Ligand ID: TXC


Drugbank ID:
DB00577
(Valaciclovir)


Indication:
For the treatment or suppression of cold sores (herpes labialis), herpes zoster (shingles), genital herpes in immunocompetent individuals, and recurrent genital herpes in HIV-infected individuals.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TXC'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
HIS A  80
LEU A  86
LEU A  27
ASP A 187
1.80A19.75
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 10
VAL B 934
ASN B 935
ALA B 938
GLN F 931
ASN F 935
1.43A13.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		1wyy E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 10
VAL B 934
ASN B 937
ALA B 938
GLN A 917
ASN A1175
1.71A14.61
 CL  B   3 ( 4.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		2ajf ACE2
(Homo
sapiens)		5 / 10
TYR A 180
TYR A 199
TYR A 510
ALA A 501
PRO A 500
1.73A20.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 10
TYR S 481
VAL S 394
ALA S 422
ASN S 424
ASN H  58
1.58A16.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		2duc REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
HIS B 163
GLU B 166
ALA B  46
HIS B 172
SER B 139
1.78A19.75
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B 174
PHE B 242
ALA B 182
SER B 246
ASP B 303
1.50A21.07
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
HIS C  90
LEU C  81
LEU C 151
ASP C  77
1.70A21.07
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
LEU Q  45
LEU R  45
HIS R  48
GLU R  66
GLU L  66
1.64A14.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		2kqw NSP3
(SARSr-CoV)		4 / 5
HIS A 173
LEU A 188
LEU A 196
ASP A 191
1.63A17.34
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
HIS B 234
LEU B 254
LEU B 248
ASP B 296
1.57A22.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 10
TYR A 338
TYR A 481
ASN A 435
ASN S 437
ASN A 479
1.78A16.39
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 558
LEU B 554
PHE B 525
ALA B 569
HIS B 401
1.68A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
TYR F 438
VAL F 388
ALA F 422
ASN F 424
ASN F 435
1.80A15.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
TYR B 180
TYR B 199
TYR B 510
ALA B 501
PRO B 500
1.70A20.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
HIS A 493
LEU A 503
LEU A 144
ASP A 269
1.67A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3e9s NSP3
(SARSr-CoV)		4 / 5
HIS A  90
LEU A  81
LEU A 151
ASP A  77
1.78A20.61
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		3e9s NSP3
(SARSr-CoV)		5 / 10
TYR A 113
VAL A 166
ASN A 263
GLN A 122
ASN A 111
1.74A19.48
None
None
None
None
OCS  A 112 ( 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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3e9s NSP3
(SARSr-CoV)		5 / 12
LEU A 174
PHE A 242
ALA A 182
SER A 246
ASP A 303
1.51A20.61
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 5
HIS B 119
LEU A 112
LEU B 114
ASP A  78
1.63A12.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		5 / 12
LEU D  95
LEU F   9
HIS D 114
ALA D 136
SER D   9
1.52A18.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN A 244
LEU A 242
LEU A 227
ALA A 267
ASP A 248
1.78A19.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 5
HIS B  90
LEU B  81
LEU B 151
ASP B  77
1.78A20.61
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		3sci ACE2
(Homo
sapiens)		5 / 10
TYR A 180
TYR A 199
TYR A 510
ALA A 501
PRO A 500
1.77A20.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3sci ACE2
(Homo
sapiens)		5 / 12
LEU B 558
LEU B 554
PHE B 525
ALA B 569
HIS B 401
1.71A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 558
LEU B 554
PHE B 525
ALA B 569
HIS B 401
1.76A21.99
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
TYR A 180
TYR A 199
TYR A 510
ALA A 501
PRO A 500
1.73A20.99
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
HIS A 493
LEU A 503
LEU A 144
ASP A 269
1.68A21.99
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 174
PHE A 242
ALA A 182
SER A 246
ASP A 303
1.55A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 10
TYR A  73
ASN A 147
ALA A 132
ASN A  14
ASN A  89
1.34A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 12
LEU B 174
PHE B 242
ALA B 182
SER B 246
ASP B 303
1.45A20.61
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		4 / 5
HIS A 239
LEU A 311
LEU A 174
ASP A 309
1.69A21.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
GLN B 244
LEU B 242
LEU B 227
ALA B 267
ASP B 248
1.69A19.75
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 174
PHE D 242
ALA D 182
SER D 246
ASP D 303
1.55A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR D 113
VAL D 166
ASN D 263
GLN D 122
ASN D 111
1.66A19.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 10
TYR B  73
ASN B 147
ALA B 132
ASN B  14
ASN B  89
1.37A19.48
None
SO4  B 402 (-3.1A)
None
SO4  B 402 (-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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
HIS B  90
LEU B  81
LEU B 151
ASP B  77
1.78A20.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 174
PHE D 242
ALA D 182
SER D 246
ASP D 303
1.47A20.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
HIS A1040
LEU A 840
LEU A 749
ASP A 719
1.38A17.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 10
TYR B 352
VAL B 510
ALA B 350
PRO B 513
ASN B 505
1.69A16.45
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU C 532
GLU A  45
ALA C 506
SER A 957
ASP C 557
1.49A17.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
LEU A 938
PHE A 850
ALA A1096
SER C 734
ASP C 740
1.49A15.63
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 5
HIS C 264
LEU B 402
LEU B 441
ASP B 384
1.54A15.63
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
TYR A 352
VAL A 510
ALA A 350
ASN A 375
PRO A 513
1.67A16.97
TYR  A 352 ( 1.3A)
VAL  A 510 ( 0.5A)
ALA  A 350 ( 0.0A)
ASN  A 375 ( 0.6A)
PRO  A 513 ( 1.1A)
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 174
PHE A 242
ALA A 182
SER A 246
ASP A 303
1.49A20.53
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 10
TYR A  73
ASN A 147
ALA A 132
ASN A  14
ASN A  89
1.37A19.53
None
NA  A 405 (-3.8A)
NA  A 405 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN B 993
LEU A 994
GLU B 999
GLU A 755
ALA A 754
1.45A17.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
TYR C 256
TYR C 252
VAL C 254
GLN C  32
ASN C  65
1.63A17.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 10
TYR A 256
TYR A 252
VAL A 254
ASN A  65
ASN A  29
1.55A18.41
None
None
None
NAG  A1301 (-1.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLN B 993
LEU C 994
GLU B 999
GLU C 755
ALA C 753
1.64A17.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6lzg ACE2
(Homo
sapiens)		4 / 5
HIS A 493
LEU A 503
LEU A 144
ASP A 269
1.70A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6lzg ACE2
(Homo
sapiens)		5 / 12
LEU A 558
LEU A 554
PHE A 525
ALA A 569
HIS A 401
1.70A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6m0j ACE2
(Homo
sapiens)		4 / 5
HIS A 493
LEU A 503
LEU A 144
ASP A 269
1.69A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6m17 ACE2
(Homo
sapiens)		4 / 5
HIS D 374
LEU D 333
LEU D 359
ASP D 335
1.40A20.24
 ZN  D 914 (-3.4A)
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6m1d ACE2
(Homo
sapiens)		5 / 12
LEU D 558
LEU D 554
PHE D 400
HIS D 378
ALA D 569
1.64A20.24
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6m71 NSP12
(SARS-CoV-2)		5 / 10
TYR A 619
ASN A 781
ALA A 777
GLN A 789
ASN A 705
1.79A19.64
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6nur NSP12
(SARSr-CoV)		5 / 10
TYR A 619
ALA A 777
GLN A 468
ASN A 705
ASN A 790
1.73A20.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
LEU A 189
LEU A 216
GLU A 191
ALA A 264
SER A 221
1.79A16.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
TYR A1007
VAL A1008
ALA A 766
GLN C 314
ASN A 764
1.78A16.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vxs NSP3
(SARS-CoV-2)		5 / 10
TYR A  68
TYR A  42
VAL A  41
ASN A  40
ASN A  37
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
VAL B1096
ALA B1078
GLN C 913
PRO B1079
ASN B1108
1.74A17.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
HIS A 519
LEU B 984
LEU B 981
ASP B 985
1.67A16.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
VAL A1096
ALA A1078
GLN B 913
PRO A1079
ASN A1108
1.71A17.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
HIS B 145
ALA A  90
HIS A  59
SER B  78
ASP B  82
1.64A14.09
 ZN  B 201 ( 3.3A)
None
ZN  B 201 ( 3.3A)
None
ZN  B 201 ( 2.4A)
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6w02 NSP3
(SARS-CoV-2)		5 / 10
TYR B  68
TYR B  42
VAL B  41
ASN B  40
ASN B  37
1.72A16.80
None
None
None
APR  B 201 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
GLN H   1
LEU H   4
PHE H  29
ALA H  71
ASP H 101
1.67A14.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
HIS B  89
LEU B  80
LEU B 150
ASP B  76
1.78A19.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 5
HIS A  89
LEU A  80
LEU A 150
ASP A  76
1.76A19.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 10
VAL B 160
ALA B 162
GLN A  63
PRO B 183
ASN B 118
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
HIS B 145
ALA A  90
HIS A  59
SER B  78
ASP B  82
1.54A13.45
 ZN  B 202 (-3.3A)
None
ZN  B 202 (-2.6A)
None
ZN  B 202 (-2.3A)
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 10
VAL D 160
ALA D 162
GLN C  63
PRO D 183
ASN D 118
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLN H 175
LEU H 174
PHE H 150
GLU H 152
ALA H  92
1.71A17.38
None
MLI  H 304 (-4.8A)
MLI  H 301 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
LEU C 164
LEU C 140
ARG C 141
ALA C 134
SER C 166
1.79A17.65
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.
4AQL_A_TXCA1452_1
(GUANINE DEAMINASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
GLN A 661
PHE A 348
GLU A 350
ALA A 311
SER A 681
1.73A19.29
None