Ligand ID: VK3


Drugbank ID:
DB00170
(Menadione)


Indication:
The primary known function of vitamin K is to assist in the normal clotting of blood, but it may also play a role in normal bone calcification.

Get human targets for VK3 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'VK3' 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6lu7 MAIN PROTEASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.50A22.78
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 6
PHE A 927
PHE C 927
GLY C 932
ASN C 928
1.53A18.80
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		4 / 7
TYR F 917
LEU F 916
ASN D 919
TYR D 917
1.62A23.65
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.57A22.68

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.56A22.68

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
PHE B 291
PHE B   3
GLY B 283
ASN B 214
1.56A22.78

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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
PHE D 291
PHE D   3
GLY D 283
ASN D 214
1.66A22.78

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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.55A22.78

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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 6
PHE C 291
PHE C   3
GLY C 283
ASN C 214
1.58A22.78

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.
4F8Y_A_VK3A202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 5
TYR A 237
TYR A 238
LEU A 241
TRP A 216
1.65A12.31
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.
4F8Y_D_VK3D202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 5
TRP A 216
TYR A 237
TYR A 238
LEU A 241
1.72A12.31
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 7
TYR A 237
TYR A 238
LEU A 241
TRP A 216
1.67A12.31
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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 6
ASN A 705
ARG A 132
TYR A 732
LEU A 731
1.57A12.31
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6m71 NSP12
(SARS-CoV-2)		4 / 6
PHE A 192
GLY A 200
GLY A 230
ASN A 198
1.64A13.38

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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 7
ARG A 132
TYR A 732
LEU A 731
ASN A 705
1.44A12.31
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE C 802
GLY C 798
GLY C 799
ASN C 928
1.55A10.86
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
TYR B  91
LEU B  56
ASN B  30
TYR B  28
1.68A10.18
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TRP B 353
GLY C 232
GLY C 199
PHE B 464
1.58A10.86
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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 6
ASN B 178
TYR B 325
TYR B 179
LEU B 190
1.61A21.49
ACY  B 407 (-3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
TYR B 325
TYR B 179
LEU B 190
ASN B 178
1.53A21.49
None
None
None
ACY  B 407 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  51
ASN B  37
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  46
ASN A  40
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  51
ASN A  37
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  46
GLY A  51
ASN A  37
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
1.56A
None
None
SO4  A 201 ( 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE B 116
GLY B  78
GLY B  79
ASN B 115
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxs NSP3
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  46
ASN B  40
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 5
TRP C 353
GLY A 232
GLY A 199
PHE C 464
1.66A10.62
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE C 802
GLY C 798
GLY C 799
ASN C 801
1.44A10.62
None
None
None
NAG  C1314 (-1.9A)
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE A 802
GLY A 798
GLY A 799
ASN A 928
1.45A10.54
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
GLY B 248
GLY B 247
PHE B 264
PHE B 241
1.63A21.81
CIT  B 408 (-3.5A)
CIT  B 408 (-3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w02 NSP3
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
1.32A21.81
APR  B 201 (-3.5A)
APR  B 201 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 6
PHE C 497
GLY C 504
GLY C 502
ASN C 501
1.65A23.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
1.32A21.90
MES  B 201 ( 3.4A)
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE B 116
GLY B  97
GLY B  78
ASN B 115
1.79A21.90
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  51
ASN A  37
1.71A21.90
AMP  A 201 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE B 116
GLY B  78
GLY B  79
ASN B 115
1.58A21.90
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
1.59A21.90
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  51
ASN B  37
1.44A21.90
MES  B 201 ( 3.4A)
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  46
ASN A  40
1.44A21.90
AMP  A 201 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  46
GLY A  51
ASN A  37
1.56A21.90
AMP  A 201 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6w6y NSP3
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  46
ASN B  40
1.78A21.90
MES  B 201 ( 3.4A)
None
None
MES  B 201 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TYR C  83
TYR C  56
LEU C  87
TYR C  95
1.76A21.17
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
GLU B  67
LEU B  16
TYR B  56
ILE B  14
1.53A16.67
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
GLU A  67
LEU A  16
TYR A  56
ILE A  14
1.48A16.67
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
TYR B  83
TYR B  56
LEU B  87
TYR B  95
1.71A21.17
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
GLU A  67
HIS A  17
LEU A  16
ILE A  14
1.45A16.67
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
HIS A 175
LEU A 132
TYR A  72
ILE A 151
1.55A16.67
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wcf NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  46
GLY A  51
ASN A  37
1.33A
MES  A 201 (-2.5A)
MES  A 202 (-4.7A)
MES  A 202 (-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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wcf NSP3
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wcf NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  51
ASN A  37
1.45A
MES  A 201 (-2.5A)
MES  A 202 (-3.4A)
MES  A 202 (-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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wen NSP3
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  46
ASN A  40
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wen NSP3
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wey NSP3
(SARS-CoV-2)		4 / 6
PHE A 336
GLY A 251
GLY A 255
ASN A 241
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wey NSP3
(SARS-CoV-2)		4 / 6
PHE A 336
GLY A 251
GLY A 250
ASN A 244
1.46A20.25
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wey NSP3
(SARS-CoV-2)		4 / 6
PHE A 320
GLY A 282
GLY A 283
ASN A 319
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wey NSP3
(SARS-CoV-2)		4 / 6
PHE A 336
GLY A 250
GLY A 255
ASN A 241
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
GLY B 248
GLY B 247
PHE B 264
PHE B 241
1.67A22.88
U5P  B 401 ( 4.4A)
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
TYR B 325
TYR B 179
LEU B 190
ASN B 178
1.56A22.16
None
None
None
ACT  B 407 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 6
ASN B 178
TYR B 325
TYR B 179
LEU B 190
1.64A22.16
ACT  B 407 (-3.5A)
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
TYR A 325
TYR A 179
LEU A 190
ASN A 178
1.55A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
GLY B 239
GLY B 248
PHE B 233
PHE B 303
1.77A22.88
None
U5P  B 401 ( 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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
GLY A 239
GLY A 248
PHE A 233
PHE A 303
1.77A22.88
None
U5P  A 401 ( 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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 5
GLY A 248
GLY A 247
PHE A 264
PHE A 241
1.67A22.88
U5P  A 401 ( 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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 6
ASN A 178
TYR A 325
TYR A 179
LEU A 190
1.64A22.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE B 116
GLY B  78
GLY B  79
ASN B 115
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  46
GLY C  51
ASN C  37
1.33A
APR  C 201 (-3.5A)
APR  C 201 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE C 116
GLY C  78
GLY C  79
ASN C 115
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  46
GLY A  51
ASN A  37
1.33A
APR  A 201 (-3.1A)
APR  A 201 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE D 132
GLY D  47
GLY D  48
ASN D  37
1.62A
APR  D 201 (-3.5A)
APR  D 201 (-4.2A)
APR  D 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  48
ASN B  37
1.65A
APR  B 201 (-3.6A)
APR  B 201 (-4.0A)
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  46
ASN A  40
1.65A
APR  A 201 (-3.1A)
APR  A 201 (-4.1A)
APR  A 201 (-3.9A)
APR  A 201 (-3.7A)
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE D 116
GLY D  78
GLY D  79
ASN D 115
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
1.33A
APR  B 201 (-3.6A)
APR  B 201 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  47
GLY C  48
ASN C  37
1.62A
APR  C 201 (-3.5A)
APR  C 201 (-4.1A)
APR  C 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 6
PHE D 132
GLY D  46
GLY D  51
ASN D  37
1.31A
APR  D 201 (-3.5A)
APR  D 201 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
GLU A  67
HIS A  17
LEU A  16
ILE A  14
1.45A17.02
 CL  A 506 (-3.5A)
CL  A 506 ( 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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
HIS A 175
LEU A 132
TYR A  72
ILE A 151
1.55A17.02
PO4  A 504 (-3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE A 497
GLY A 404
GLY A 504
ASN A 501
1.66A
None
DMS  A 903 (-3.5A)
DMS  A 903 ( 4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 6
PHE E 497
GLY E 404
GLY E 504
ASN E 501
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY E 133
ASN E 101
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  46
GLY C  51
ASN C  37
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  51
ASN B  37
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  51
ASN A  37
1.49A
EDO  A 202 (-3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE D 116
GLY D  78
GLY D  79
ASN D 115
1.56A
None
None
None
EDO  D 201 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 116
GLY C  78
GLY C  79
ASN C 115
1.55A
None
None
EPE  C 202 (-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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE E 116
GLY E  78
GLY E  79
ASN E 115
1.59A
None
None
EPE  E 203 (-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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 116
GLY B  78
GLY B  79
ASN B 115
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE D 132
GLY D  47
GLY D  46
ASN D  40
1.66A
EDO  D 205 ( 3.6A)
EDO  D 206 (-4.5A)
EDO  D 206 ( 4.6A)
EDO  D 206 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE D 132
GLY D  46
GLY D  51
ASN D  37
1.37A
EDO  D 205 ( 3.6A)
EDO  D 206 ( 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE E 132
GLY E  46
GLY E  51
ASN E  37
1.38A
EPE  E 202 (-3.2A)
EPE  E 202 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
1.56A
None
None
None
EDO  D 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  46
GLY A  51
ASN A  37
1.34A
EDO  A 202 (-3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE E 132
GLY E  47
GLY E  51
ASN E  37
1.50A
EPE  E 202 (-3.2A)
EPE  E 202 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  46
ASN B  40
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE D 132
GLY D  47
GLY D  51
ASN D  37
1.49A
EDO  D 205 ( 3.6A)
EDO  D 206 (-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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  47
GLY C  46
ASN C  40
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  47
GLY C  51
ASN C  37
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE E 132
GLY E  46
GLY E  51
ASN E  37
1.32A
APR  E 201 (-3.5A)
APR  E 201 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE D 132
GLY D  47
GLY D  48
ASN D  37
1.65A
APR  D 201 (-3.3A)
APR  D 201 ( 4.3A)
EDO  D 204 ( 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  46
GLY C  51
ASN C  37
1.28A
APR  C 201 (-3.5A)
APR  C 201 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 116
GLY C  78
GLY C  79
ASN C 115
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  46
GLY A  51
ASN A  37
1.29A
APR  A 201 (-3.7A)
APR  A 201 (-4.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
1.28A
APR  B 201 (-3.5A)
EDO  B 202 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE D 132
GLY D  46
GLY D  51
ASN D  37
1.32A
APR  D 201 (-3.3A)
APR  D 201 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  48
ASN A  37
1.64A
APR  A 201 (-3.7A)
APR  A 201 (-4.1A)
APR  A 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE E 116
GLY E  78
GLY E  79
ASN E 115
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
1.57A
None
None
None
EDO  A 207 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY E 133
ASN E 101
1.60A
APR  B 201 (-3.5A)
EDO  B 202 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE D 116
GLY D  78
GLY D  79
ASN D 115
1.56A
None
None
EDO  D 203 (-3.1A)
EDO  A 207 ( 3.7A)
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 116
GLY B  78
GLY B  79
ASN B 115
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  47
GLY C  48
ASN C  37
1.64A
APR  C 201 (-3.5A)
APR  C 201 (-4.3A)
APR  C 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  51
ASN B  37
1.66A
APR  B 201 (-3.5A)
APR  B 201 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE E 132
GLY E  47
GLY E  48
ASN E  37
1.64A
APR  E 201 (-3.5A)
APR  E 201 (-4.4A)
APR  E 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  47
GLY B  51
ASN B  37
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  47
GLY A  51
ASN A  37
1.48A
MES  A 201 (-3.5A)
MES  A 201 ( 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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 116
GLY C  78
GLY C  79
ASN C 115
1.57A
None
None
None
EDO  A 202 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 132
GLY A  46
GLY A  51
ASN A  37
1.34A
MES  A 201 (-3.5A)
MES  A 201 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  47
GLY C  51
ASN C  37
1.45A
MES  C 201 (-3.6A)
MES  C 201 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE A 116
GLY A  78
GLY A  79
ASN A 115
1.57A
None
None
EDO  A 204 (-3.6A)
EDO  A 202 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE C 132
GLY C  46
GLY C  51
ASN C  37
1.34A
MES  C 201 (-3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 6
PHE B 116
GLY B  78
GLY B  79
ASN B 115
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7btf NSP12
(SARS-CoV-2)		4 / 6
ASN A 705
ARG A 132
TYR A 732
LEU A 731
1.50A12.31
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7btf NSP12
(SARS-CoV-2)		4 / 6
PHE A 415
GLY A 839
GLY A 841
ASN A 416
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_A_VK3A202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7btf NSP12
(SARS-CoV-2)		4 / 5
TYR A 237
TYR A 238
LEU A 241
TRP A 216
1.63A12.31
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7btf NSP12
(SARS-CoV-2)		4 / 6
PHE A 192
GLY A 200
GLY A 230
ASN A 198
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_D_VK3D202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7btf NSP12
(SARS-CoV-2)		4 / 5
TRP A 216
TYR A 237
TYR A 238
LEU A 241
1.69A12.31
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7btf NSP12
(SARS-CoV-2)		4 / 7
ARG A 132
TYR A 732
LEU A 731
ASN A 705
1.38A12.31
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7btf NSP12
(SARS-CoV-2)		4 / 6
PHE A 694
GLY A 679
GLY A 678
ASN A 628
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 6
PHE A 291
PHE A   3
GLY A 283
ASN A 214
1.56A
None
None
DMS  A 404 ( 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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 6
ASN A 705
ARG A 132
TYR A 732
LEU A 731
1.56A12.09
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7bv1 NSP12
(SARS-CoV-2)		4 / 6
PHE A 415
GLY A 839
GLY A 841
ASN A 416
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
TYR A 237
TYR A 238
LEU A 241
TRP A 216
1.70A12.09
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
TYR A 728
TYR A 732
LEU A 708
TYR A 129
1.65A12.09
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
ARG A 132
TYR A 732
LEU A 731
ASN A 705
1.43A12.09
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.
4F8Y_D_VK3D202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
TRP A 216
TYR A 237
TYR A 238
LEU A 241
1.74A12.09
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7bv1 NSP12
(SARS-CoV-2)		4 / 6
PHE A 694
GLY A 679
GLY A 678
ASN A 628
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.
4F8Y_A_VK3A202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv1 NSP12
(SARS-CoV-2)		4 / 5
TYR A 237
TYR A 238
LEU A 241
TRP A 216
1.69A12.09
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
ARG A 132
TYR A 732
LEU A 731
ASN A 705
1.36A12.09
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7bv2 NSP12
(SARS-CoV-2)		4 / 6
PHE A 275
PHE A 321
GLY A 352
ASN A 314
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_A_VK3A202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
TYR A 237
TYR A 238
LEU A 241
TRP A 216
1.61A12.09
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7bv2 NSP12
(SARS-CoV-2)		4 / 6
PHE A 429
GLY A 839
GLY A 841
ASN A 416
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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 6
ASN A 705
ARG A 132
TYR A 732
LEU A 731
1.46A12.09
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		7bv2 NSP12
(SARS-CoV-2)		4 / 6
PHE A 415
GLY A 839
GLY A 841
ASN A 416
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.
4F8Y_D_VK3D202_1
(NADPH QUINONE
OXIDOREDUCTASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 5
TRP A 216
TYR A 237
TYR A 238
LEU A 241
1.66A12.09
None