Ligand ID: PPF


Drugbank ID:
DB00529
(Foscarnet)


Indication:
For the treatment of CMV retinitis in patients with acquired immunodeficiency syndrome (AIDS) and for treatment of acyclovir-resistant mucocutaneous HSV infections in immunocompromised patients.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'PPF' 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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		5r81 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.43A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		5r83 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.02A22.01
None
K0G  A1001 (-4.0A)
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.49A17.44
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.04A20.08
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.64A16.67
DMS  A 402 ( 4.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.72A20.08
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
1.63A20.08
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.58A22.25
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.52A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
1.66A19.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.63A19.81
None
ALC  D   2 ( 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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.06A19.81
ELL  D   3 (-4.6A)
ELL  D   3 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
1.66A20.25
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.66A20.25
None
N0A  D   2 ( 4.0A)
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.48A21.58
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.06A20.25
ELL  D   3 (-4.5A)
ELL  D   3 (-3.9A)
None
DMS  A 403 ( 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.56A22.19
DMS  A 404 ( 4.8A)
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE C 112
THR C 111
ASN C 151
ILE C 106
1.54A21.48
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE D 112
THR D 111
ASN D 151
ILE D 106
1.52A21.48
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
THR B 175
ASP B 187
HIS B  41
HIS B 164
1.78A22.34
None
None
3WL  B 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE B 112
THR B 111
ASN B 151
ILE B 106
1.61A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS C 164
HIS C  41
VAL C  42
LEU C  87
1.66A22.01
None
3WL  C 401 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS D 164
HIS D  41
VAL D  42
LEU D  87
1.64A22.01
None
3WL  D 401 (-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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.61A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS B 164
HIS B  41
VAL B  42
LEU B  87
1.66A22.01
None
3WL  B 401 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.66A22.01
None
3WL  A 401 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.09A22.01
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP C 295
PHE C 112
THR C 111
ILE C 136
1.58A22.34
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP B 295
PHE B 112
THR B 111
ILE B 136
1.61A22.34
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP D 295
PHE D 112
THR D 111
ILE D 136
1.62A22.34
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS C 172
HIS C 163
ALA C 116
LEU C 141
1.06A22.01
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS B 172
HIS B 163
ALA B 116
LEU B 141
1.08A22.01
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.59A22.34
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS D 172
HIS D 163
ALA D 116
LEU D 141
1.07A22.01
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.50A21.48
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.62A22.34
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.07A22.01
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
1.63A22.01
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 110
LEU A 329
THR A 344
HIS A 355
0.98A23.33
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ALA A 376
VAL A 373
LEU A 527
THR A 531
1.67A13.69
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 275
THR A 276
HIS A 355
HIS A 347
1.48A19.20
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
THR C1117
HIS C1083
ILE C1115
HIS C1088
1.33A15.21
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
HIS B  94
HIS B  45
ALA B  60
LEU B  88
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
HIS A  94
HIS A  45
ALA A  60
LEU A  88
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
HIS B  94
VAL B  35
LEU B  53
HIS B  45
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
HIS B  86
ALA B  89
LEU B  53
HIS B  94
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
THR C1117
HIS C1083
ILE C1115
HIS C1088
1.34A15.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
THR C1117
HIS C1083
ILE C1115
HIS C1088
1.42A15.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
THR B1117
HIS B1083
ILE B1115
HIS B1088
1.33A15.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
THR B1117
HIS B1083
ILE B1115
HIS B1088
1.40A15.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
PHE A 171
ASP B  82
HIS B 145
HIS A  59
1.27A16.26
None
ZN  B 201 ( 2.4A)
ZN  B 201 ( 3.3A)
ZN  B 201 ( 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
PHE A 171
ASP B  82
HIS B 145
HIS A  59
1.26A16.26
None
ZN  B 201 ( 2.4A)
ZN  B 201 ( 3.3A)
ZN  B 201 ( 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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6w41 CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE C 392
THR C 393
ILE L  28
HIS C 519
1.27A16.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP H  54
PHE C 377
THR C 376
ILE H  30
1.72A17.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.03A
X77  A 401 ( 4.6A)
X77  A 401 (-4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.58A
None
X77  A 401 (-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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.48A21.48
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.59A22.34
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
HIS B  86
ALA B  89
LEU B  53
HIS B  94
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA B  27
VAL B  24
THR B  57
HIS B  86
1.75A23.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
HIS A  94
HIS A  45
ALA A  60
LEU A  88
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
ALA A  27
VAL A  24
THR A  57
HIS A  86
1.78A23.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
HIS B  94
ALA B  52
VAL B  49
LEU B  88
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
HIS B  94
HIS B  45
ALA B  60
LEU B  88
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
HIS A  94
ALA A  52
VAL A  49
LEU A  88
1.68A23.11
None
AMP  A 201 ( 4.0A)
AMP  A 201 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  60
VAL A  63
HIS A  94
1.80A23.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 8
ASP B4335
PHE C6901
HIS D4333
ILE C6910
1.68A16.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 7
PHE A6901
ASN A6899
HIS B4333
ILE A6910
1.78A14.99
None
SAM  A7102 ( 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A  12
PHE A   8
THR A  10
HIS A  17
1.65A21.78
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ASP B  12
PHE B   8
THR B  10
HIS B  17
1.61A21.78
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
PHE A   8
THR A  10
ASP A  12
HIS A  17
1.75A21.78
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
PHE C   8
THR C  10
ASP C  12
HIS C  17
1.73A21.78
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ASP C  12
PHE C   8
THR C  10
HIS C  17
1.60A21.78
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
PHE B   8
THR B  10
ASP B  12
HIS B  17
1.74A21.78
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
THR A 277
ASN A  99
ILE A 285
HIS A 275
1.41A20.37
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
HIS A  94
ALA A  52
VAL A  49
LEU A  88
1.61A
None
MES  A 202 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
HIS A  94
HIS A  45
ALA A  60
LEU A  88
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wen NSP3
(SARS-CoV-2)		4 / 8
HIS A  94
HIS A  45
ALA A  60
LEU A  88
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wen NSP3
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wey NSP3
(SARS-CoV-2)		4 / 8
HIS A 290
ALA A 293
LEU A 257
HIS A 298
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wey NSP3
(SARS-CoV-2)		4 / 8
HIS A 298
HIS A 249
ALA A 264
LEU A 292
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wey NSP3
(SARS-CoV-2)		4 / 8
HIS A 298
ALA A 256
VAL A 253
LEU A 292
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE F 286
ASP F 288
ILE F 304
HIS F 356
1.73A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE C 286
ILE C 304
HIS C 300
HIS C 356
1.48A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE E 286
ILE E 304
HIS E 300
HIS E 356
1.49A14.00
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE C 286
ASP C 288
ILE C 304
HIS C 356
1.75A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE E 286
ASP E 288
ILE E 304
HIS E 356
1.70A14.00
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE B 286
ASP B 288
ILE B 304
HIS B 356
1.62A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE A 286
ILE A 304
HIS A 300
HIS A 356
1.49A14.00
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE C 286
ASP C 288
ILE C 304
HIS C 356
1.66A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 315
ASP C 288
ILE C 304
HIS C 356
1.48A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE B 286
ASP B 288
ILE B 304
HIS B 356
1.73A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE A 286
ASP A 288
ILE A 304
HIS A 356
1.75A14.00
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE E 286
ASP E 288
ILE E 304
HIS E 356
1.69A14.00
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE D 286
ASP D 288
ILE D 304
HIS D 356
1.63A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE A 286
ASP A 288
ILE A 304
HIS A 356
1.73A14.00
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE A 286
ASP A 288
ILE A 304
HIS A 356
1.64A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE E 315
ASP F 288
ILE F 304
HIS F 356
1.50A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE C 286
ASP C 288
ILE C 304
HIS C 356
1.76A14.00
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE B 315
ASP A 288
ILE A 304
HIS A 356
1.50A14.00
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE F 286
ASP F 288
ILE F 304
HIS F 356
1.64A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE F 286
ASP F 288
ILE F 304
HIS F 356
1.74A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE F 286
ILE F 304
HIS F 300
HIS F 356
1.52A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 286
ASP D 288
ILE D 304
HIS D 356
1.72A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 286
ILE D 304
HIS D 300
HIS D 356
1.50A14.00
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 286
ASP D 288
ILE D 304
HIS D 356
1.71A14.00
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE E 286
ASP E 288
ILE E 304
HIS E 356
1.60A15.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE B 286
ASP B 288
ILE B 304
HIS B 356
1.71A14.00
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE B 286
ILE B 304
HIS B 300
HIS B 356
1.42A14.00
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
PHE C6901
ASN C6899
HIS D4333
ILE C6910
1.77A23.52
None
SAH  C7102 (-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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
PHE A6901
ASN A6899
HIS B4333
ILE A6910
1.75A23.52
None
SAH  A7102 (-4.0A)
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
HIS D  59
ALA D 173
LEU D  56
THR D  57
1.40A
 ZN  A 201 (-4.1A)
None
None
ZN  A 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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 171
ASP A  82
HIS A 145
HIS D  59
1.22A16.26
None
ZN  A 201 (-2.4A)
ZN  A 201 (-3.1A)
ZN  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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
HIS B  59
ALA B 173
LEU B  56
THR B  57
1.36A
 ZN  C 201 (-3.3A)
None
None
ZN  C 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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
THR D  57
ASN A  77
ILE A 146
HIS A 145
1.70A16.06
 ZN  A 201 ( 4.4A)
None
None
ZN  A 201 (-3.1A)
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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR A  57
ASP B  82
HIS A  59
HIS B 145
1.58A16.26
MES  B 201 (-4.7A)
ZN  B 202 (-2.3A)
ZN  B 202 (-2.6A)
ZN  B 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 171
ASP A  82
HIS A 145
HIS D  59
1.29A16.26
None
ZN  A 201 (-2.4A)
ZN  A 201 (-3.1A)
ZN  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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
THR A  57
ASP B  82
HIS A  59
HIS B 145
1.63A16.26
MES  B 201 (-4.7A)
ZN  B 202 (-2.3A)
ZN  B 202 (-2.6A)
ZN  B 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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE B 171
ASP C  82
HIS C 145
HIS B  59
1.38A16.06
None
ZN  C 201 (-2.4A)
ZN  C 201 (-3.4A)
ZN  C 201 (-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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE D 171
ASP A  82
HIS A 145
HIS D  59
1.31A16.06
None
ZN  A 201 (-2.4A)
ZN  A 201 (-3.1A)
ZN  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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE B 171
ASP C  82
HIS C 145
HIS B  59
1.30A16.26
None
ZN  C 201 (-2.4A)
ZN  C 201 (-3.4A)
ZN  C 201 (-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.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 5
THR D 141
ASP D  82
HIS C  59
HIS D 145
1.69A16.26
None
ZN  D 202 (-2.7A)
ZN  D 202 (-3.2A)
ZN  D 202 (-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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE C 171
ASP D  82
HIS D 145
HIS C  59
1.34A16.26
None
ZN  D 202 (-2.7A)
ZN  D 202 (-3.4A)
ZN  D 202 (-3.2A)
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP C  81
HIS B  59
ILE C 146
HIS C 145
1.38A16.26
None
ZN  C 201 (-3.3A)
None
ZN  C 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE B 171
ASP C  82
HIS C 145
HIS B  59
1.33A16.26
None
ZN  C 201 (-2.4A)
ZN  C 201 (-3.4A)
ZN  C 201 (-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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
THR D 141
ASP D  82
HIS D 145
HIS C  59
1.75A16.26
None
ZN  D 202 (-2.7A)
ZN  D 202 (-3.4A)
ZN  D 202 (-3.2A)
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
HIS A  59
ALA A 173
LEU A  56
THR A  57
1.46A
 ZN  B 202 (-2.6A)
None
None
MES  B 201 (-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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASP C  81
HIS B  59
ILE C 146
HIS C 145
1.71A16.26
None
ZN  C 201 (-3.3A)
None
ZN  C 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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
HIS C  59
ALA C 173
LEU C  56
THR C  57
1.45A
 ZN  D 202 (-3.2A)
None
None
ZN  D 202 ( 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 8
ASP B4335
PHE C6901
HIS D4333
ILE C6910
1.67A16.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 7
PHE A6901
ASN A6899
HIS B4333
ILE A6910
1.76A23.52
None
SFG  A7103 ( 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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.51A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 164
VAL A 148
LEU A 177
THR A 175
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.59A22.34
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.04A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A  94
ALA A  52
VAL A  49
LEU A  88
1.61A
None
APR  A 201 ( 4.2A)
APR  A 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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS B  86
ALA B  89
LEU B  53
HIS B  94
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS C  94
ALA C  52
VAL C  49
LEU C  88
1.61A
None
APR  C 201 ( 4.2A)
APR  C 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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS B  94
ALA B  52
VAL B  49
LEU B  88
1.55A
None
APR  B 201 ( 4.1A)
APR  B 201 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS D  86
ALA D  89
LEU D  53
HIS D  94
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS D  94
ALA D  52
VAL D  49
LEU D  88
1.58A
None
APR  D 201 ( 4.4A)
APR  D 201 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS C  86
ALA C  89
LEU C  53
HIS C  94
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
PHE A6901
ASN A6899
HIS B4333
ILE A6910
1.77A23.52
None
SAH  A7101 (-4.0A)
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.07A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ALA A 234
LEU A 242
THR A 243
HIS A 246
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.51A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.69A22.34
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
THR A 277
ASN A  99
ILE A 285
HIS A 275
1.51A20.05
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.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
ARG A 183
GLN A 237
VAL A 242
GLU A 307
1.57A20.78
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
ASP A  12
PHE A   8
THR A  10
HIS A  17
1.66A21.78
 CL  A 506 (-3.5A)
None
CL  A 506 (-4.0A)
CL  A 506 ( 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
PHE A   8
THR A  10
ASP A  12
HIS A  17
1.73A21.78
None
CL  A 506 (-4.0A)
CL  A 506 (-3.5A)
CL  A 506 ( 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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP B 295
PHE B 112
THR B 111
ILE B 136
1.46A22.34
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.66A16.67
DMS  A 403 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.51A17.18
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
1.62A20.08
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.03A20.08
DMS  A 405 ( 4.8A)
DMS  A 405 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.71A20.08
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE A 392
THR A 393
ILE C  34
HIS A 519
1.46A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP H  55
PHE E 377
THR E 376
ILE H  30
1.72A18.97
MLI  E 908 (-3.9A)
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE E 392
THR E 393
ILE L  34
HIS E 519
1.47A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP B  55
PHE A 377
THR A 376
ILE B  30
1.76A18.97
MLI  B 302 ( 4.1A)
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6ym0 LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE E 392
THR E 393
ILE L  34
HIS E 519
1.39A17.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.50A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.66A23.86
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.02A
None
P6N  A 502 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE E 392
THR E 393
ILE L  34
HIS E 519
1.46A17.93
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP H  55
PHE E 377
THR E 376
ILE H  30
1.72A18.97
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
ASP B  55
PHE A 377
THR A 376
ILE B  30
1.72A18.97
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		6yor IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE A 392
THR A 393
ILE C  34
HIS A 519
1.47A17.93
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.50A21.48
None
CL  A 406 ( 3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
1.65A
PEG  A 405 (-3.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.66A23.86
 CL  A 406 (-3.4A)
None
CL  A 406 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.10A
None
DMS  A 403 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS C  94
VAL C  35
LEU C  53
THR C  57
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS B  94
HIS B  45
ALA B  60
LEU B  88
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS B  86
ALA B  89
LEU B  53
HIS B  94
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS D  86
ALA D  89
LEU D  53
HIS D  94
1.30A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS E  86
ALA E  89
LEU E  53
HIS E  94
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS C  94
VAL C  35
LEU C  53
HIS C  45
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS C  86
ALA C  89
LEU C  53
HIS C  94
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS B  86
ALA B  89
LEU B  53
HIS B  94
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS E  94
ALA E  52
VAL E  49
LEU E  88
1.65A
None
APR  E 201 ( 4.1A)
APR  E 201 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS E  86
ALA E  89
LEU E  53
HIS E  94
1.28A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS D  86
ALA D  89
LEU D  53
HIS D  94
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS D  94
ALA D  52
VAL D  49
LEU D  88
1.67A
None
EDO  D 204 ( 3.7A)
APR  D 201 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS B  94
ALA B  52
VAL B  49
LEU B  88
1.66A
None
APR  B 201 ( 4.0A)
APR  B 201 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS C  86
ALA C  89
LEU C  53
HIS C  94
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS C  86
ALA C  89
LEU C  53
HIS C  94
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS B  86
ALA B  89
LEU B  53
HIS B  94
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS B  94
HIS B  45
ALA B  60
LEU B  88
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS A  86
ALA A  89
LEU A  53
HIS A  94
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS A  94
ALA A  52
VAL A  49
LEU A  88
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
HIS B  94
ALA B  52
VAL B  49
LEU B  88
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.52A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bqy MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		4 / 8
HIS A 163
ALA A 173
LEU C   4
HIS A  41
1.58A
PJE  C   5 (-3.8A)
None
PJE  C   5 ( 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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bqy MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		4 / 8
HIS A 163
ALA C   2
LEU C   4
HIS A 164
1.61A
PJE  C   5 (-3.8A)
02J  C   1 ( 3.6A)
PJE  C   5 ( 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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.05A
PJE  C   5 (-4.4A)
PJE  C   5 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.59A22.34
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		7btf NSP8
(SARS-CoV-2)		4 / 7
PHE D 147
THR D 148
ASN D 109
ASP D 143
1.29A19.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
THR A 896
ASP A 893
ILE A 856
HIS A 892
1.72A19.20
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 110
LEU A 329
THR A 344
HIS A 355
1.02A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7btf NSP12
(SARS-CoV-2)		4 / 8
ALA A 376
VAL A 373
LEU A 527
THR A 531
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7btf NSP7
NSP8
(SARS-CoV-2)		4 / 8
ALA C  65
VAL C  66
LEU D  91
THR D  89
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 101
ASP A 218
ILE A 114
HIS A  75
1.73A19.20
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 7
THR A 896
ASP A 893
ILE A 856
HIS A 892
1.79A18.07
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 246
ALA A 234
LEU A 227
THR A 243
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.08A
DMS  A 402 (-4.4A)
DMS  A 402 (-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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
HIS A 164
HIS A  41
VAL A  42
LEU A  87
1.65A
None
JRY  A 401 (-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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.45A21.48
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ASP A 295
PHE A 112
THR A 111
ILE A 136
1.56A22.34
DMS  A 406 ( 4.7A)
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 223
THR A 225
ASN A 221
ASP A 229
1.73A21.48
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
ALA A 234
LEU A 242
THR A 243
HIS A 246
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		7bv1 NSP8
(SARS-CoV-2)		4 / 7
PHE D 147
THR D 148
ASN D 109
ASP D 143
1.58A19.01
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 275
THR A 276
HIS A 355
HIS A 347
1.47A19.02
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 110
LEU A 329
THR A 344
HIS A 355
1.20A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ALA A 250
LEU A 261
THR A 259
HIS A 256
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_C_PPFC601_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
ARG A 173
ASP A 155
ASP A 153
LYS A 159
1.64A19.92
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ALA A 376
VAL A 373
LEU A 527
THR A 531
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 110
LEU A 329
THR A 344
HIS A 355
1.23A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 275
THR A 276
HIS A 355
HIS A 347
1.59A19.02
None