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'

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


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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		3 / 3
VAL B 233
TYR B 237
GLU B 270
1.79A22.12
10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 4
SER B 123
GLY B  15
GLY A  11
LYS A  12
1.40A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 10
PRO B  39
CYH B 145
SER B 144
VAL B  20
GLY B  29
1.71A20.59
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER D 924
SER F 919
ALA D1171
ASN D1168
1.23A17.81
14.29
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 125
TYR A 126
GLU A  14
1.72A22.48
10.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER B1121
GLY B1015
GLY A  11
LYS A  12
1.58A20.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B1147
ALA B1145
SER B1121
ALA B1116
1.36A21.85
20.43
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ALA B1260
VAL B1212
TYR B1209
1.22A21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.47A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		3 / 3
ALA C 336
VAL C 346
TYR C 343
0.98A21.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
SER B 310
PRO B 280
GLN B 289
ILE B 288
VAL B 324
1.75A15.94
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)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 7
MET H  75
SER C  31
ALA H  68
SER C  29
1.40A20.43
17.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 8
PHE G 152
ALA G 155
ILE G 125
ASN G 110
1.14A20.52
17.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		3 / 3
ALA F 157
VAL F 135
TYR F 154
1.28A21.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		2ajf ACE2
(Homo
sapiens)		4 / 8
MET A 557
PHE A 525
ALA A 396
ASN A 397
1.40A17.76
21.89
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		2c3s 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 125
TYR A 126
GLU A  14
1.66A21.85
10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.39A19.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ALA S 398
VAL S 337
TYR S 410
0.84A21.03
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 10
THR H  33
TYR L  96
SER H  35
GLY H  50
GLY H  49
1.80A21.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
SER H 136
PRO H 126
VAL H 182
TRP H 154
VAL H 181
1.67A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER L 166
SER L 138
ALA L 176
ILE L 137
1.38A23.58
17.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		2duc REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.35A19.96
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		3 / 3
ALA A 155
VAL A 165
TYR A 162
0.94A17.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 8
PHE B  19
PHE K  19
ALA B  18
ILE B  81
1.38A17.84
14.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		4 / 7
PHE B  19
PHE K  19
ALA B  18
ILE B  81
1.44A17.84
14.90
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 10
THR A  68
SER A  67
VAL A   3
GLY A   1
GLY A   1
1.41A20.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		3 / 3
ALA D 151
VAL D 217
TYR D 218
1.15A22.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ALA A 398
VAL A 337
TYR A 410
0.92A20.28
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		3 / 3
VAL B  64
TYR B  60
GLU B  46
1.16A22.18
12.55
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		2gri NSP3
(SARSr)		3 / 3
VAL A  45
TYR A  19
GLU A  53
1.25A21.18
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 125
TYR A 126
GLU A  14
1.70A22.44
11.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2idy NSP3
(SARSr-CoV)		3 / 3
ALA A  55
VAL A  22
TYR A  43
1.00A21.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr)		4 / 8
PHE A  32
SER A  51
ALA A  33
ASN A  37
1.05A21.69
10.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		2ofz NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		4 / 4
SER A  79
GLY A  86
GLY A 115
LYS A 144
1.49A15.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		2og3 NUCLEOCAPSID PROTEIN
(SARS-COV
Tor2)		3 / 3
VAL A 132
TYR A  88
GLU A  64
1.18A21.95
16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 4
SER B 123
GLY B  15
GLY A  11
LYS A  12
1.35A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
VAL B  40
TYR B  32
GLU A 266
1.28A21.51
10.03
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
ALA B 217
VAL B 236
TYR B 237
1.17A21.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.46A19.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.39A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 125
TYR A 126
GLU A  14
1.75A21.85
10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 10
PRO F  65
THR E 281
VAL F 172
SER E 287
GLY E 243
1.65A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
PHE A 302
PHE A 329
ILE A 235
HIS A 249
VAL A 294
1.66A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.50A19.96
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
ALA A 168
VAL A  84
TYR A  47
1.16A23.23
None
None
SAH  A1293 (-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)		2xyq NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
SER A 105
ALA A  83
TYR B  96
ALA A 107
1.31A20.93
18.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
ALA A 168
VAL A  84
TYR A  47
1.12A23.23
None
None
SFG  A1298 (-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)		2xyr NSP10
PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
SER A 105
ALA A  83
TYR B  96
ALA A 107
1.34A20.79
18.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.45A19.96
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3bgf F26G19 FAB
(Mus
musculus)		3 / 3
ALA H  67
VAL H 109
TYR H  90
1.15A22.03
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
SER H 204
PRO H 202
ALA H 200
ALA H 118
1.37A20.51
19.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		3bgf F26G19 FAB
(Mus
musculus)		3 / 3
VAL B  89
TYR B  90
GLU C  38
1.63A22.03
13.70
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
MET A 557
PHE A 525
ALA A 396
ASN A 397
1.37A17.76
21.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		3d0h ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
PRO E 493
THR E 486
SER E 487
TYR A  41
GLY E 434
1.43A20.56
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ALA B 569
VAL B 212
TYR B 215
0.57A14.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 10
PRO E 493
THR E 486
SER E 487
TYR A  41
GLY E 434
1.40A20.97
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.45A19.71
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL B 233
TYR B 237
GLU B 270
1.79A21.52
10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 8
MET C 101
SER C   5
SER C  35
ALA C   8
1.37A19.62
12.70
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
MET C 101
SER C   5
SER C  35
ALA C   8
1.31A19.62
12.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
MET C 101
PRO C   6
ALA D 107
SER C  35
1.51A20.10
12.70
None
PO4  C 122 (-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_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
ALA A 139
VAL A 114
TYR A 126
1.16A22.70
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.49A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.46A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3i6g HLA, A-2
(Homo
sapiens)		3 / 3
ALA D 139
VAL D  95
TYR D 118
1.13A22.66
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)		3i6g HLA, A-2
MEMBRANE PROTEIN
(Homo
sapiens)		4 / 7
SER F   5
TYR D  99
SER D  71
ALA D  69
1.38A7.20
1.66
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)		3i6k HLA, A-2
MEMBRANE
GLYCOPROTEIN PEPTIDE
(Homo
sapiens;
SARS-COV
TJF)		4 / 7
ALA G   2
TYR E  99
SER E  71
ALA E  69
1.38A14.52
2.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.41A20.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B   1
SER B 301
ALA B 214
ILE B 213
1.44A19.93
20.43
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A 125
TYR A 126
GLU A  14
1.67A22.70
10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER A 123
GLY A  15
GLY B  11
LYS B  12
1.53A19.79
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		4 / 7
SER A 105
ALA A  83
TYR B  96
ALA A 107
1.28A21.43
19.43
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		3 / 3
ALA A 168
VAL A  84
TYR A  47
1.16A21.70
None
None
SAM  A 302 (-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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		3sci ACE2
(Homo
sapiens)		4 / 8
SER A 155
ALA A 153
ILE A 151
ASN A 277
1.23A17.76
21.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		3 / 3
ALA A 569
VAL A 212
TYR A 215
0.58A14.05
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)		3snc 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
PHE A 305
SER A   1
SER A 301
ASN A 214
1.35A19.93
20.43
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER B 123
GLY B  15
GLY A  11
LYS A  12
1.49A20.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 4
SER B 123
GLY B  15
GLY A  11
LYS A  12
1.33A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE B 111
PHE B  89
ILE B  87
VAL B 167
VAL B 236
1.75A23.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		3 / 3
ALA C  20
VAL D  66
TYR D  64
0.93A19.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
ALA B  79
VAL B 421
TYR B 296
1.20A15.75
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_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
VAL D 466
TYR D 465
GLU B 345
1.35A15.75
7.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
PHE B 384
ALA B 396
ILE B 397
ASN B 395
1.21A17.37
22.31
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
VAL D 466
TYR D 465
GLU B 345
1.51A15.72
7.94
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.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 10
CYH B  11
THR B 103
SER B  56
GLY B 102
GLY A  -1
1.78A20.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
PHE B 384
ALA B 396
ILE B 397
ASN B 395
1.28A17.37
22.31
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE B 111
PHE B  89
ILE B  87
VAL B 167
VAL B 236
1.72A23.46
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_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		3 / 3
ALA D  79
VAL D 421
TYR D 296
1.18A15.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
PHE D  80
SER D 156
ALA D 150
ILE D 152
1.45A18.50
21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5f22 NSP8
(SARSr-CoV)		4 / 8
PHE B 152
ALA B 155
ILE B 125
ASN B 110
1.20A25.41
12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
PHE C 384
ALA C 396
ILE C 397
ASN C 395
1.10A17.37
22.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		3 / 3
ALA P  20
VAL C  66
TYR C  64
0.82A17.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
SER A 299
PHE A  40
ILE A 132
HIS A  91
VAL A  33
1.55A21.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
PHE A 147
PHE A 313
ALA A 146
ILE A 296
1.34A20.24
18.97
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 7
PHE A 147
PHE A 313
ALA A 146
ILE A 296
1.36A20.24
18.62
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
PHE C  47
SER B 561
PHE B 545
ILE C  46
1.46A12.01
18.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
PRO A1051
ALA B 872
TYR A1029
ALA B 875
1.03A11.11
18.90
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)		5x59 S PROTEIN
(MERS-CoV)		4 / 7
MET B 943
SER A 761
PRO A 739
ALA A 763
1.44A9.78
17.94
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		5x5c S PROTEIN
(MERS-CoV)		4 / 7
PHE C 147
PHE C 313
ALA C 146
ILE C 296
1.36A9.69
17.94
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)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
SER C 435
SER B 508
ALA C 432
ASN C 436
1.31A9.69
17.94
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.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
SER C 299
PHE C  40
ILE C 132
HIS C  91
VAL C  33
1.56A19.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 4
SER B 856
GLY B 963
GLY B 959
LYS B1108
1.54A16.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		5x5f S PROTEIN
(MERS-CoV)		5 / 10
THR B 791
MET B1008
VAL B1124
GLY B 789
GLY B1140
1.67A10.43
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ALA B 813
VAL B 842
TYR B 819
1.12A9.15
ALA  B 813 ( 0.0A)
VAL  B 842 ( 0.6A)
TYR  B 819 ( 1.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PRO C1051
ALA B 872
TYR C1029
ALA B 874
1.12A11.47
19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
ALA C 398
VAL C 337
TYR C 410
0.82A9.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PHE C 168
SER C 165
ALA C 167
ASN C 122
1.16A11.96
19.27
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 10
THR C 624
SER C 623
TYR C 622
VAL C 594
GLY C 638
1.67A11.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE B  47
SER C 561
PHE C 545
ILE B  46
1.16A11.96
19.52
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 4
SER C1012
GLY C 873
GLY A1028
LYS A1027
1.55A16.62
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
VAL C 583
TYR C 300
GLU C 285
1.39A9.67
4.47
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6ack ACE2
(Homo
sapiens)		3 / 3
ALA D 569
VAL D 212
TYR D 215
0.60A14.05
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
SER B1012
GLY B 873
GLY A1028
LYS A1027
1.63A16.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
PHE A  47
SER C 561
PHE C 545
ILE A  46
1.44A10.73
18.78
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
PRO B1051
ALA C 872
TYR B1029
ALA C 875
1.16A10.87
18.88
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 4
SER B1012
GLY B 873
GLY A1028
LYS A1027
1.40A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
PHE B 262
PHE B  62
ALA B 275
ILE B 272
1.35A12.49
19.11
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_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
VAL B 642
TYR B 677
GLU B 640
1.49A9.12
4.82
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
ALA A 398
VAL A 337
TYR A 410
0.74A9.12
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
PHE C 909
PHE C 782
ILE C 702
ASN C 907
1.24A12.49
18.87
None
None
None
NAG  C1314 (-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)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
SER B 386
PRO B 335
TYR B 438
ALA B 331
1.38A10.98
19.22
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
SER A 143
ALA A 139
TYR A  85
SER A  77
1.50A22.34
20.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IXL_A_PACA5000_0
(ARYLMALONATE
DECARBOXYLASE)		6jyt HELICASE
(SARSr-CoV)		5 / 10
PRO B 284
TYR B 541
VAL B 563
SER B 539
GLY B 538
1.68A17.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
PRO B 284
PHE B 437
GLN B 281
VAL B 452
VAL B 456
1.71A23.28
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6jyt HELICASE
(SARSr-CoV)		3 / 3
ALA B 296
VAL B 266
TYR B 269
1.12A15.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6lzg ACE2
(Homo
sapiens)		3 / 3
ALA A 569
VAL A 212
TYR A 215
0.72A14.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6m17 ACE2
(Homo
sapiens)		3 / 3
ALA B 569
VAL B 212
TYR B 215
0.53A11.96
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 10
PRO A 442
THR A 121
SER A 122
GLY A 284
GLY A 285
1.47A17.47
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6m1d ACE2
(Homo
sapiens)		4 / 8
PHE D  40
PHE D 390
ALA D  36
ASN D  33
1.36A14.02
21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m1d ACE2
(Homo
sapiens)		4 / 7
MET D 366
SER D 411
ALA D 413
ILE D 291
1.33A14.02
21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
MET A  71
PHE A  74
SER A 314
PHE A  58
1.37A14.17
20.35
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6m1d ACE2
(Homo
sapiens)		4 / 7
PRO D 389
ALA D 387
SER D 563
ALA D 384
1.46A14.53
21.09
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 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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
VAL C 583
TYR C 300
GLU C 285
1.19A8.88
4.57
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)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE B  47
SER C 561
PHE C 545
ILE B  46
1.45A12.44
19.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PRO B1051
ALA A 872
TYR B1029
ALA A 875
1.08A10.50
19.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YFB_C_PACC601_0
(PROTEIN RELATED TO
PENICILLIN ACYLASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
PRO L 101
TRP L  99
PHE H 107
HIS H  35
VAL H  50
1.70A16.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		3 / 3
ALA H 150
VAL H 225
TYR H 208
1.10A21.12
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		3 / 3
VAL L 168
TYR L 178
GLU L 166
1.56A18.86
17.57
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		3 / 3
ALA L  19
VAL L  90
TYR L  91
1.11A18.86
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)		6nur NSP8
(SARSr-CoV)		4 / 8
PHE D 147
ALA D 150
ILE D 120
ASN D 105
1.25A20.09
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6nur NSP12
(SARSr-CoV)		4 / 8
PHE A 859
PHE A 419
ALA A 840
ILE A 837
1.39A12.00
21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6nur NSP12
(SARSr-CoV)		4 / 7
SER A 835
PRO A 834
TYR A 831
SER A 434
1.38A12.18
21.75
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6nur NSP12
(SARSr-CoV)		4 / 7
PHE A 859
PHE A 419
ALA A 840
ILE A 837
1.25A12.00
21.75
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)		6nur NSP12
(SARSr-CoV)		3 / 3
ALA A 449
VAL A 667
TYR A 674
1.22A11.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6nur NSP12
NSP8
(SARSr-CoV)		4 / 7
PRO B 121
ALA B 125
SER A 397
ALA A 400
1.46A20.43
16.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
PHE H 146
SER H 113
SER H 173
ALA H 114
1.77A21.27
14.11
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
PHE H 146
SER H 112
SER H 173
ALA H 114
1.70A21.27
14.11
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 4
SER H  74
GLY H  26
GLY H  24
LYS H  23
1.77A15.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
ALA L  19
VAL L  85
TYR L  86
1.15A19.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
ALA H 136
VAL H 211
TYR H 194
1.27A23.12
None
Potential target for repurposing, i.e. matched protein structure has less than 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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
PHE H 146
SER H 112
SER H 173
ALA H 114
1.66A21.27
14.11
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.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
SER H 113
ALA H  84
SER H 173
ALA H 114
1.71A21.27
14.11
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)		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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 4
SER B  75
GLY B  26
GLY B  24
LYS B  23
1.66A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
ALA B 141
VAL B 215
TYR B 198
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
ALA C  19
VAL C  91
TYR C  92
1.14A
None
1PE  C 301 (-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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
ALA B 140
VAL B 215
TYR B 198
1.23A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
ALA H 140
VAL H 215
TYR H 198
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
ALA H 141
VAL H 215
TYR H 198
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 LIGHT CHAIN
(Homo
sapiens)		3 / 3
VAL C 169
TYR C 179
GLU C 167
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_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
VAL L 169
TYR L 179
GLU L 167
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
ALA C  40
VAL C  29
TYR C  38
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yla LIGHT CHAIN
(Homo
sapiens)		3 / 3
ALA L  19
VAL L  91
TYR L  92
1.13A
None
1PE  L1603 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 4
SER H  75
GLY H  26
GLY H  24
LYS H  23
1.68A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6ym0 LIGHT CHAIN
(Homo
sapiens)		3 / 3
ALA L 150
VAL L 116
TYR L 146
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.
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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 4
SER H  75
GLY H  26
GLY H  24
LYS H  23
1.70A19.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ym0 LIGHT CHAIN
(Homo
sapiens)		3 / 3
ALA L  40
VAL L  29
TYR L  38
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)		6ym0 LIGHT CHAIN
(Homo
sapiens)		3 / 3
ALA L  19
VAL L  91
TYR L  92
1.11A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ym0 HEAVY CHAIN
(Homo
sapiens)		3 / 3
ALA H 140
VAL H 215
TYR H 198
1.13A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ym0 LIGHT CHAIN
(Homo
sapiens)		3 / 3
VAL L 169
TYR L 179
GLU L 167
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.
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
VAL C 169
TYR C 179
GLU C 167
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)		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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
ALA B 140
VAL B 215
TYR B 198
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 4
SER B  75
GLY B  26
GLY B  24
LYS B  23
1.68A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
ALA B 141
VAL B 215
TYR B 198
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
ALA L  19
VAL L  91
TYR L  92
1.11A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor IGG L CHAIN
(Homo
sapiens)		3 / 3
ALA C  19
VAL C  91
TYR C  92
1.12A
None
Potential target for repurposing, i.e. matched protein structure has less than 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_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
ALA H 141
VAL H 215
TYR H 198
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
ALA H 140
VAL H 215
TYR H 198
1.19A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 4
SER H  75
GLY H  26
GLY H  24
LYS H  23
1.69A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 IGG L CHAIN
(Homo
sapiens)		3 / 3
VAL L 169
TYR L 179
GLU L 167
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.
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