPE  E 202 (-3.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE E  18
ALA E  39
ALA E  38
VAL E  36
GLY E  51
1.65A
None
None
EPE  E 202 (-3.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  41
ALA C  50
ALA C  39
VAL C  96
GLY C  48
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B  41
GLU B  64
ALA B  38
ALA B  39
GLY B  51
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A  41
GLU A  64
ALA A  38
ALA A  39
GLY A  51
1.61A
None
None
EDO  A 202 (-3.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B  41
ALA B  50
ALA B  39
VAL B  96
GLY B  48
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  41
GLU D  64
ALA D  38
ALA D  39
GLY D  51
1.59A
None
None
EDO  D 205 (-3.5A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  41
ALA D  50
ALA D  39
VAL D  96
GLY D  48
1.66A
None
EDO  D 206 (-3.6A)
None
None
EDO  D 209 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL E  41
ALA E  50
ALA E  39
VAL E  96
GLY E  48
1.67A
None
EPE  E 202 (-3.1A)
None
None
EPE  E 202 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A  41
ALA A  50
ALA A  39
VAL A  96
GLY A  48
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  41
ALA C  50
ALA C  39
VAL C  96
GLY C  47
1.64A
None
APR  C 201 (-3.6A)
None
None
APR  C 201 (-4.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B  41
ALA B  50
ALA B  39
VAL B  96
GLY B  48
1.65A
None
APR  B 201 (-3.5A)
None
None
APR  B 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ALA A  39
ALA A  38
VAL A  36
GLY A  51
1.64A
None
None
APR  A 201 (-3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  41
ALA C  50
ALA C  39
VAL C  96
GLY C  48
1.67A
None
APR  C 201 (-3.6A)
None
None
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE E  18
ALA E  39
ALA E  38
VAL E  36
GLY E  48
1.60A
None
None
APR  E 201 (-3.3A)
None
APR  E 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  41
ALA D  50
ALA D  39
VAL D  96
GLY D  48
1.67A
None
APR  D 201 (-3.6A)
None
None
EDO  D 204 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A  41
ALA A  50
ALA A  39
VAL A  96
GLY A  48
1.66A
None
APR  A 201 (-3.4A)
None
None
APR  A 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  41
GLU D  64
ALA D  38
ALA D  39
GLY D  51
1.55A
None
None
APR  D 201 (-3.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B  41
GLU B  64
ALA B  38
ALA B  39
GLY B  51
1.57A
None
None
APR  B 201 (-3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  41
GLU C  64
ALA C  38
ALA C  39
GLY C  51
1.58A
None
None
APR  C 201 (-3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ALA A  39
ALA A  38
VAL A  36
GLY A  48
1.68A
None
None
APR  A 201 (-3.4A)
None
APR  A 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE E  18
ALA E  39
ALA E  38
VAL E  36
GLY E  51
1.62A
None
None
APR  E 201 (-3.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE C  18
ALA C  39
ALA C  38
VAL C  36
GLY C  51
1.64A
None
None
APR  C 201 (-3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  41
ALA D  50
ALA D  39
VAL D  96
GLY D  47
1.65A
None
APR  D 201 (-3.6A)
None
None
APR  D 201 ( 4.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL E  41
ALA E  50
ALA E  39
VAL E  96
GLY E  47
1.64A
None
APR  E 201 (-3.4A)
None
None
APR  E 201 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ALA A  39
ALA A  38
VAL A  36
GLY A  47
1.58A
None
None
APR  A 201 (-3.4A)
None
APR  A 201 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP E 135
VAL B  41
ALA B  50
VAL B  96
GLY B  47
1.65A
EDO  B 202 (-4.8A)
None
APR  B 201 (-3.5A)
None
APR  B 201 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL E  41
GLU E  64
ALA E  38
ALA E  39
GLY E  51
1.55A
None
None
APR  E 201 (-3.3A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A  41
GLU A  64
ALA A  38
ALA A  39
GLY A  51
1.59A
None
None
APR  A 201 (-3.4A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE C  18
ALA C  39
ALA C  38
VAL C  36
GLY C  48
1.65A
None
None
APR  C 201 (-3.4A)
None
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ALA A  39
ALA A  38
VAL A  36
GLY A  48
1.62A
None
None
MES  A 201 (-3.5A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  41
GLU C  64
ALA C  38
ALA C  39
GLY C  51
1.60A
None
None
MES  C 201 (-3.5A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A  41
ALA A  50
ALA A  39
VAL A  96
GLY A  48
1.66A
None
MES  A 201 ( 3.7A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE A  18
ALA A  39
ALA A  38
VAL A  36
GLY A  51
1.64A
None
None
MES  A 201 (-3.5A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE B  18
ALA B  39
ALA B  38
VAL B  36
GLY B  48
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B  41
ALA B  50
ALA B  39
VAL B  96
GLY B  48
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ILE B  18
ALA B  39
ALA B  38
VAL B  36
GLY B  51
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL C  41
ALA C  50
ALA C  39
VAL C  96
GLY C  48
1.67A
None
MES  C 201 ( 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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL B  41
GLU B  64
ALA B  38
ALA B  39
GLY B  51
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL A  41
GLU A  64
ALA A  38
ALA A  39
GLY A  51
1.58A
None
None
MES  A 201 (-3.5A)
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
TYR A  37
VAL A  36
MET A  17
VAL A  18
GLY A 149
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7btf NSP12
(SARS-CoV-2)		4 / 5
PRO A 328
HIS A 381
LEU A 527
PHE A 340
1.77A15.34
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
VAL A  36
GLU A 178
MET A  17
VAL A  18
GLY A 149
1.62A
None
None
None
DMS  A 403 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
TYR A  37
VAL A  36
MET A  17
VAL A  18
GLY A 149
1.50A
None
None
None
DMS  A 403 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
PRO A 328
HIS A 381
LEU A 387
TYR A 674
1.79A15.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 517
VAL A 495
ALA A 502
ALA A 512
GLY A 510
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
PRO A 328
HIS A 381
LEU A 527
PHE A 340
1.79A15.45
None