Ligand ID: PAC


Drugbank ID:
DB09269
(Phenylacetic acid)


Indication:
For use as adjunctive therapy for the treatment of acute hyperammonemia and associated encephalopathy in patients with deficiencies in enzymes of the urea cycle.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'PAC' 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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
1.37A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.69A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 7
PHE C 970
PHE A 970
SER B 967
ILE B1169
1.47A22.44
14.97
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6lze VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.67A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6lzg ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 7
SER A  19
ALA A  25
TYR A  83
SER B 477
ALA B 475
1.78A18.37
21.73
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL B 350
TYR B 423
GLU B 406
1.35A19.18
11.11
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.66A22.47
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
SER D 144
ALA D 116
TYR D 126
SER B   1
1.75A21.57

3WL  D 401 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 305
SER A   1
SER A 301
ILE A 213
1.72A21.09

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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
SER B 144
ALA B 116
TYR B 126
SER D   1
1.72A21.57

3WL  B 401 (-3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA B 255
VAL B 212
TYR B 209
1.67A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.67A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA D 260
VAL D 212
TYR D 209
1.34A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA B 260
VAL B 212
TYR B 209
1.34A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
SER D 123
GLY D  15
GLY B  11
LYS B  12
1.39A20.08
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA D 255
VAL D 212
TYR D 209
1.65A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA C 255
VAL C 212
TYR C 209
1.64A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
SER D 121
GLY D  15
GLY B  11
LYS B  12
1.67A20.08
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
SER A  10
PRO C   9
ALA A 116
ALA A   7
1.63A21.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
MET B   6
SER D  10
ALA D   7
SER D 123
1.60A21.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
SER C 144
ALA C 116
TYR C 126
SER A   1
1.74A21.57

3WL  C 401 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 4
SER C 121
GLY C  15
GLY A  11
LYS A  12
1.73A20.08
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
MET A   6
SER C  10
ALA C   7
SER C 123
1.69A21.57

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE B 305
SER B   1
SER B 301
ILE B 213
1.70A21.09

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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
1.35A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
SER A 144
ALA A 116
TYR A 126
SER C   1
1.75A21.57

3WL  A 401 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2q 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
1.36A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m2q 3CL PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.69A22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
SER C  79
GLY C  86
GLY C 115
LYS C 144
1.33A16.55
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
(SARS-CoV-2)		4 / 7
MET A 566
SER A 520
ALA A 490
SER A 518
1.52A12.66

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 561
ALA A 502
ILE A 562
ASN A 507
1.54A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 7
PHE A 859
PHE A 419
ALA A 840
ILE A 837
1.22A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 652
ALA A 311
ILE A 632
ASN A 314
1.45A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
ALA A  95
ASN A 215
1.62A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 7
PRO B 121
ALA B 125
SER A 397
ALA A 400
1.54A18.94

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m71 NSP12
(SARS-CoV-2)		3 / 3
ALA A 449
VAL A 667
TYR A 674
1.22A11.86
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ALA A 771
1.77A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m71 NSP12
(SARS-CoV-2)		3 / 3
ALA A 747
VAL A 720
TYR A 719
1.61A11.86
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
(SARS-CoV-2)		4 / 7
SER A 835
PRO A 834
TYR A 831
SER A 434
1.37A12.66

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
MET A 242
PHE A 287
ILE A 466
ASN A 314
1.74A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B  94
PRO A 378
ALA A 379
ALA A 375
1.70A18.94

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET A 666
PRO B 121
ALA A 399
ALA A 379
1.63A12.66

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
(SARS-CoV-2)		4 / 7
PRO A 232
TYR A 289
SER A 229
ALA A 199
1.63A12.66

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
(SARS-CoV-2)		4 / 7
MET A 666
SER A 343
TYR A 346
ALA A 379
1.65A12.66

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 7
MET A 615
PHE A 766
PHE A 753
ILE A 779
1.71A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 10
PRO A 232
CYH A 193
THR A 189
TYR A 237
VAL A 233
1.69A13.78
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B  87
SER A 561
TYR A 515
ALA A 376
1.65A18.94

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ILE A 779
1.72A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 7
MET A 755
PHE A 782
ALA A 762
ILE A 757
1.61A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 313
PHE A 287
SER A 239
ILE A 466
1.78A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 859
PHE A 419
ALA A 840
ILE A 837
1.36A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m71 NSP12
(SARS-CoV-2)		4 / 7
PHE A 766
SER A 778
SER A 772
ALA A 771
1.63A13.27

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m71 NSP12
(SARS-CoV-2)		3 / 3
ALA A 585
VAL A 476
TYR A 479
1.26A11.86
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m71 NSP7
(SARS-CoV-2)		4 / 7
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.79A15.46

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL A 597
TYR A 313
GLU A 298
1.37A9.85
3.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PHE A 927
PHE A 802
ALA A 924
ILE A 923
1.41A11.05
19.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE C  43
SER B 555
ALA B 575
ILE B 584
1.19A11.05
18.89
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TRP B 104
PHE B 194
PHE B 192
ILE B 203
VAL B 126
1.38A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PRO C1069
ALA A 890
TYR C1047
ALA A 893
1.11A10.40
19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
VAL B 142
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
VAL B 142
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
VAL B 142
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6vxs NSP3
(SARS-CoV-2)		3 / 3
VAL A  41
TYR A  42
GLU A 104
1.14A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
VAL B 142
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6vxs NSP3
(SARS-CoV-2)		3 / 3
VAL B  41
TYR B  42
GLU B 104
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6vxs NSP3
(SARS-CoV-2)		3 / 3
ALA A  70
VAL B  41
TYR B  42
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxs NSP3
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL A 597
TYR A 313
GLU A 298
1.31A9.94
3.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE A  43
SER C 555
ALA C 575
ILE C 584
1.34A10.50
18.75
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PRO B1069
ALA C 890
TYR B1047
ALA C 893
1.05A10.21
18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		6 / 12
TRP C 104
PHE C 194
PHE C 192
ILE C 203
VAL C 120
VAL C 126
1.46A18.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PHE A 927
PHE A 802
ALA A 924
ILE A 923
1.42A10.50
18.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
PHE A  43
SER C 555
ALA C 575
ILE C 584
1.33A10.50
18.75
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
TRP B 104
PHE B 194
ILE B 203
VAL B 120
VAL B 126
1.41A18.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PRO A1069
ALA B 890
TYR A1047
ALA B 893
1.02A10.21
18.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PHE A 927
PHE A 802
ALA A 924
ILE A 923
1.40A10.50
18.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL B 597
TYR B 313
GLU B 298
1.31A9.79
3.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 4
SER B  78
GLY B  85
GLY B 114
LYS B 143
1.46A15.78
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6w02 NSP3
(SARS-CoV-2)		3 / 3
VAL B  41
TYR B  42
GLU B 104
0.86A22.75
14.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 7
ALA C 363
TYR C 365
SER C 514
ALA C 397
1.67A23.77
14.79
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 7
PHE C 338
PHE C 342
SER C 399
ALA C 397
1.80A23.42
14.79
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w4h NSP16
(SARS-CoV-2)		3 / 3
ALA A6966
VAL A6882
TYR A6845
1.14A21.33
None
None
SAM  A7102 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w4h NSP16
(SARS-CoV-2)		4 / 7
SER A7039
PRO A6835
ALA A6843
ALA A6832
1.22A22.12
19.26
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w4h NSP16
(SARS-CoV-2)		4 / 7
PHE A7003
SER A6999
ALA A7002
ILE A6969
1.47A22.12
19.26
None
ACT  A7103 (-2.6A)
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A7039
PRO A6835
ALA A6843
ALA A6832
1.33A21.90
14.05
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A7039
PHE A7043
ALA A6843
ILE A6838
1.60A20.19
14.05
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A6964
ALA A6960
SER A7074
ALA A6858
1.78A21.90
14.05
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A6872
PRO A6878
TYR A6845
SER A6903
1.74A21.90
14.05
SAM  A7104 (-4.4A)
SAM  A7104 (-3.9A)
SAM  A7104 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER A6903
ALA B4324
SER A6907
ALA A6905
1.68A21.90
14.05
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w61 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER A6903
ALA A6881
TYR B4349
ALA A6905
1.29A21.90
14.05
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PRO A6878
ALA A6881
SER A6872
ALA A6870
1.55A21.90
14.05
SAM  A7104 (-3.9A)
None
SAM  A7104 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A7039
PHE A7043
ALA A6843
ILE A6838
1.60A20.19
14.05
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6964
ALA A6858
ILE A7079
ASN A7008
1.74A20.19
14.05
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
ALA A6966
VAL A6882
TYR A6845
1.18A
None
None
SAM  A7104 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.66A
MES  B 201 ( 4.5A)
None
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w6y NSP3
(SARS-CoV-2)		3 / 3
ALA A 129
VAL A 142
TYR A 113
1.80A
AMP  A 201 ( 3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w6y NSP3
(SARS-CoV-2)		3 / 3
ALA B 129
VAL B 142
TYR B 113
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.65A
MES  B 201 ( 4.5A)
None
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.64A
MES  B 201 ( 4.5A)
None
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6w6y NSP3
(SARS-CoV-2)		3 / 3
VAL B  41
TYR B  42
GLU B 104
0.79A22.70
15.53
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6w6y NSP3
(SARS-CoV-2)		3 / 3
VAL A  41
TYR A  42
GLU A 104
0.79A22.70
15.53
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.64A
MES  B 201 ( 4.5A)
None
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6w6y NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER C7039
PHE C7043
ALA C6843
ILE C6838
1.63A21.40
15.26
FMT  C7111 ( 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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER C6872
PRO C6878
TYR C6845
SER C6903
1.75A21.30
15.26
SAM  C7105 ( 4.4A)
SAM  C7105 ( 3.9A)
SAM  C7105 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
ALA C6802
TYR C7040
SER C6831
ALA C6997
1.66A21.30
15.26
None
FMT  C7111 ( 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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PHE A7003
SER A6999
ALA A7002
ILE A6969
1.49A21.40
15.26
None
FMT  A7104 ( 2.9A)
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER C6964
ALA C6858
ILE C7079
ASN C7008
1.72A21.40
15.26
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER A7039
PHE A7043
ALA A6843
ILE A6838
1.60A21.40
15.26
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER A6872
PRO A6878
TYR A6845
SER A6903
1.75A21.30
15.26
SAM  A7102 ( 4.6A)
SAM  A7102 ( 3.8A)
SAM  A7102 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER A6903
ALA B4324
SER A6907
ALA A6905
1.68A21.30
15.26
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER C6964
ALA C6960
SER C7074
ALA C6858
1.77A21.30
15.26
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w75 NSP16
(SARS-CoV-2)		3 / 3
ALA C6966
VAL C6882
TYR C6845
1.14A21.24
None
None
SAM  C7105 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER A7039
PRO A6835
ALA A6843
ALA A6832
1.36A21.30
15.26
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PRO A6878
ALA A6881
SER A6872
ALA A6870
1.51A21.30
15.26
SAM  A7102 ( 3.8A)
None
SAM  A7102 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PHE C7003
SER C6999
ALA C7002
ILE C6969
1.49A21.40
15.26
None
FMT  C7108 ( 2.7A)
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER C6903
ALA D4324
SER C6907
ALA C6905
1.60A21.30
15.26
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER A6903
ALA A6881
TYR B4349
ALA A6905
1.28A21.30
15.26
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER C6903
ALA C6881
TYR D4349
ALA C6905
1.30A21.30
15.26
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER A6964
ALA A6960
SER A7074
ALA A6858
1.74A21.30
15.26
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER C7039
PHE C7043
ALA C6843
ILE C6838
1.61A21.40
15.26
FMT  C7111 ( 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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PRO C6878
ALA C6881
SER C6872
ALA C6870
1.50A21.30
15.26
SAM  C7105 ( 3.9A)
None
SAM  C7105 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w75 NSP16
(SARS-CoV-2)		3 / 3
ALA A6966
VAL A6882
TYR A6845
1.14A21.24
None
None
SAM  A7102 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER A7039
PHE A7043
ALA A6843
ILE A6838
1.59A21.40
15.26
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
SER A6964
ALA A6858
ILE A7079
ASN A7008
1.71A21.40
15.26
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w75 NSP16
(SARS-CoV-2)		4 / 7
SER C7039
PRO C6835
ALA C6843
ALA C6832
1.37A21.30
15.26
FMT  C7111 ( 3.2A)
None
None
FMT  C7111 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
MET A 169
PHE A 173
PHE A 304
SER A 245
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wcf NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.61A
MES  A 201 (-4.4A)
None
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6wcf NSP3
(SARS-CoV-2)		3 / 3
VAL A  41
TYR A  42
GLU A 104
0.84A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wcf NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.62A
MES  A 201 (-4.4A)
None
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wcf NSP3
(SARS-CoV-2)		4 / 7
PRO A  98
ALA A 112
TYR A 113
ALA A  39
1.60A
None
None
None
MES  A 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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wcf NSP3
(SARS-CoV-2)		3 / 3
ALA A 129
VAL A 142
TYR A 113
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wcf NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.60A
MES  A 201 (-4.4A)
None
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wcf NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.62A
MES  A 201 (-4.4A)
None
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wen NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wen NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wen NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wen NSP3
(SARS-CoV-2)		6 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
HIS A 138
VAL A 142
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wey NSP3
(SARS-CoV-2)		6 / 12
SER A 332
PRO A 302
GLN A 311
ILE A 310
HIS A 342
VAL A 346
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6wey NSP3
(SARS-CoV-2)		3 / 3
VAL A 245
TYR A 246
GLU A 308
0.80A22.87
15.03
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wey NSP3
(SARS-CoV-2)		6 / 12
SER A 332
PRO A 302
GLN A 311
ILE A 310
HIS A 342
VAL A 346
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wey NSP3
(SARS-CoV-2)		6 / 12
SER A 332
PRO A 302
GLN A 311
ILE A 310
HIS A 342
VAL A 346
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6wey NSP3
(SARS-CoV-2)		6 / 12
SER A 332
PRO A 302
GLN A 311
ILE A 310
HIS A 342
VAL A 346
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wiq NSP8
(SARS-CoV-2)		4 / 8
PHE B 147
ALA B 150
ILE B 120
ASN B 105
1.22A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wiq NSP7
(SARS-CoV-2)		4 / 7
PHE A  49
SER A  10
ALA A  48
ILE A  39
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wiq NSP7
NSP8
(SARS-CoV-2)		4 / 8
SER A  57
ALA B 150
ILE B 120
ASN B 105
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wiq NSP7
(SARS-CoV-2)		4 / 8
PHE A  49
SER A  10
ALA A  48
ILE A  39
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
MET A 317
PRO B 309
TYR B 333
SER A 310
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO F 309
TYR E 333
SER F 312
ALA E 308
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO D 309
TYR C 333
SER D 312
ALA C 308
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE D 315
SER D 318
PHE D 314
ILE C 357
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO C 309
TYR D 333
SER C 312
ALA D 308
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO B 309
ALA B 313
SER A 310
ALA A 308
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO A 309
ALA A 313
SER B 310
ALA B 308
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
MET D 317
PRO C 309
TYR C 333
SER D 310
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
MET F 317
PRO E 309
TYR E 333
SER F 310
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE A 315
SER A 318
PHE A 314
ILE B 357
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO B 309
TYR A 333
SER B 312
ALA A 308
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO F 309
ALA F 313
SER E 310
ALA E 308
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE C 315
SER C 318
PHE C 314
ILE D 357
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO E 309
TYR F 333
SER E 312
ALA F 308
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE C 315
SER C 318
PHE C 314
ILE D 357
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE E 315
SER E 318
PHE E 314
ILE F 357
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE D 315
SER D 318
PHE D 314
ILE C 357
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
MET C 317
PRO D 309
TYR D 333
SER C 310
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO D 309
ALA D 313
SER C 310
ALA C 308
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO E 309
ALA E 313
SER F 310
ALA F 308
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE B 315
SER B 318
PHE B 314
ILE A 357
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO C 309
ALA C 313
SER D 310
ALA D 308
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
MET B 317
PRO A 309
TYR A 333
SER B 310
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO A 309
TYR B 333
SER A 312
ALA B 308
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
ALA C6966
VAL C6882
TYR C6845
1.14A
None
None
SAH  C7102 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER C6903
ALA C6881
TYR D4349
ALA C6905
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER C7039
PRO C6835
ALA C6843
ALA C6832
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER A6903
ALA B4324
SER A6907
ALA A6905
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
ALA A6966
VAL A6882
TYR A6845
1.15A
None
None
SAH  A7102 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER C7039
PHE C7043
ALA C6843
ILE C6838
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
ALA A6802
TYR A7040
SER A6831
ALA A6997
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER C7039
PHE C7043
ALA C6843
ILE C6838
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A6964
ALA A6960
SER A7074
ALA A6858
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
PHE A7003
SER A6999
ALA A7002
ILE A6969
1.49A
None
FMT  A7104 (-3.1A)
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A7039
PHE A7043
ALA A6843
ILE A6838
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER C6903
ALA D4324
SER C6907
ALA C6905
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE C7003
SER C6999
ALA C7002
ILE C6969
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER C6964
ALA C6858
ILE C7079
ASN C7008
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
ALA C6802
TYR C7040
SER C6831
ALA C6997
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A6872
PRO A6878
TYR A6845
SER A6903
1.74A
SAH  A7102 ( 4.6A)
SAH  A7102 (-3.8A)
SAH  A7102 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER A6903
ALA A6881
TYR B4349
ALA A6905
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A7039
PHE A7043
ALA A6843
ILE A6838
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6964
ALA A6858
ILE A7079
ASN A7008
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PRO A6878
ALA A6881
SER A6872
ALA A6870
1.58A
SAH  A7102 (-3.8A)
None
SAH  A7102 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A7039
PRO A6835
ALA A6843
ALA A6832
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER C6964
ALA C6960
SER C7074
ALA C6858
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER C6872
PRO C6878
TYR C6845
SER C6903
1.73A
SAH  C7102 (-4.7A)
SAH  C7102 (-3.8A)
SAH  C7102 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
SER D  78
GLY D  85
GLY D 114
LYS D 143
1.48A15.53
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
PHE A  53
SER A  51
PHE A 110
ILE A 146
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
SER A  78
GLY A  85
GLY A 114
LYS A 143
1.47A15.53
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO C 151
ALA C 152
SER C  51
ALA C 156
1.53A
None
None
None
MES  D 201 ( 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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PRO C 151
ALA D 155
SER C  51
ALA C 156
1.70A
None
None
None
MES  D 201 ( 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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
SER B  78
GLY B  85
GLY B 114
LYS B 143
1.46A15.53
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE A  53
SER A  51
PHE A 110
ILE A 146
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
SER C  78
GLY C  85
GLY C 114
LYS C 143
1.40A15.53
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER C7039
PRO C6835
ALA C6843
ALA C6832
1.36A
FMT  C7111 ( 3.1A)
None
None
FMT  C7111 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wkq NSP16
(SARS-CoV-2)		3 / 3
ALA C6966
VAL C6882
TYR C6845
1.13A
None
None
SFG  C7103 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER A6903
ALA B4324
SER A6907
ALA A6905
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER C6964
ALA C6960
SER C7074
ALA C6858
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wkq NSP16
(SARS-CoV-2)		3 / 3
ALA A6966
VAL A6882
TYR A6845
1.14A
None
None
SFG  A7103 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER A7039
PRO A6835
ALA A6843
ALA A6832
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER C7039
PHE C7043
ALA C6843
ILE C6838
1.62A
FMT  C7111 ( 3.1A)
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER A6964
ALA A6960
SER A7074
ALA A6858
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER C6872
PRO C6878
TYR C6845
SER C6903
1.74A
SFG  C7103 ( 4.5A)
SFG  C7103 ( 3.9A)
SFG  C7103 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
PRO C6878
ALA C6881
SER C6872
ALA C6870
1.51A
SFG  C7103 ( 3.9A)
None
SFG  C7103 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER A6964
ALA A6858
ILE A7079
ASN A7008
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
ALA C6802
TYR C7040
SER C6831
ALA C6997
1.63A
None
FMT  C7111 ( 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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER C6903
ALA D4324
SER C6907
ALA C6905
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER A7039
PHE A7043
ALA A6843
ILE A6838
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER C7039
PHE C7043
ALA C6843
ILE C6838
1.61A
FMT  C7111 ( 3.1A)
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER A7039
PHE A7043
ALA A6843
ILE A6838
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
PRO A6878
ALA A6881
SER A6872
ALA A6870
1.54A
SFG  A7103 ( 3.8A)
None
SFG  A7103 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wkq NSP16
(SARS-CoV-2)		4 / 7
PHE A7003
SER A6999
ALA A7002
ILE A6969
1.49A
None
FMT  A7106 ( 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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
SER C6964
ALA C6858
ILE C7079
ASN C7008
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER A6903
ALA A6881
TYR B4349
ALA A6905
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP10
NSP16
(SARS-CoV-2)		4 / 7
SER C6903
ALA C6881
TYR D4349
ALA C6905
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wkq NSP16
(SARS-CoV-2)		4 / 7
SER A6872
PRO A6878
TYR A6845
SER A6903
1.74A
SFG  A7103 ( 4.5A)
SFG  A7103 ( 3.8A)
SFG  A7103 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER D 128
PRO D  98
ILE D 106
HIS D 138
VAL D 142
1.54A
APR  D 201 (-4.3A)
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
VAL D  41
TYR D  42
GLU D 104
0.93A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.57A
APR  C 201 (-4.4A)
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.61A
APR  A 201 (-4.4A)
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.58A
APR  C 201 (-4.4A)
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.61A
APR  A 201 (-4.4A)
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.56A
APR  C 201 (-4.4A)
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER D 128
PRO D  98
ILE D 106
HIS D 138
VAL D 142
1.54A
APR  D 201 (-4.3A)
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
1.56A
APR  B 201 (-4.5A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA D 154
VAL D 121
TYR D 152
1.62A
APR  D 201 (-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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER D 128
PRO D  98
ILE D 106
HIS D 138
VAL D 142
1.53A
APR  D 201 (-4.3A)
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
VAL C  41
TYR C  42
GLU C 104
0.99A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
1.55A
APR  B 201 (-4.5A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
VAL B  41
TYR B  42
GLU B 104
0.89A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PRO C  98
ALA C 112
TYR C 113
ALA C  39
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PRO A  98
ALA A 112
TYR A 113
ALA A  39
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER D 128
PRO D  98
ILE D 106
HIS D 138
VAL D 142
1.55A
APR  D 201 (-4.3A)
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.62A
APR  A 201 (-4.4A)
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PRO B  98
ALA B 112
TYR B 113
ALA B  39
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
VAL A  41
TYR A  42
GLU A 104
0.93A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA B 154
VAL B 121
TYR B 152
1.64A
APR  B 201 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.57A
APR  C 201 (-4.4A)
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA C 154
VAL C 121
TYR C 152
1.63A
APR  C 201 (-4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.60A
APR  A 201 (-4.4A)
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
1.56A
APR  B 201 (-4.5A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
SER B 128
PRO B  98
ILE B 106
HIS B 138
VAL B 142
1.57A
APR  B 201 (-4.5A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A7039
PHE A7043
ALA A6843
ILE A6838
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A6964
ALA A6960
SER A7074
ALA A6858
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER A6903
ALA A6881
TYR B4349
ALA A6905
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A6872
PRO A6878
TYR A6845
SER A6903
1.74A
SO4  A7109 (-4.5A)
SAH  A7101 (-3.9A)
SAH  A7101 (-4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A7039
PHE A7043
ALA A6843
ILE A6838
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wq3 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		4 / 7
SER A6903
ALA B4324
SER A6907
ALA A6905
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
SER A6964
ALA A6858
ILE A7079
ASN A7008
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PRO A6878
ALA A6881
SER A6872
ALA A6870
1.55A
SAH  A7101 (-3.9A)
None
SO4  A7109 (-4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
SER A7039
PRO A6835
ALA A6843
ALA A6832
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
ALA A6966
VAL A6882
TYR A6845
1.13A
None
None
SAH  A7101 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A7003
SER A6999
ALA A7002
ILE A6969
1.49A
None
GTA  A7102 (-2.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wqd NSP7
(SARS-CoV-2)		4 / 8
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wqd NSP7
(SARS-CoV-2)		4 / 8
PHE A  49
SER A  10
ALA A  48
ILE A  39
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wqd NSP8
(SARS-CoV-2)		4 / 8
PHE D 147
ALA D 150
ILE D 120
ASN D 105
1.22A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wqd NSP8
(SARS-CoV-2)		4 / 8
SER D 151
ALA D 150
ILE D 120
ASN D 105
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wqd NSP7
(SARS-CoV-2)		4 / 7
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wqd NSP8
(SARS-CoV-2)		3 / 3
ALA D 152
VAL D 130
TYR D 149
1.21A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
SER A  57
ALA B 150
ILE B 120
ASN B 105
1.49A
None
EDO  B 302 (-3.7A)
None
EDO  B 301 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
SER C  57
ALA D 150
ILE D 120
ASN D 105
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6wqd NSP7
(SARS-CoV-2)		4 / 7
PHE A  49
SER A  10
ALA A  48
ILE A  39
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wqd NSP8
(SARS-CoV-2)		4 / 8
PHE B 147
ALA B 150
ILE B 120
ASN B 105
1.24A
None
EDO  B 302 (-3.7A)
None
EDO  B 301 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6wrh PEPTIDASE C16
(SARS-CoV-2)		3 / 3
ALA A 153
VAL A  11
TYR A  72
1.56A
None
CL  A 506 (-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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
MET A 169
PHE A 173
PHE A 304
SER A 245
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6xez NSP8
(SARS-CoV-2)		4 / 8
PHE D 147
ALA D 150
ILE D 120
ASN D 105
1.04A18.30
14.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 4
SER B 123
GLY B  15
GLY A  11
LYS A  12
1.45A20.08
GLY  A 401 ( 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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.69A22.75
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
1.36A22.75
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
SER C  57
ALA D 150
ILE D 120
ASN D 105
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
MET A  52
PHE A  49
ALA A  42
ILE A  39
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 7
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
PHE B 147
ALA B 150
ILE B 120
ASN B 105
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
PHE D 147
ALA D 150
ILE D 120
ASN D 105
1.17A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 7
PHE A  49
SER A  10
ALA A  48
ILE A  39
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
SER B 151
ALA B 150
ILE B 120
ASN B 105
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
SER A  57
ALA B 150
ILE B 120
ASN B 105
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 4
SER A  38
GLY A  45
GLY A  74
LYS A 103
1.32A16.55
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
PHE A  70
SER A  38
ILE A  34
ASN A  37
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL E 350
TYR E 423
GLU E 406
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
SER A 530
PRO A 527
ALA A 363
TYR A 365
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL E 350
TYR E 351
GLU E 406
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PHE E 342
SER E 399
ALA E 397
ILE E 358
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE A 456
SER H 119
ALA A 475
ASN A 487
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
PHE A 456
SER H 119
ILE A 472
ASN A 487
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL A 350
TYR A 423
GLU A 406
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL A 350
TYR A 351
GLU A 406
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL E 350
TYR E 351
GLU E 406
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		3 / 3
VAL E 350
TYR E 423
GLU E 406
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.74A
None
None
None
EDO  C 208 ( 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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.67A
EPE  E 202 (-4.6A)
None
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL A 147
TYR A 113
GLU D 114
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL D 147
TYR D 113
GLU A 114
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.61A
EDO  A 202 (-4.3A)
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.60A
EDO  A 202 (-4.3A)
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.61A
None
None
EDO  C 208 ( 4.2A)
EDO  C 208 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.56A
EDO  A 202 (-4.3A)
None
EDO  D 202 (-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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.76A
None
None
None
EDO  C 208 ( 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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
ALA C 129
VAL C 142
TYR C 113
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.62A
EDO  A 202 (-4.3A)
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.66A
EPE  E 202 (-4.6A)
None
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.59A
None
None
EDO  C 208 ( 4.2A)
EDO  C 208 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.60A
None
None
EDO  C 208 ( 4.2A)
EDO  C 208 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.67A
EPE  E 202 (-4.6A)
None
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.60A
None
None
EDO  C 208 ( 4.2A)
EDO  C 208 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.62A
EDO  A 202 (-4.3A)
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.55A
EDO  A 202 (-4.3A)
None
EDO  D 202 (-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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.67A
None
None
EDO  D 204 (-3.9A)
EDO  D 204 (-4.2A)
EDO  D 204 (-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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.56A
EDO  A 202 (-4.3A)
None
EDO  D 202 (-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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.76A
None
None
None
EDO  C 208 ( 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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.66A
EPE  E 202 (-4.6A)
None
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.69A
None
None
EDO  D 204 (-3.9A)
EDO  D 204 (-4.2A)
EDO  D 204 (-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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.74A
None
None
None
EDO  C 208 ( 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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.67A
None
None
EDO  D 204 (-3.9A)
EDO  D 204 (-4.2A)
EDO  D 204 (-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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.67A
None
None
EDO  D 204 (-3.9A)
EDO  D 204 (-4.2A)
EDO  D 204 (-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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.55A
EDO  A 202 (-4.3A)
None
EDO  D 202 (-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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL A 147
TYR A 113
GLU D 114
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.65A
APR  D 201 (-4.3A)
None
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.63A
APR  D 201 (-4.3A)
None
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.66A
APR  A 201 (-4.4A)
None
None
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.71A
APR  B 201 (-4.3A)
None
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.71A
APR  C 201 (-4.4A)
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.57A
APR  C 201 (-4.4A)
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.64A
APR  D 201 (-4.3A)
None
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PRO C  98
ALA C 112
TYR C 113
ALA C  39
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.66A
APR  A 201 (-4.4A)
None
EDO  A 204 ( 4.0A)
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.69A
APR  B 201 (-4.3A)
None
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL C  41
TYR C  42
GLU C 104
0.86A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PRO E  98
ALA E 112
TYR E 113
ALA E  39
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.65A
APR  A 201 (-4.4A)
None
None
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.66A
APR  A 201 (-4.4A)
None
None
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.66A
APR  A 201 (-4.4A)
None
EDO  A 204 ( 4.0A)
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.70A
APR  B 201 (-4.3A)
None
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.69A
APR  E 201 (-4.4A)
None
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PRO A  98
ALA A 112
TYR A 113
ALA A  39
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.59A
APR  C 201 (-4.4A)
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.69A
APR  B 201 (-4.3A)
None
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PRO D  98
ALA D 112
TYR D 113
ALA D  39
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.71A
APR  C 201 (-4.4A)
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PRO B  98
ALA B 112
TYR B 113
ALA B  39
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER D 128
PRO D  98
GLN D 107
ILE D 106
HIS D 138
VAL D 142
1.64A
APR  D 201 (-4.3A)
None
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.67A
APR  E 201 (-4.4A)
None
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.65A
APR  A 201 (-4.4A)
None
None
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.67A
APR  A 201 (-4.4A)
None
EDO  A 204 ( 4.0A)
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.68A
APR  E 201 (-4.4A)
None
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.58A
APR  C 201 (-4.4A)
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
ILE C 106
HIS C 138
VAL C 142
1.58A
APR  C 201 (-4.4A)
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.67A
APR  A 201 (-4.4A)
None
EDO  A 204 ( 4.0A)
EDO  A 204 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER E 128
PRO E  98
GLN E 107
ILE E 106
HIS E 138
VAL E 142
1.68A
APR  E 201 (-4.4A)
None
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.69A
APR  C 201 (-4.4A)
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
VAL C 142
1.69A
APR  C 201 (-4.4A)
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL D 147
TYR D 113
GLU A 114
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
HIS C 138
VAL C 142
1.70A
MES  C 201 (-4.6A)
None
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.63A
MES  A 201 (-4.4A)
None
EDO  C 205 (-3.9A)
EDO  A 205 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL A 147
TYR A 113
GLU C 114
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.64A
None
None
None
EDO  B 204 ( 4.5A)
EDO  B 204 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.70A
MES  A 201 (-4.4A)
None
EDO  A 205 ( 4.3A)
EDO  A 205 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.63A
MES  A 201 (-4.4A)
None
EDO  C 205 (-3.9A)
EDO  A 205 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL B 142
TYR B 113
GLU A  25
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.65A
None
None
None
EDO  B 204 ( 4.5A)
EDO  B 204 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.63A
MES  A 201 (-4.4A)
None
EDO  C 205 (-3.9A)
EDO  A 205 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL C 147
TYR C 113
GLU A 114
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.69A
MES  A 201 (-4.4A)
None
EDO  A 205 ( 4.3A)
EDO  A 205 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.69A
MES  A 201 (-4.4A)
None
EDO  A 205 ( 4.3A)
EDO  A 205 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		3 / 3
VAL A  41
TYR A  42
GLU A 104
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.65A
None
None
None
EDO  B 204 ( 4.5A)
EDO  B 204 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
HIS C 138
VAL C 142
1.69A
MES  C 201 (-4.6A)
None
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.
4YFB_F_PACF601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
ILE A 106
HIS A 138
VAL A 142
1.70A
MES  A 201 (-4.4A)
None
EDO  A 205 ( 4.3A)
EDO  A 205 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
HIS C 138
VAL C 142
1.69A
MES  C 201 (-4.6A)
None
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.
4YFB_I_PACI601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER C 128
PRO C  98
GLN C 107
ILE C 106
HIS C 138
VAL C 142
1.71A
MES  C 201 (-4.6A)
None
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.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		6 / 12
SER B 128
PRO B  98
GLN B 107
ILE B 106
HIS B 138
VAL B 142
1.64A
None
None
None
EDO  B 204 ( 4.5A)
EDO  B 204 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_L_PACL601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
SER A 128
PRO A  98
GLN A 107
ILE A 106
VAL A 142
1.62A
MES  A 201 (-4.4A)
None
EDO  C 205 (-3.9A)
EDO  A 205 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bqy MAIN PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 7
MET A 264
ALA A 211
SER A 254
ALA A 206
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bqy MAIN PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 260
VAL A 212
TYR A 209
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
MET A 755
PHE A 782
ALA A 762
ILE A 757
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7btf NSP12
(SARS-CoV-2)		4 / 7
PRO A 232
TYR A 289
SER A 229
ALA A 199
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7btf NSP12
(SARS-CoV-2)		3 / 3
ALA A 449
VAL A 667
TYR A 674
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7btf NSP12
(SARS-CoV-2)		4 / 7
MET A 615
PHE A 766
PHE A 753
ILE A 779
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7btf NSP12
(SARS-CoV-2)		4 / 7
MET A 666
SER A 343
TYR A 346
ALA A 379
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
ALA A  95
ASN A 215
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP7
NSP8
(SARS-CoV-2)		4 / 8
SER C  57
ALA D 150
ILE D 120
ASN D 105
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B  94
PRO A 378
ALA A 379
ALA A 375
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 652
ALA A 311
ILE A 632
ASN A 314
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ALA A 771
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 10
PRO A 232
CYH A 193
THR A 189
TYR A 237
VAL A 233
1.77A13.78
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
MET B 129
SER A 397
SER A 672
ALA A 399
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A 859
PHE A 419
ALA A 840
ILE A 837
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 782
ALA A 762
ASN A 695
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7btf NSP7
(SARS-CoV-2)		4 / 7
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP8
(SARS-CoV-2)		4 / 8
PHE D 147
ALA D 150
ILE D 120
ASN D 105
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
SER A 778
PHE A 766
SER A 772
ASN A 781
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7btf NSP12
(SARS-CoV-2)		4 / 7
MET A 755
PHE A 782
ALA A 762
ILE A 757
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7btf NSP12
(SARS-CoV-2)		4 / 7
SER A 835
PRO A 834
TYR A 831
SER A 434
1.25A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B 129
SER A 397
SER A 672
ALA A 399
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP7
(SARS-CoV-2)		4 / 8
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 7
PRO B 121
ALA B 125
SER A 397
ALA A 400
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ILE A 779
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7btf NSP12
(SARS-CoV-2)		3 / 3
ALA A 747
VAL A 720
TYR A 719
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7btf NSP12
(SARS-CoV-2)		3 / 3
ALA A 585
VAL A 476
TYR A 479
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET A 666
PRO B 121
ALA A 399
ALA A 379
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
MET A 242
PHE A 287
ILE A 466
ASN A 314
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		3 / 3
ALA A 255
VAL A 212
TYR A 209
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
MET A 615
PHE A 766
PHE A 753
ILE A 779
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
SER A 835
PRO A 834
TYR A 831
SER A 434
1.10A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
SER A 561
ALA A 502
ILE A 562
ASN A 507
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv1 NSP7
(SARS-CoV-2)		4 / 7
PHE C  49
SER C  10
ALA C  48
ILE C  39
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B  94
PRO A 378
ALA A 379
ALA A 375
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
PHE A 766
SER A 778
SER A 772
ALA A 771
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ILE A 779
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ALA A 449
VAL A 667
TYR A 674
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
PRO A 232
CYH A 193
THR A 189
TYR A 237
VAL A 233
1.70A12.61
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ALA A 747
VAL A 720
TYR A 719
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ALA A 699
VAL A 475
TYR A 479
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
SER A 561
ALA A 502
TYR A 515
ALA A 376
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
MET A 566
SER A 520
ALA A 490
ASN A 491
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP8
(SARS-CoV-2)		4 / 8
PHE D 147
ALA D 150
ILE D 120
ASN D 105
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET A 666
PRO B 121
ALA A 399
ALA A 379
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ALA A 195
VAL A 234
TYR A 289
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
ALA A  95
ASN A 215
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
MET A 755
PHE A 782
ALA A 762
ILE A 757
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
MET A 755
PHE A 782
ALA A 762
ILE A 757
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 7
PRO B 121
ALA B 125
SER A 397
ALA A 400
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP7
(SARS-CoV-2)		4 / 8
PHE C  49
SER C  10
ALA C  48
ILE C  39
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP7
NSP8
(SARS-CoV-2)		4 / 8
SER C  57
ALA D 150
ILE D 120
ASN D 105
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B  87
SER A 561
TYR A 515
ALA A 376
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
MET A 242
PHE A 287
ILE A 466
ASN A 314
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 652
ALA A 311
ILE A 632
ASN A 314
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
PHE A 313
PHE A 287
SER A 239
ILE A 466
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
PHE A 859
PHE A 419
ALA A 840
ILE A 837
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
PRO A 232
TYR A 289
SER A 229
ALA A 199
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ALA A 771
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv1 NSP8
(SARS-CoV-2)		4 / 8
SER D 151
ALA D 150
ILE D 120
ASN D 105
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
ALA A 585
VAL A 476
TYR A 479
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 652
ALA A 311
ILE A 632
ASN A 314
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
PHE A 859
PHE A 419
ALA A 840
ILE A 837
1.22A
None
None
U  P  18 ( 3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
SER A 778
PHE A 766
SER A 772
ASN A 781
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
THR A 687
VAL A 557
SER A 681
GLY A 683
GLY A 559
1.76A12.61
F86  P 102 (-3.6A)
U  T  10 ( 4.6A)
None
U  T  10 ( 3.1A)
U  T  10 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 782
ALA A 762
ASN A 695
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
PRO A 232
CYH A 193
THR A 189
TYR A 237
VAL A 233
1.77A12.61
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
MET A 755
PHE A 782
ALA A 762
ILE A 757
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
PHE A 313
PHE A 287
SER A 239
ILE A 466
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ALA A 747
VAL A 720
TYR A 719
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
PRO A 232
TYR A 289
SER A 229
ALA A 199
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ALA A 699
VAL A 475
TYR A 479
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv2 NSP7
(SARS-CoV-2)		4 / 7
PHE C  49
SER C  10
ALA C  48
ILE C  39
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
MET A 615
PHE A 766
PHE A 753
ILE A 779
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ALA A 449
VAL A 667
TYR A 674
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B  87
SER A 561
TYR A 515
ALA A 376
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B 129
SER A 397
SER A 672
ALA A 399
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 859
PHE A 419
ALA A 840
ILE A 837
1.37A
None
None
U  P  18 ( 3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
ALA A  95
ASN A 215
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ALA A 771
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET B  94
PRO A 378
ALA A 379
ALA A 375
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP7
(SARS-CoV-2)		4 / 8
PHE C  49
SER C  10
ALA C  48
ILE C  39
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
MET A 242
PHE A 287
ILE A 466
ASN A 314
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
MET A 615
PHE A 766
PHE A 753
ILE A 779
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
SER A 561
ALA A 502
ILE A 562
ASN A 507
1.60A
None
None
None
U  T   8 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 440
SER A 835
ALA A 550
ILE A 548
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
MET A 666
PRO B 121
ALA A 399
ALA A 379
1.62A
None