Ligand ID: PAC


Drugbank ID:
DB09269
(Phenylacetic acid)


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

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

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

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
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.
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.
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.
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.
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.
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.
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_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.
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.
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_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.
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.
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_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 IGG L CHAIN
(Homo
sapiens)		3 / 3
VAL L 169
TYR L 179
GLU L 167
1.55A
None