Ligand ID: SMX


Drugbank ID:
DB01326
(Cefamandole)


Indication:
For the treatment of serious infections caused by susceptible strains of microorganisms.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'SMX' AND SARS-COV-2 / COVID-19 STRUCTURES

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

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		5r82 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.66A23.21
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.67A19.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
1.45A19.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.70A23.03
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
1.43A23.03
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
1.47A23.03
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.70A23.03
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 282
ALA A 285
THR A 280
GLY C 138
1.46A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU B 282
ALA B 285
THR B 280
GLY D 138
1.45A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU B 242
ALA B 266
THR B 225
GLY B 251
1.47A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
1.48A23.21
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
SER A 301
ASN A 214
THR A 304
GLY A 215
ASP A 216
1.68A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ARG D 108
ALA D  91
THR D  92
GLY D 171
1.29A19.23
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
LEU A 186
ALA A 176
THR A 248
GLY A 214
1.52A14.21
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6m71 NSP12
(SARS-CoV-2)		4 / 5
ILE A 562
ARG A 654
THR A 567
GLU A 658
1.80A14.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
LEU A 673
ALA A 558
THR A 540
GLY A 327
1.53A14.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 150
THR B 123
GLY A 327
PRO B 116
1.43A23.05
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
LEU A 630
ALA A 699
THR A 701
PRO A 627
1.44A14.21
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C 746
ILE C 997
SER C 750
THR C 739
GLY C 744
1.42A12.38
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
LEU B 861
ALA B 766
THR B 768
GLY A 593
1.24A12.38
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU A 164
ALA A  21
GLY A 130
PRO A 136
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU B 160
ALA B  21
GLY B 130
PRO B 136
1.46A
SO4  B 204 (-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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU A 160
ALA A  21
GLY A 130
PRO A 136
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C 721
THR C 723
THR C1066
GLY C1046
GLY A 891
1.44A11.91
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
LEU C 861
ALA C 766
THR C 768
GLY B 593
1.32A11.91
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ILE C 692
THR C 602
GLY C 601
THR C 599
GLY C 311
1.33A11.91
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
ILE C1013
ARG B1019
GLU A 773
GLU A1017
1.71A11.91
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 8
LEU A  64
ARG A  89
ALA A  90
GLY A 170
PRO A 168
1.72A20.00
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
ILE B  94
LYS C  49
GLY C 116
THR C 115
GLY C 114
1.44A20.00
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w02 NSP3
(SARS-CoV-2)		4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
1.22A21.25
None
None
APR  B 201 (-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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ALA C 522
THR C 523
LYS C 333
PRO C 337
1.67A21.05
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
LEU C 387
ALA C 397
GLY H  97
PRO C 384
1.74A21.05
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w4h NSP16
(SARS-CoV-2)		4 / 8
LEU A7004
ALA A6808
TRP A6988
GLY A6983
1.21A21.10
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
LEU A7004
LYS A6814
TRP A6988
GLY A6983
1.58A19.03
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
LEU A7004
ALA A6808
TRP A6988
GLY A6983
1.24A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.69A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU A 160
ALA A 154
GLY A 133
PRO A 136
1.68A20.15
None
AMP  A 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU A 160
ALA A  21
GLY A 130
PRO A 136
1.72A20.15
None
None
AMP  A 201 ( 3.5A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU B 160
ALA B  21
GLY B 130
PRO B 136
1.50A
None
None
MES  B 201 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU A 164
ALA A  21
GLY A 130
PRO A 136
1.18A
None
None
AMP  A 201 ( 3.5A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU B 160
ALA B 124
GLY B 133
PRO B 136
1.76A20.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU B 160
ALA B 154
GLY B 133
PRO B 136
1.60A20.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
1.34A
None
None
MES  B 201 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
LEU C6887
ARG C6884
ALA C6881
TRP C6886
1.79A19.48
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
LEU C7004
ALA C6808
TRP C6988
GLY C6983
1.29A19.48
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
LEU C7004
LYS C6814
TRP C6988
GLY C6983
1.60A19.48
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
LEU A7004
LYS A6814
TRP A6988
GLY A6983
1.49A19.48
None
FMT  A7111 ( 4.7A)
FMT  A7111 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
LEU A7004
ALA A6808
TRP A6988
GLY A6983
1.23A19.48
None
None
FMT  A7111 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
LEU A6887
ARG A6884
ALA A6881
TRP A6886
1.78A19.48
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wcf NSP3
(SARS-CoV-2)		4 / 8
LEU A 160
ALA A  21
GLY A 130
PRO A 136
1.22A
None
None
MES  A 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wen NSP3
(SARS-CoV-2)		4 / 8
LEU A 164
ALA A  21
GLY A 130
PRO A 136
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER F 312
ASN E 269
THR E 296
GLY E 295
THR E 265
1.46A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE A 304
SER B 312
GLY B 316
GLY A 287
ASP A 288
1.66A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER E 312
ASN F 269
THR F 296
GLY F 295
THR F 265
1.51A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE B 304
SER A 312
GLY A 316
GLY B 287
ASP B 288
1.70A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE E 304
SER F 312
GLY F 316
GLY E 287
ASP E 288
1.71A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER B 312
ILE A 304
GLY B 316
GLY A 287
ASP A 288
1.66A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE D 304
SER C 312
GLY C 316
GLY D 287
ASP D 288
1.69A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER C 312
ILE D 304
GLY C 316
GLY D 287
ASP D 288
1.71A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER B 312
ASN A 269
THR A 296
GLY A 295
THR A 265
1.50A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE C 304
SER D 312
GLY D 316
GLY C 287
ASP C 288
1.64A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER E 312
ILE F 304
GLY E 316
GLY F 287
ASP F 288
1.66A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER D 312
ILE C 304
GLY D 316
GLY C 287
ASP C 288
1.66A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER F 312
ILE E 304
GLY F 316
GLY E 287
ASP E 288
1.68A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER D 312
ASN C 269
THR C 296
GLY C 295
THR C 265
1.54A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER C 312
ASN D 269
THR D 296
GLY D 295
THR D 265
1.51A19.03
None
None
CL  D 401 ( 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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
ILE F 304
SER E 312
GLY E 316
GLY F 287
ASP F 288
1.66A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER A 312
ILE B 304
GLY A 316
GLY B 287
ASP B 288
1.66A19.03
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
SER A 312
ASN B 269
THR B 296
GLY B 295
THR B 265
1.52A19.03
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
LEU C7004
LYS C6814
TRP C6988
GLY C6983
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
LEU A7004
ALA A6808
TRP A6988
GLY A6983
1.22A
None
None
FMT  A7105 (-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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
LEU A7004
LYS A6814
TRP A6988
GLY A6983
1.47A
None
FMT  A7105 ( 4.9A)
FMT  A7105 (-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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
LEU C7004
ALA C6808
TRP C6988
GLY C6983
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
LEU C 104
ARG C 107
THR C  57
GLY D 114
1.47A
None
MES  D 201 (-4.5A)
ZN  D 202 ( 4.7A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ARG C 107
ALA C  90
THR C  91
GLY C 170
1.55A
MES  D 201 (-4.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 8
LEU D  64
ARG D  89
ALA D  90
GLY D 170
PRO D 168
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 8
LEU D 104
ALA D  55
THR D  57
GLY A 114
PRO A 142
1.35A
None
None
ZN  A 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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
LYS D  49
THR D 148
GLY D 116
THR D 115
GLY D 114
1.78A18.35
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ARG D 107
ALA D  90
THR D  91
GLY D 170
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 8
LEU B 104
ALA B  55
THR B  57
GLY C 114
PRO C 142
1.45A
None
None
ZN  C 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 8
LEU B  64
ARG B  89
ALA B  90
GLY B 170
PRO B 168
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 8
LEU C  64
ARG C  89
ALA C  90
GLY C 170
PRO C 168
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 8
LEU B 104
ARG B 107
THR B  57
GLY C 114
PRO C 142
1.79A
None
None
ZN  C 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 8
LEU A  64
ARG A  89
ALA A  90
GLY A 170
PRO A 168
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
LEU C7004
ALA C6808
TRP C6988
GLY C6983
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
LEU A7004
ALA A6808
TRP A6988
GLY A6983
1.23A
None
None
FMT  A7107 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
LEU A7004
LYS A6814
TRP A6988
GLY A6983
1.50A
None
FMT  A7107 ( 4.8A)
FMT  A7107 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU B 160
ALA B  21
GLY B 130
PRO B 136
1.48A
None
None
APR  B 201 (-3.3A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 164
ALA A  21
GLY A 130
PRO A 136
1.20A
None
None
APR  A 201 (-3.5A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU D 164
ALA D  21
GLY D 130
PRO D 136
1.23A
None
None
APR  D 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU C 160
ALA C  21
GLY C 130
PRO C 136
1.45A
None
None
APR  C 201 (-3.0A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 160
ALA A  21
GLY A 130
PRO A 136
1.43A
None
None
APR  A 201 (-3.5A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU D 160
ALA D  21
GLY D 130
PRO D 136
1.47A
None
None
APR  D 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU C 164
ALA C  21
GLY C 130
PRO C 136
1.25A
None
None
APR  C 201 (-3.0A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
1.23A
None
None
APR  B 201 (-3.3A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 8
LEU A7052
ALA A7056
THR A7055
GLY A6890
PRO A6888
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
LEU A7004
ALA A6808
TRP A6988
GLY A6983
1.24A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
LEU A  20
ALA B  81
THR B  84
LYS A  70
1.06A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
LEU C  20
ALA D  81
THR D  84
LYS C  70
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 8
LEU A  20
ALA B  81
THR B  84
GLY A  64
1.24A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
1.45A19.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ILE D 106
SER C  54
ASN D 100
ARG D 190
ASP D 101
1.45A18.05
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
LEU C  20
ALA D  81
THR D  84
LYS C  70
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.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ILE B 106
SER A  54
ASN B 100
ARG B 190
ASP B 101
1.47A18.05
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
LEU A  20
ALA B  81
THR B  84
LYS A  70
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 8
ARG A  67
ALA A  50
THR A  51
GLY A  20
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.70A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.68A23.21
None
PEG  A 404 (-3.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A 164
ALA A  21
GLY A 130
PRO A 136
1.19A
None
None
EDO  A 202 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU E 164
ALA E  21
GLY E 130
PRO E 136
1.15A
None
None
EPE  E 202 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D 164
ALA D  21
GLY D 130
PRO D 136
1.27A
None
None
EDO  D 205 ( 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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D 160
ALA C  60
GLY D 133
PRO D 136
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C 164
ALA C  21
GLY C 130
PRO C 136
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D 160
ALA D  21
GLY D 130
PRO D 136
1.44A
None
None
APR  D 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU E 160
ALA E  21
GLY E 130
PRO E 136
1.44A
None
None
APR  E 201 (-3.2A)
EDO  B 202 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D 164
ALA D  21
GLY D 130
PRO D 136
1.33A
None
None
APR  D 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B 160
ALA B  21
GLY B 130
PRO B 136
1.47A
None
None
APR  B 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
1.29A
None
None
APR  B 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C 164
ALA C  21
GLY C 130
PRO C 136
1.25A
None
None
APR  C 201 (-3.2A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A 164
ALA A  21
GLY A 130
PRO A 136
1.24A
None
None
APR  A 201 ( 3.2A)
EDO  A 205 ( 4.9A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU E 164
ALA E  21
GLY E 130
PRO E 136
1.23A
None
None
APR  E 201 (-3.2A)
EDO  B 202 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU D 160
ALA C  60
GLY D 133
PRO D 136
1.29A
None
EDO  D 204 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A 160
ALA A  21
GLY A 130
PRO A 136
1.48A
None
None
APR  A 201 ( 3.2A)
EDO  A 205 ( 4.9A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A 160
ALA A  21
GLY A 130
PRO A 136
1.48A
None
None
MES  A 201 (-3.1A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C 160
ALA C  21
GLY C 130
PRO C 136
1.51A
EDO  C 203 (-3.7A)
None
MES  C 201 (-3.3A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU C 164
ALA C  21
GLY C 130
PRO C 136
1.39A
None
None
MES  C 201 (-3.3A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
LEU A 164
ALA A  21
GLY A 130
PRO A 136
1.26A
None
None
MES  A 201 (-3.1A)
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bqy MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		4 / 8
LEU C   4
ALA A 191
THR A 190
GLY A 174
1.33A
PJE  C   5 ( 4.1A)
02J  C   1 ( 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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.75A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
ALA A 400
THR A 402
GLY A 503
PRO A 505
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 150
THR B 123
GLY A 327
PRO B 116
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
LEU A 630
ALA A 699
THR A 701
PRO A 627
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 125
THR B 124
GLY A 327
PRO B 116
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
LEU A 749
ARG A 750
ALA A 585
THR A 586
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
LEU A 630
ALA A 702
THR A 701
PRO A 627
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		7btf NSP12
(SARS-CoV-2)		4 / 5
ILE A 579
ARG A 631
THR A 686
GLU A 658
1.49A14.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
LEU A  19
ALA A   4
THR A  24
GLY A  13
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
LEU A 186
ALA A 176
THR A 248
GLY A 214
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.72A23.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
LEU A 242
ALA A 266
THR A 225
GLY A 251
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
ILE A 562
ARG A 654
THR A 567
GLU A 658
1.67A14.21
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
LEU A 673
ALA A 558
THR A 540
GLY A 327
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
LEU A 630
ALA A 699
THR A 701
PRO A 627
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 150
THR B 123
GLY A 327
PRO B 116
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
LEU A 749
ARG A 750
ALA A 585
THR A 586
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
ALA B 150
THR B 123
GLY A 327
PRO B 116
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
LEU A 630
ALA A 702
THR A 701
PRO A 627
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
LEU A 186
ALA A 176
THR A 248
GLY A 214
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
LEU A 673
ALA A 558
THR A 540
GLY A 327
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
LEU A 630
ALA A 699
THR A 701
PRO A 627
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
LEU A 749
ARG A 750
ALA A 585
THR A 586
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
LEU A 829
ALA A 878
THR A 870
GLY A 823
1.52A
None