Ligand ID: 117


Drugbank ID:
DB01076
(Atorvastatin)


Indication:
May be used as primary prevention in individuals with multiple risk factors for coronary heart disease (CHD) and as secondary prevention in individuals with CHD to reduce the risk of myocardial infarction (MI), stroke, angina, and revascularization procedures. May be used to reduce the risk of cardiovascular events in patients with acute coronary syndrome (ACS). May be used in the treatment of primary hypercholesterolemia and mixed dyslipidemia, homozygous familial hypercholesterolemia, primary dysbetalipoproteinemia, and/or hypertriglyeridemia as an adjunct to dietary therapy to decrease serum total and low-density lipoprotein cholesterol (LDL-C), apolipoprotein B (apoB), and triglyceride concentrations, while increasing high-density lipoprotein cholesterol (HDL-C) levels.

Get human targets for 117 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '117' 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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		5r83 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.72A20.09
K0G  A1001 (-3.6A)
K0G  A1001 ( 4.1A)
K0G  A1001 (-4.0A)
CL  A1007 (-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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.70A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.70A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.70A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.73A17.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6lzg SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
VAL B 350
SER B 349
ASN B 450
ASP B 442
1.75A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 672
VAL A 398
SER A 397
ASP A 390
1.58A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 672
VAL A 398
SER A 397
ASP A 390
1.57A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 672
VAL A 398
SER A 397
ASP A 390
1.57A19.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
CYH C 738
ASN C 856
SER C 735
LEU C 858
LEU C 959
1.56A15.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG B 567
VAL C  42
ASP B 571
LYS C 964
1.58A15.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL B 166
SER B 162
ASP B 273
LYS B  71
1.59A19.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
SER C 937
SER C 940
LEU C 938
ALA C 944
LEU C 945
1.42A16.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
LYS C 947
ASN A1023
LEU C1024
ALA C1025
LEU C 727
1.76A17.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ARG C 457
SER C 459
ASN C 422
ASP C 467
1.58A15.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ARG C 457
SER C 459
ASN C 422
ASP C 467
1.53A15.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ARG C 457
SER C 459
ASN C 422
ASP C 467
1.58A15.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6w4h NSP16
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
1.49A22.48
ACT  A7103 (-4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.74A
None
KCX  A6935 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.76A
None
KCX  A6935 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.67A15.17
None
FMT  C7110 ( 2.8A)
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.68A15.17
None
FMT  C7110 ( 2.8A)
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.64A15.17
None
FMT  A7105 ( 2.6A)
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.40A15.17
FMT  C7108 ( 3.9A)
None
None
FMT  C7111 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.66A15.17
None
FMT  A7105 ( 2.6A)
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
1.44A15.17
FMT  A7104 ( 4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.78A15.17
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.69A15.17
None
FMT  C7110 ( 2.8A)
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
1.45A15.17
FMT  A7104 ( 4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
1.78A15.17
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
1.80A15.17
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
1.44A15.17
FMT  A7104 ( 4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.76A15.17
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.68A15.17
None
FMT  C7110 ( 2.8A)
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.40A15.17
FMT  C7108 ( 3.9A)
None
None
FMT  C7111 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
1.45A15.17
FMT  A7104 ( 4.0A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.63A15.17
None
FMT  A7105 ( 2.6A)
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.65A15.17
None
FMT  A7105 ( 2.6A)
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.41A15.17
FMT  C7108 ( 3.9A)
None
None
FMT  C7111 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.76A15.17
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
1.78A15.17
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.41A15.17
FMT  C7108 ( 3.9A)
None
None
FMT  C7111 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL B  41
ASN B  88
ASP B  37
LYS B  91
0.97A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL C  41
ASN C  88
ASP C  37
LYS C  91
0.92A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL C  41
ASN C  88
ASP C  37
LYS C  91
0.93A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL B  41
ASN B  88
ASP B  37
LYS B  91
0.97A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A  41
ASN A  88
ASP A  37
LYS A  91
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A  41
ASN A  88
ASP A  37
LYS A  91
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A  41
ASN A  88
ASP A  37
LYS A  91
1.13A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL B  41
ASN B  88
ASP B  37
LYS B  91
0.97A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL C  41
ASN C  88
ASP C  37
LYS C  91
0.92A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER F 312
VAL E 270
ASN B 345
ASP E 297
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER F 312
VAL E 270
ASN B 345
ASP E 297
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
SER F 312
VAL E 270
ASN B 345
ASP E 297
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.62A
None
FMT  A7104 ( 2.9A)
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.61A
None
FMT  A7104 ( 2.9A)
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.64A
None
FMT  A7104 ( 2.9A)
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.63A
None
FMT  A7104 ( 2.9A)
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLU A7001
SER A6998
SER A6831
ALA A6832
LEU A6834
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.64A
None
FMT  A7106 ( 2.8A)
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.68A
None
FMT  C7110 ( 3.0A)
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.67A
None
FMT  C7110 ( 3.0A)
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
VAL C6965
SER C6964
ASN C7008
ASP C6923
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.37A
None
None
None
FMT  C7111 ( 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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.68A
None
FMT  C7110 ( 3.0A)
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.62A
None
FMT  A7106 ( 2.8A)
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.38A
None
None
None
FMT  C7111 ( 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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH C6823
SER C7000
ASN C6941
ALA C7002
LEU C7004
1.69A
None
FMT  C7110 ( 3.0A)
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.63A
None
FMT  A7106 ( 2.8A)
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
CYH A6823
SER A7000
ASN A6941
ALA A7002
LEU A7004
1.62A
None
FMT  A7106 ( 2.8A)
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.38A
None
None
None
FMT  C7111 ( 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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
GLU C7001
SER C6998
SER C6831
ALA C6832
LEU C6834
1.37A
None
None
None
FMT  C7111 ( 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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL A 166
SER A 162
ASP A 273
LYS A  71
1.65A
None
EDO  A 408 ( 3.7A)
EDO  A 408 (-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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL B 166
SER B 162
ASP B 273
LYS B  71
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL A 166
SER A 162
ASP A 273
LYS A  71
1.67A
None
EDO  A 408 ( 3.7A)
EDO  A 408 (-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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL B 166
SER B 162
ASP B 273
LYS B  71
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL A 166
SER A 162
ASP A 273
LYS A  71
1.65A
None
EDO  A 408 ( 3.7A)
EDO  A 408 (-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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL B 166
SER B 162
ASP B 273
LYS B  71
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
VAL A6965
SER A6964
ASN A7008
ASP A6923
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
VAL A  41
ASN A  88
ASP A  37
LYS A  91
0.94A
None
GOL  A 507 (-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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
VAL A  41
ASN A  88
ASP A  37
LYS A  91
0.94A
None
GOL  A 507 (-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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
VAL A  41
ASN A  88
ASP A  37
LYS A  91
0.93A
None
GOL  A 507 (-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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.75A17.21
DMS  A 405 (-3.4A)
DMS  A 405 ( 3.7A)
DMS  A 405 (-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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.72A17.21
DMS  A 405 (-3.4A)
DMS  A 405 ( 3.7A)
DMS  A 405 (-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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.72A17.21
DMS  A 405 (-3.4A)
DMS  A 405 ( 3.7A)
DMS  A 405 (-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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.72A17.21
DMS  A 405 (-3.4A)
DMS  A 405 ( 3.7A)
DMS  A 405 (-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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG A 457
SER A 459
ASN A 422
ASP A 467
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG E 457
SER E 459
ASN E 422
ASP E 467
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG E 457
SER E 459
ASN E 422
ASP E 467
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG A 457
SER A 459
ASN A 422
ASP A 467
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG E 457
SER E 459
ASN E 422
ASP E 467
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG A 457
SER A 459
ASN A 422
ASP A 467
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.72A
P6N  A 502 (-2.8A)
P6N  A 502 (-3.3A)
P6N  A 502 (-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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.71A
P6N  A 502 (-2.8A)
P6N  A 502 (-3.3A)
P6N  A 502 (-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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.75A
P6N  A 502 (-2.8A)
P6N  A 502 (-3.3A)
P6N  A 502 (-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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.72A
P6N  A 502 (-2.8A)
P6N  A 502 (-3.3A)
P6N  A 502 (-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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG E 457
SER E 459
ASN E 422
ASP E 467
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG A 457
SER A 459
ASN A 422
ASP A 467
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG E 457
SER E 459
ASN E 422
ASP E 467
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG A 457
SER A 459
ASN A 422
ASP A 467
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG A 457
SER A 459
ASN A 422
ASP A 467
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG E 457
SER E 459
ASN E 422
ASP E 467
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.74A
PJE  C   5 (-3.7A)
PJE  C   5 ( 4.1A)
PJE  C   5 (-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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.77A
PJE  C   5 (-3.7A)
PJE  C   5 ( 4.1A)
PJE  C   5 (-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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.74A
PJE  C   5 (-3.7A)
PJE  C   5 ( 4.1A)
PJE  C   5 (-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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 11
GLU A 166
SER A 144
HIS A 163
SER A 147
ALA A 116
1.75A
PJE  C   5 (-3.7A)
PJE  C   5 ( 4.1A)
PJE  C   5 (-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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
HIS A 572
ASN A 568
SER A 635
LEU A 638
ALA A 634
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
HIS A 572
ASN A 568
SER A 635
LEU A 638
ALA A 634
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
CYH A 659
HIS A 572
ASN A 568
LEU A 638
ALA A 634
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
HIS A 572
ASN A 568
SER A 635
LEU A 638
ALA A 634
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
CYH A 659
HIS A 572
ASN A 568
LEU A 638
ALA A 634
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
CYH A 659
HIS A 572
ASN A 568
LEU A 638
ALA A 634
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
HIS A 572
ASN A 568
SER A 635
LEU A 638
ALA A 634
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
CYH A 659
HIS A 572
ASN A 568
LEU A 638
ALA A 634
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		7bv1 NSP7
(SARS-CoV-2)		5 / 11
SER C  10
HIS C  36
ASN C  37
LEU C  14
LEU C  17
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		7bv1 NSP12
NSP7
(SARS-CoV-2)		4 / 8
VAL C  16
SER C  15
ASN A 414
LYS A 417
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		7bv1 NSP7
(SARS-CoV-2)		5 / 11
SER C  10
HIS C  36
ASN C  37
LEU C  14
LEU C  17
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		7bv1 NSP12
NSP7
(SARS-CoV-2)		4 / 8
VAL C  16
SER C  15
ASN A 414
LYS A 417
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		7bv1 NSP12
NSP7
(SARS-CoV-2)		4 / 8
VAL C  16
SER C  15
ASN A 414
LYS A 417
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		7bv1 NSP7
(SARS-CoV-2)		5 / 11
SER C  10
HIS C  36
ASN C  37
LEU C  14
LEU C  17
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		7bv1 NSP7
(SARS-CoV-2)		5 / 11
SER C  10
HIS C  36
ASN C  37
LEU C  14
LEU C  17
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		7bv2 NSP7
(SARS-CoV-2)		4 / 8
VAL C  11
SER C  10
ASP C   5
LYS C   2
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 8
VAL C  16
SER C  15
ASN A 414
LYS A 849
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 8
VAL C  16
SER C  15
ASN A 414
LYS A 849
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		7bv2 NSP7
(SARS-CoV-2)		4 / 8
VAL C  11
SER C  10
ASP C   5
LYS C   2
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		7bv2 NSP12
NSP7
(SARS-CoV-2)		4 / 8
VAL C  16
SER C  15
ASN A 414
LYS A 849
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
ARG A 631
HIS A 572
SER A 635
LEU A 638
ALA A 690
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		7bv2 NSP7
(SARS-CoV-2)		4 / 8
VAL C  11
SER C  10
ASP C   5
LYS C   2
1.73A
None