Ligand ID: AIC


Drugbank ID:
DB00415
(Ampicillin)


Indication:
For treatment of infection (Respiratory, GI, UTI and meningitis) due to E. coli, P. mirabilis, enterococci, Shigella, S. typhosa and other Salmonella, nonpenicillinase-producing N. gononhoeae, H. influenzae, staphylococci, streptococci including streptoc

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AIC' 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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.73A12.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
1.35A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 11
LEU A 205
LEU A 268
THR A 201
LEU A 242
ASN A 231
1.53A15.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.72A12.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.73A12.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.61A12.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.14A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.73A12.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.61A12.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6lxt SPIKE PROTEIN S2
(SARS-CoV-2)		5 / 11
THR C 941
LEU C1186
ARG C1185
ASN C1187
LEU C1193
1.52A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6lze VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.11A23.86
ICB  D   1 ( 4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.55A17.29
ELL  D   3 (-3.7A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.59A17.29
ELL  D   3 (-3.7A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.68A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.59A17.29
ELL  D   3 (-3.7A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.56A17.29
ELL  D   3 (-3.7A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.8A)
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m03 MAIN PROTEASE
(SARS-CoV-2)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 205
LEU A 268
1.47A22.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.09A23.53
ICB  D   1 ( 4.1A)
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.56A17.29
ELL  D   3 ( 3.6A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.68A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.68A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.67A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.56A17.29
ELL  D   3 ( 3.6A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.54A17.29
ELL  D   3 ( 3.6A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.68A17.29
None
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.52A17.29
ELL  D   3 ( 3.6A)
ELL  D   3 (-3.9A)
ELL  D   3 (-3.7A)
DMS  A 403 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
1.37A23.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU D 166
HIS D 163
SER D 144
TYR D 118
1.47A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR D 126
HIS D 163
SER D 144
TYR D 118
1.68A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR B 126
HIS B 163
SER B 144
TYR B 118
1.70A17.66
None
None
3WL  B 401 (-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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR C 126
HIS C 163
SER C 144
TYR C 118
1.69A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.52A17.66
None
None
3WL  A 401 ( 3.8A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR C 126
HIS C 163
SER C 144
TYR C 118
1.70A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
PRO C 168
PHE C 185
ALA C 194
0.91A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR B 126
HIS B 163
SER B 144
TYR B 118
1.69A17.66
None
None
3WL  B 401 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU C 166
HIS C 163
SER C 144
TYR C 118
1.52A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.48A17.66
None
None
3WL  A 401 ( 3.8A)
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.84A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 241
PHE A 230
ALA A 234
1.46A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR D 126
HIS D 163
SER D 144
TYR D 118
1.69A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR D 126
HIS D 163
SER D 144
TYR D 118
1.69A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.71A17.66
None
None
3WL  A 401 ( 3.8A)
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR C 126
HIS C 163
SER C 144
TYR C 118
1.70A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.70A17.66
None
None
3WL  A 401 ( 3.8A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU C 166
HIS C 163
SER C 144
TYR C 118
1.48A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
PRO D 168
PHE D 185
ALA D 194
0.94A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR C 126
HIS C 163
SER C 144
TYR C 118
1.70A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.71A17.66
None
None
3WL  A 401 ( 3.8A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR B 126
HIS B 163
SER B 144
TYR B 118
1.70A17.66
None
None
3WL  B 401 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU D 166
HIS D 163
SER D 144
TYR D 118
1.49A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.72A17.66
None
None
3WL  A 401 ( 3.8A)
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.52A17.66
None
None
3WL  A 401 ( 3.8A)
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR D 126
HIS D 163
SER D 144
TYR D 118
1.67A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU D 166
HIS D 163
SER D 144
TYR D 118
1.49A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU C 166
HIS C 163
SER C 144
TYR C 118
1.52A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m2n 3CL PROTEASE
(SARS-CoV-2)		3 / 3
PRO B 168
PHE B 185
ALA B 194
0.92A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.49A17.66
None
None
3WL  A 401 ( 3.8A)
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU C 166
HIS C 163
SER C 144
TYR C 118
1.50A17.66
None
None
3WL  C 401 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
GLU D 166
HIS D 163
SER D 144
TYR D 118
1.46A17.66
None
None
3WL  D 401 ( 3.8A)
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR B 126
HIS B 163
SER B 144
TYR B 118
1.70A17.66
None
None
3WL  B 401 (-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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m2q 3CL PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
1.36A23.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.66A17.66
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 11
LEU A 205
LEU A 268
THR A 201
LEU A 242
ASN A 231
1.52A22.02

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.65A17.66
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.66A17.66
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.66A17.66
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m71 NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
1.75A18.74

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6m71 NSP12
(SARS-CoV-2)		4 / 4
LYS A 500
ALA A 512
PHE A 506
GLY A 510
1.75A21.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m71 NSP12
(SARS-CoV-2)		5 / 11
LEU A 178
ASN A 177
LEU A 247
LEU A 127
LEU A 142
1.78A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m71 NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
1.76A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m71 NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
1.75A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6m71 NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
1.75A18.74

None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 746
PHE A 753
VAL A 764
ALA A 762
TRP A 617
1.67A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
PHE A 745
ASN A 705
VAL A 700
ALA A 702
1.72A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
PHE A 745
VAL A 700
ASN A 705
ALA A 777
1.44A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6m71 NSP12
(SARS-CoV-2)		3 / 3
PRO A 328
PHE A 348
ALA A 660
1.12A17.55
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
LEU A 727
PHE A 745
VAL A 700
ALA A 777
1.71A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
GLY A1059
LEU A 822
SER A1055
LEU A 945
LEU A 948
1.44A15.62
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		3 / 3
PRO A 158
PHE A 177
ALA A 161
0.80A23.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6vxs NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
GLY B1059
LEU B 822
SER B1055
LEU B 945
LEU B 948
1.46A15.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
GLY C1059
LEU C 822
SER C1055
LEU C 945
LEU C 948
1.41A15.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ARG B1039
GLU B1031
GLN B1036
SER A1037
1.54A19.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6961
GLY A6962
LEU A7070
SER A7074
LEU A7078
1.66A18.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLY A6962
LEU A7070
SER A7074
LEU A7078
LEU A6961
1.65A18.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
PRO A6878
PHE A6901
ALA A6870
1.16A
SAM  A7104 (-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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.63A
None
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.49A
X77  A 401 (-3.4A)
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.64A
None
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.65A17.66
None
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.49A
X77  A 401 (-3.4A)
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.45A
X77  A 401 (-3.4A)
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.47A17.66
X77  A 401 (-3.4A)
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.65A
None
X77  A 401 (-4.1A)
X77  A 401 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w6y NSP3
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6w75 NSP16
(SARS-CoV-2)		3 / 3
PRO C6878
PHE C6901
ALA C6870
1.16A19.82
SAM  C7105 ( 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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
GLY A6962
LEU A7070
SER A7074
LEU A7078
LEU A6961
1.63A18.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6w75 NSP16
(SARS-CoV-2)		3 / 3
PRO A6878
PHE A6901
ALA A6870
1.16A19.82
SAM  A7102 ( 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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
LEU A6961
GLY A6962
LEU A7070
SER A7074
LEU A7078
1.65A18.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLU C 143
TYR C  56
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR C  95
LEU C  87
VAL C 159
ASN C  88
TRP C  93
1.64A20.62
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLU C 143
TYR C  56
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLN C 133
TYR C  56
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLU C 143
TYR C  56
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR A  95
LEU A  87
VAL A 159
ASN A  88
TRP A  93
1.61A20.62
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLU C 143
TYR C  56
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLN C 133
TYR C  56
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLN C 133
TYR C  56
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
ARG C 138
TYR C 137
GLN C 133
TYR C  56
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
TYR B  95
LEU B  87
VAL B 159
ASN B  88
TRP B  93
1.68A20.62
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 11
LEU A   9
GLY A 104
ASN A  33
ASN A  98
LEU A  -5
1.59A16.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 11
GLY A 104
ASN A  33
ASN A  98
LEU A  -5
LEU A   9
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		5 / 11
GLY A 104
ASN A  33
ASN A  98
LEU A  -5
LEU A   9
1.58A16.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wcf NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wcf NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wcf NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wcf NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wen NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wen NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wen NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wen NSP3
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wey NSP3
(SARS-CoV-2)		4 / 8
TYR A 213
TYR A 365
GLU A 230
SER A 209
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wey NSP3
(SARS-CoV-2)		4 / 8
TYR A 213
TYR A 365
GLU A 230
SER A 209
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wey NSP3
(SARS-CoV-2)		4 / 8
TYR A 213
TYR A 365
GLU A 230
SER A 209
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wey NSP3
(SARS-CoV-2)		4 / 8
TYR A 213
TYR A 365
GLU A 230
SER A 209
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
LYS D 261
ALA C 313
PHE C 315
GLY C 316
1.36A8.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
LYS F 261
ALA E 313
PHE E 315
GLY E 316
1.35A8.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
PRO D 309
PHE D 315
ALA C 308
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
PRO B 309
PHE B 315
ALA A 308
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
PRO E 309
PHE E 315
ALA F 308
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
LYS B 261
ALA A 313
PHE A 315
GLY A 316
1.35A8.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
LYS C 261
ALA D 313
PHE D 315
GLY D 316
1.34A8.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
LYS A 261
ALA B 313
PHE B 315
GLY B 316
1.35A8.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 4
LYS E 261
ALA F 313
PHE F 315
GLY F 316
1.36A8.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
PRO A 309
PHE A 315
ALA B 308
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
PRO C6878
PHE C6901
ALA C6870
1.16A
SAH  C7102 (-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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
PRO A6878
PHE A6901
ALA A6870
1.14A
SAH  A7102 (-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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wkq NSP16
(SARS-CoV-2)		3 / 3
PRO C6878
PHE C6901
ALA C6870
1.17A
SFG  C7103 ( 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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
LEU C6961
GLY C6962
LEU C7070
SER C7074
LEU C7078
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
GLY C6962
LEU C7070
SER C7074
LEU C7078
LEU C6961
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wkq NSP16
(SARS-CoV-2)		3 / 3
PRO A6878
PHE A6901
ALA A6870
1.15A
SFG  A7103 ( 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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		3 / 3
PRO B 158
PHE B 177
ALA B 161
0.83A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		3 / 3
PRO A 158
PHE A 177
ALA A 161
0.81A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.72A
None
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.59A
U5G  A 401 (-4.4A)
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.73A
None
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.61A
U5G  A 401 (-4.4A)
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.73A
None
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.84A
U5G  A 401 ( 4.1A)
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.57A
U5G  A 401 (-4.4A)
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.61A
U5G  A 401 (-4.4A)
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.72A
None
None
U5G  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
LEU A6961
GLY A6962
LEU A7070
SER A7074
LEU A7078
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
GLY A6962
LEU A7070
SER A7074
LEU A7078
LEU A6961
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
PRO A6878
PHE A6901
ALA A6870
1.16A
SAH  A7101 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
TYR A  95
LEU A  87
VAL A 159
ASN A  88
TRP A  93
1.66A20.19
None
None
None
GOL  A 507 (-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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6y2f REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
0.99A23.92
O6K  A 502 ( 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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ARG B   4
TYR A 126
ASP A 295
GLU A 288
1.73A22.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLU B 166
HIS B 163
SER B 144
TYR B 118
1.45A17.66
O6K  B 401 ( 3.5A)
O6K  B 401 ( 4.0A)
O6K  B 401 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.64A12.18
DMS  A 405 (-3.4A)
DMS  A 405 (-3.9A)
DMS  A 405 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.70A12.18
None
DMS  A 405 (-3.9A)
DMS  A 405 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A12.18
None
DMS  A 405 (-3.9A)
DMS  A 405 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.68A12.18
None
DMS  A 405 (-3.9A)
DMS  A 405 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.70A12.18
None
DMS  A 405 (-3.9A)
DMS  A 405 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
1.35A19.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.12A19.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.64A12.18
DMS  A 405 (-3.4A)
DMS  A 405 (-3.9A)
DMS  A 405 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
LEU B  95
LEU A  13
LEU B 103
ASN B 100
SER A  54
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 11
LEU D  95
LEU C  13
LEU D 103
ASN D 100
SER C  54
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU A 205
THR A 201
LEU A 242
ASN A 231
LEU A 262
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.15A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 262
LEU A 205
1.74A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
THR A 201
LEU A 242
ASN A 231
LEU A 262
LEU A 205
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
LEU A 205
THR A 201
LEU A 242
ASN A 231
LEU A 262
1.74A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.54A
P6N  A 502 (-2.8A)
P6N  A 502 (-3.8A)
P6N  A 502 (-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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.73A
None
P6N  A 502 (-3.8A)
P6N  A 502 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.74A
None
P6N  A 502 (-3.8A)
P6N  A 502 (-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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.54A
P6N  A 502 (-2.8A)
P6N  A 502 (-3.8A)
P6N  A 502 (-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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.72A
None
DMS  A 403 (-4.1A)
DMS  A 403 ( 2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.72A
None
DMS  A 403 (-4.1A)
DMS  A 403 ( 2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.06A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.71A
None
DMS  A 403 (-4.1A)
DMS  A 403 ( 2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.72A
None
DMS  A 403 (-4.1A)
DMS  A 403 ( 2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ASN C  59
THR C  57
LEU C  88
HIS C  45
ASN C  37
1.80A21.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
1.55A
EDO  C 204 ( 4.9A)
EDO  C 203 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
1.56A
EDO  C 204 ( 4.9A)
EDO  C 203 (-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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
1.67A
None
EDO  E 203 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
1.69A
None
EDO  E 203 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
1.56A
EDO  C 204 ( 4.9A)
EDO  C 203 (-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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
1.56A
EDO  C 204 ( 4.9A)
EDO  C 203 (-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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
1.68A
None
EDO  E 203 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR D   9
TYR D 161
GLU D  26
SER D   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR E   9
TYR E 161
GLU E  26
SER E   5
1.68A
None
EDO  E 203 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR A   9
TYR A 161
GLU A  26
SER A   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR C   9
TYR C 161
GLU C  26
SER C   5
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
TYR B   9
TYR B 161
GLU B  26
SER B   5
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.70A
None
PJE  C   5 (-3.8A)
PJE  C   5 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		7bqy MAIN PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 184
PHE A 181
ALA A 173
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.69A
None
PJE  C   5 (-3.8A)
PJE  C   5 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.70A
None
PJE  C   5 (-3.8A)
PJE  C   5 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		7bqy MAIN PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.05A
02J  C   1 ( 3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.71A
None
PJE  C   5 (-3.8A)
PJE  C   5 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
GLY A 670
ASN A 386
ASN A 403
LEU A 401
LEU A 388
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
LEU A 388
GLY A 670
ASN A 386
ASN A 403
LEU A 401
1.65A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
GLY A 670
ASN A 386
ASN A 403
LEU A 401
LEU A 388
1.65A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
PHE A 745
VAL A 700
ASN A 705
ALA A 777
1.40A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
1.76A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP7
(SARS-CoV-2)		5 / 11
LEU C  59
LEU C  55
LEU C  17
ARG C  21
LEU C  28
1.69A14.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
1.75A18.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 746
PHE A 753
VAL A 764
ALA A 762
TRP A 617
1.68A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP7
(SARS-CoV-2)		5 / 11
LEU C  17
ARG C  21
LEU C  28
LEU C  59
LEU C  55
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		7btf NSP12
(SARS-CoV-2)		3 / 3
PRO A 868
PHE A 881
ALA A 863
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
PHE A 745
ASN A 705
VAL A 700
ALA A 702
1.76A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP7
(SARS-CoV-2)		5 / 11
LEU C  59
LEU C  55
LEU C  17
ARG C  21
LEU C  28
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP7
(SARS-CoV-2)		5 / 11
LEU C  17
ARG C  21
LEU C  28
LEU C  59
LEU C  55
1.71A14.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
LEU A 727
PHE A 745
VAL A 700
ALA A 777
1.76A13.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		7btf NSP12
(SARS-CoV-2)		3 / 3
PRO A 328
PHE A 348
ALA A 660
1.11A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7btf NSP12
(SARS-CoV-2)		5 / 11
LEU A 388
GLY A 670
ASN A 386
ASN A 403
LEU A 401
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.67A
None
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.67A
None
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.59A
DMS  A 402 ( 3.9A)
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.56A
DMS  A 402 ( 3.9A)
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.67A
None
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		3 / 3
PRO A 168
PHE A 185
ALA A 194
1.08A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.57A
DMS  A 402 ( 3.9A)
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.66A
None
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.59A
DMS  A 402 ( 3.9A)
DMS  A 402 (-3.9A)
DMS  A 402 ( 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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP7
NSP8
(SARS-CoV-2)		5 / 11
THR C   9
LEU C  13
LEU C  60
LEU D  91
LEU D  95
1.79A12.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
LEU A 727
LEU A 708
GLY A  44
LEU A 731
SER A 236
1.79A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		7bv1 NSP12
(SARS-CoV-2)		3 / 3
PRO A 328
PHE A 348
ALA A 660
1.15A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
PHE A 745
VAL A 700
ASN A 705
ALA A 777
1.44A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
1.63A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
LEU A 727
PHE A 745
VAL A 700
ALA A 777
1.75A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
GLY A 670
ASN A 386
ASN A 403
LEU A 401
LEU A 388
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
LEU A 388
GLY A 670
ASN A 386
ASN A 403
LEU A 401
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
GLY A 670
ASN A 386
ASN A 403
LEU A 401
LEU A 388
1.75A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
PHE A 745
ASN A 705
VAL A 700
ALA A 702
1.68A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
1.63A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 746
PHE A 753
VAL A 764
ALA A 762
TRP A 617
1.69A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
LEU A 388
GLY A 670
ASN A 386
ASN A 403
LEU A 401
1.75A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 746
PHE A 753
VAL A 764
ALA A 762
TRP A 617
1.61A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
PHE A 745
VAL A 700
ASN A 705
ALA A 777
1.43A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 748
LEU A 727
PHE A 745
VAL A 700
ALA A 777
1.71A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
PRO A 328
PHE A 348
ALA A 660
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
LEU A 388
GLY A 670
ASN A 386
ASN A 403
LEU A 401
1.67A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
GLY A 670
ASN A 386
ASN A 403
LEU A 401
LEU A 388
1.67A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
1.64A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 732
PHE A 745
ASN A 705
VAL A 700
ALA A 702
1.69A13.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
THR A 248
ARG A 173
LEU A 146
LEU A 247
LEU A 131
1.64A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
LEU A 247
LEU A 131
THR A 248
ARG A 173
LEU A 146
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
GLY A 670
ASN A 386
ASN A 403
LEU A 401
LEU A 388
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
LEU A 388
GLY A 670
ASN A 386
ASN A 403
LEU A 401
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 11
LEU A 727
LEU A 708
GLY A  44
LEU A 731
SER A 236
1.71A18.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		7bv2 NSP12
(SARS-CoV-2)		3 / 3
ALA A  34
ARG A  33
LYS A 121
1.53A11.08
None