Ligand ID: TOY


Drugbank ID:
DB00684
(Tobramycin)


Indication:
For the treatment of pseudomonas aeruginosa lung infections. Also being investigated for use in the treatment of sinus infections.

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

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

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		1x7q HLA, A-11
(Homo
sapiens)		4 / 8
TYR A  85
ASP A 137
ILE A  95
ASP A 119
1.60A22.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		1x7q HLA, A-11
(Homo
sapiens)		4 / 8
TYR A  85
ASP A 137
ILE A  95
ASP A 119
1.57A22.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP H 101
ILE H  34
ASP H  95
TYR S 491
1.37A19.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP H 101
ILE H  34
ASP H  95
TYR S 491
1.46A19.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2dd8 IGG LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP L  95
TYR S 491
ASP S 393
TYR S 481
1.67A20.27
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
PHE B  70
SER A  86
ALA A  87
THR A 159
ASP B  77
1.70A20.52
None
BR  A 319 (-3.4A)
BR  A 319 (-4.0A)
BR  A 319 ( 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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 9
ASP C 393
SER D 101
ALA C 430
THR C 487
ASP C 392
1.74A20.18
None
None
None
None
CL  C  20 ( 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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
ASP C 393
SER D 101
ALA C 430
THR C 487
ASP C 392
1.73A20.18
None
None
None
None
CL  C  20 ( 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.
4XJE_A_TOYA202_1
(AADB)		2gri NSP3
(SARSr)		4 / 8
ASP A  29
ASP A  33
GLU A  27
TYR A 108
1.35A18.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 8
ASP A 272
ASP A  87
ILE A 269
ASP A 267
1.56A19.61
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.
4XJE_A_TOYA202_1
(AADB)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		4 / 8
ASP A 272
ASP A  87
ILE A 269
ASP A 267
1.62A19.61
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP A 199
ASP A 202
ILE A 252
ASP A 296
1.43A19.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP B 199
GLU B  68
ILE B  71
ASP B 272
1.52A19.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP B 272
ASP B  87
ILE B 269
ASP B 267
1.59A19.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
ASP D 199
GLU D  68
ILE D  71
ASP D 272
1.54A19.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
PHE A 149
SER A 129
ALA A 168
ASP A  97
ASP A  99
1.72A20.13
SAH  A1293 (-4.6A)
None
None
None
SAH  A1293 (-2.7A)
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
TYR A 222
ASP A 144
ILE A 229
TYR A 181
1.50A21.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
PHE A 149
SER A 129
ALA A 168
ASP A  97
ASP A  99
1.71A20.13
SFG  A1298 ( 4.9A)
None
None
None
SFG  A1298 (-2.6A)
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
TYR A 222
ASP A 144
ILE A 229
TYR A 181
1.41A21.51
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.
4EVY_B_TOYB201_1
(AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
ASN A 177
GLU A 147
ASP A 114
GLY A 155
ASP A 179
1.78A20.49
None
None
SAH  A1300 (-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.
4XJE_A_TOYA202_1
(AADB)		2xyv PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
TYR A 222
ASP A 144
ILE A 229
TYR A 181
1.44A21.51
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.
4XJE_A_TOYA202_1
(AADB)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 8
ASP S 480
ASP A 480
TYR A 338
ILE A 405
1.30A17.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 8
ASP H  56
TYR L  94
GLU H  95
TYR S 491
1.47A18.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		4 / 8
ASP H  56
TYR L  94
GLU H  95
TYR S 491
1.54A18.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 9
ILE A 468
VAL A 485
TYR A 237
GLU A 467
GLU A 227
1.79A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 248
ASP A 245
ILE B 200
ASP B 197
1.58A19.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ASP A 248
ASP A 245
ILE B 200
ASP B 197
1.62A19.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		3i6g HLA, A-2
(Homo
sapiens)		4 / 8
ASP A  29
ASP A  30
ASP A 102
TYR A 113
1.62A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		3i6k BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		4 / 8
ASP E  39
ASP E  37
GLU E  46
ASP F  53
1.64A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 8
ASP D  39
ASP D  37
GLU D  46
ASP E  53
1.63A21.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		4 / 8
ASP D  39
ASP D  37
GLU D  46
ASP E  53
1.62A21.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
TYR A 222
ASP A 144
ILE A 229
TYR A 181
1.43A18.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
PHE A 149
SER A 129
ALA A 168
ASP A  97
ASP A  99
1.71A19.83
SAM  A 302 ( 4.8A)
None
None
None
SAM  A 302 (-2.6A)
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 8
TYR A 222
ASP A 144
ILE A 229
TYR A 181
1.39A18.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EVY_B_TOYB201_1
(AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 10
ASN A 177
GLU A 147
ASP A 114
GLY A 155
ASP A 179
1.68A19.08
None
None
SAM  A 302 (-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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		3scj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP A  30
TYR E 440
ASP A  38
TYR E 436
1.53A14.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 9
ASP C 211
SER A 218
SER A 221
ASP A 234
THR A 219
1.65A15.82
None
PEG  C 604 ( 4.0A)
PEG  C 604 ( 4.4A)
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
ASP A 757
SER A 717
ALA A 714
ASP C 600
THR A 841
1.77A9.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		5x4r S PROTEIN
(MERS-CoV)		5 / 9
ASP A 248
ILE A 245
SER A 267
VAL A 271
TYR A 332
1.53A18.94
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR A 195
ASP A 191
ASP A  57
TYR A  41
1.65A17.30
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 9
GLU B 452
SER C 105
SER C 113
THR C 106
ASP B 454
1.66A9.17
NAG  C1310 ( 4.3A)
NAG  C1310 ( 4.5A)
None
NAG  C1310 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ASP A 415
TYR B 195
ASP B  57
TYR B  41
1.49A10.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
ASP A 415
TYR B 195
ASP B  57
TYR B  41
1.47A10.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
GLU B 452
SER C 105
SER C 113
THR C 106
ASP B 454
1.71A9.17
NAG  C1310 ( 4.3A)
NAG  C1310 ( 4.5A)
None
NAG  C1310 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5x59 S PROTEIN
(MERS-CoV)		5 / 10
PHE B 865
GLU B 875
SER B 950
SER B 859
ALA B 969
1.73A9.94
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.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		5x5f S PROTEIN
(MERS-CoV)		5 / 9
ASP A 248
ILE A 245
SER A 267
VAL A 271
TYR A 332
1.53A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ASP A 454
GLU A 452
SER C 105
SER C 111
THR C 106
1.79A9.21
ASP  A 454 ( 0.6A)
GLU  A 452 ( 0.5A)
SER  C 105 ( 0.0A)
SER  C 111 ( 0.0A)
THR  C 106 ( 0.8A)
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.
4XJE_A_TOYA202_1
(AADB)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ASP B 554
ASP B 560
ILE A  46
TYR A 266
1.41A10.43
ASP  B 554 ( 0.5A)
ASP  B 560 ( 0.5A)
ILE  A  46 ( 0.7A)
TYR  A 266 ( 1.3A)
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.
4XJE_A_TOYA202_1
(AADB)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR C  41
ASP C  57
ILE C 272
ASP C  44
1.10A10.53
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
TYR C  41
ASP C  57
ILE C 272
ASP C  44
1.12A10.53
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.
4EVY_A_TOYA201_1
(AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ARG C 183
TRP C 101
GLU C  93
GLY C 100
ASN C  78
1.64A8.58
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.
3SG8_A_TOYA305_1
(APH(2'')-ID)		6ack ACE2
(Homo
sapiens)		5 / 12
ASN D 188
SER D 511
ASP D 509
GLU D 457
TRP D 459
1.54A18.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP B  57
TYR B 197
ILE B 272
ASP B  44
1.46A8.97
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ASP C 554
ASP C 560
ILE A  46
TYR A 266
1.48A8.97
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
GLU A 452
SER B 105
SER B 113
THR B 106
ASP A 454
1.49A9.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
GLU A 452
SER B 105
SER B 113
THR B 106
ASP A 454
1.50A9.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
TYR A  41
ASP A  57
ILE A 272
ASP A  44
1.23A9.00
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.
4XJE_A_TOYA202_1
(AADB)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
TYR A  41
ASP A  57
ILE A 272
ASP A  44
1.21A9.00
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.
4XJE_A_TOYA202_1
(AADB)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 8
ASP B  53
GLU C   2
ILE A  66
TYR A  74
1.51A18.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 9
ASP B  53
ILE A  23
SER A  67
TYR A  59
GLU A  46
1.64A10.75
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 8
ASP A  39
ASP A  37
GLU A  46
ASP B  53
1.66A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		6jyt HELICASE
(SARSr-CoV)		4 / 8
ASP B 113
ASP B 119
ASP A 119
TYR A 120
1.37A15.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6jyt HELICASE
(SARSr-CoV)		4 / 8
ASP B 113
ASP B 119
ASP A 119
TYR A 120
1.34A15.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6m17 ACE2
(Homo
sapiens)		4 / 8
ASP D 367
ASP D 368
GLU D 375
ILE D 358
1.39A12.15
None
None
ZN  D 914 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		6m17 ACE2
(Homo
sapiens)		4 / 8
ASP D 367
ASP D 368
GLU D 375
ILE D 358
1.38A12.15
None
None
ZN  D 914 (-4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
ASP C 189
TYR C 480
ILE C 576
ASP C 564
1.64A14.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EBK_A_TOYA301_1
(AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE)		6m1d ACE2
(Homo
sapiens)		5 / 9
GLU B 182
GLU B 181
ASP B 499
TYR B 180
ALA B 501
1.76A16.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
ASP C 445
GLU C 437
SER C 122
SER C 118
ALA C 117
1.73A13.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
ASP C 445
GLU C 437
SER C 122
SER C 118
ALA C 117
1.71A13.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6m1d ACE2
(Homo
sapiens)		5 / 10
PHE D 715
ASP B 713
SER B 646
SER D 645
ALA D 648
1.69A12.00
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.
4XJE_A_TOYA202_1
(AADB)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 8
ASP H 115
ASP H 113
ILE L  53
ASP L  60
1.51A20.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		4 / 8
ASP H 115
ASP H 113
ILE L  53
ASP L  60
1.48A20.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 10
PHE L 121
SER L 179
ALA L 116
ASP L 172
THR L 177
1.76A18.27
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6nur NSP12
NSP8
(SARSr-CoV)		4 / 8
TYR A 273
ASP B 112
ILE B 119
ASP A 269
1.33A14.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6nus NSP12
(SARSr-CoV)		5 / 10
SER A 564
SER A 561
ALA A 502
ASP A 684
THR A 565
1.57A11.39
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.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6nus NSP12
(SARSr-CoV)		5 / 9
SER A 564
SER A 561
ALA A 502
ASP A 684
THR A 565
1.54A11.39
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.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 10
PHE L 116
SER L 174
ALA L 112
ASP L 167
THR L 172
1.78A17.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 10
PHE L 116
SER L 174
ALA L 111
ASP L 167
THR L 172
1.74A17.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
TYR H  32
ASP H 101
ILE H  34
TYR H  52
1.66A21.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  32
ASP H 107
ILE H  34
TYR H  52
1.60A20.00
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.
4XJE_A_TOYA202_1
(AADB)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR B  32
ASP B 107
ILE B  34
TYR B  52
1.75A20.00
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.
4XJE_A_TOYA202_1
(AADB)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  32
ASP H 107
ILE H  34
TYR H  52
1.76A20.00
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR B  32
ASP B 107
ILE B  34
TYR B  52
1.60A20.00
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  32
ASP H 107
ILE H  34
TYR H  52
1.67A18.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJE_A_TOYA202_1
(AADB)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR B  32
ASP B 107
ILE B  34
TYR B  52
1.76A20.00
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.
4XJE_A_TOYA202_1
(AADB)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR H  32
ASP H 107
ILE H  34
TYR H  52
1.76A20.00
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR H  32
ASP H 107
ILE H  34
TYR H  52
1.61A20.00
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR B  32
ASP B 107
ILE B  34
TYR B  52
1.60A20.00
None