Ligand ID: AC2


Drugbank ID:
DB00787
(Aciclovir)


Indication:

Get human targets for AC2 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AC2' 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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6m71 NSP12
(SARS-CoV-2)		5 / 9
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.56A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6m71 NSP12
(SARS-CoV-2)		4 / 8
GLU A 474
ARG A 640
ARG A 305
ASP A 304
1.78A15.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6m71 NSP12
(SARS-CoV-2)		5 / 10
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.56A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6m71 NSP12
(SARS-CoV-2)		5 / 11
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.55A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		6m71 NSP12
(SARS-CoV-2)		5 / 10
PHE A 859
VAL A 848
GLY A 852
ASN A 416
VAL A 844
1.40A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLU B1031
PHE B1062
ARG B1039
PHE B1042
1.34A12.41
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
GLU B 211
TYR B 238
ASP B 297
PHE B 204
1.65A22.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ARG C1019
GLY C 769
VAL C 772
GLU C 773
GLU B1017
1.77A11.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLU A1031
PHE A1062
ARG A1039
PHE A1042
1.32A12.74
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
SER C  31
GLY C 268
VAL C 267
GLU C 191
SER C  60
1.52A12.08
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
GLU B1031
PHE B1062
ARG B1039
PHE B1042
1.25A12.74
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.
3MJR_B_AC2B401_1
(DEOXYCYTIDINE KINASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
PHE A 559
ARG B  44
ARG A 567
ASP B  40
PHE A 565
1.79A12.74
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
SER A  31
GLY A 268
VAL A 267
GLU A 191
SER A  60
1.44A12.08
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.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 10
ARG A1019
GLY A 769
VAL A 772
GLU A 773
GLU C1017
1.62A11.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
TYR C 365
PHE C 338
ARG C 355
ASP C 398
1.22A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6w4h NSP16
(SARS-CoV-2)		4 / 8
GLU A7001
TYR A6979
PHE A6948
ASP A6928
1.64A21.95
ACT  A7103 (-4.1A)
None
ACT  A7104 (-4.7A)
SAM  A7102 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6w4h NSP16
(SARS-CoV-2)		5 / 11
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
1.69A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6w4h NSP16
(SARS-CoV-2)		5 / 9
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
1.75A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLU A7001
TYR A6979
PHE A6948
ASP A6928
1.62A
None
None
EDO  A7102 (-4.8A)
SAM  A7104 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
1.69A
None
None
None
CL  A7101 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
SER C6943
GLY C7019
ALA C7024
VAL C7021
ILE C7017
1.68A20.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
GLU A7001
TYR A6979
PHE A6948
ASP A6928
1.59A17.86
FMT  A7104 ( 4.0A)
None
None
SAM  A7102 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6w75 NSP16
(SARS-CoV-2)		4 / 8
GLU C7001
TYR C6979
PHE C6948
ASP C6928
1.59A17.86
FMT  C7108 ( 3.9A)
None
FMT  C7115 ( 4.3A)
SAM  C7105 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6w75 NSP16
(SARS-CoV-2)		5 / 11
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
1.69A20.97
None
None
None
None
FMT  A7111 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6w75 NSP16
(SARS-CoV-2)		5 / 9
SER C6943
GLY C7019
ALA C7024
VAL C7021
ILE C7017
1.74A20.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6w75 NSP16
(SARS-CoV-2)		5 / 9
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
1.75A20.97
None
None
None
None
FMT  A7111 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLY F 328
VAL F 324
GLU F 323
MET F 322
ASP E 341
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
GLY B 328
VAL B 324
GLU B 323
MET B 322
ASP A 341
1.52A18.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
GLY C 328
VAL C 324
GLU C 323
MET C 322
ASP D 341
1.64A18.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLY D 328
VAL D 324
GLU D 323
MET D 322
ASP C 341
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
GLY F 328
VAL F 324
GLU F 323
MET F 322
ASP E 341
1.59A18.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLY E 328
VAL E 324
GLU E 323
MET E 322
ASP F 341
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 10
GLY D 328
VAL D 324
GLU D 323
MET D 322
ASP C 341
1.63A18.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLY B 328
VAL B 324
GLU B 323
MET B 322
ASP A 341
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 11
GLY C 328
VAL C 324
GLU C 323
MET C 322
ASP D 341
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.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
SER C6943
GLY C7019
ALA C7024
VAL C7021
ILE C7017
1.74A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
SER C6943
GLY C7019
ALA C7024
VAL C7021
ILE C7017
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLU A7001
TYR A6979
PHE A6948
ASP A6928
1.61A
None
None
None
SAH  A7102 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLU C7001
TYR C6979
PHE C6948
ASP C6928
1.62A
None
None
None
SAH  C7102 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
1.69A
FMT  A7108 (-2.6A)
None
None
None
FMT  A7105 (-4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
GLU A7001
TYR A6979
PHE A6948
ASP A6928
1.59A
None
None
None
SFG  A7103 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wkq NSP16
(SARS-CoV-2)		5 / 9
SER C6943
GLY C7019
ALA C7024
VAL C7021
ILE C7017
1.74A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wkq NSP16
(SARS-CoV-2)		5 / 11
SER C6943
GLY C7019
ALA C7024
VAL C7021
ILE C7017
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wkq NSP16
(SARS-CoV-2)		4 / 8
GLU C7001
TYR C6979
PHE C6948
ASP C6928
1.60A
None
None
FMT  C7105 ( 4.4A)
SFG  C7103 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
GLU A 211
TYR A 238
ASP A 297
PHE A 204
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
GLU B 211
TYR B 238
ASP B 297
PHE B 204
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
TYR A 325
ARG A 127
ASP A 125
PHE A 123
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
GLU A 211
TYR A 238
PHE A 222
ASP A 301
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
TYR B 325
ARG B 127
ASP B 125
PHE B 123
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 8
GLU A7001
TYR A6979
PHE A6948
ASP A6928
1.63A
GTA  A7102 (-4.1A)
None
None
SAH  A7101 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 9
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
1.76A19.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 11
SER A6943
GLY A7019
ALA A7024
VAL A7021
ILE A7017
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 351
ARG A 509
ARG A 346
ASP A 442
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PHE D 156
VAL D  49
GLY D  48
VAL D  24
HIS C  86
1.59A22.11
EDO  D 209 ( 3.6A)
EDO  D 209 (-4.6A)
EDO  D 209 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PHE D 156
VAL D  49
ASN C  58
VAL D  24
HIS C  86
1.57A22.11
EDO  D 209 ( 3.6A)
EDO  D 209 (-4.6A)
EDO  D 209 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PHE D 156
VAL D  49
ASN C  58
VAL D  24
HIS C  86
1.52A22.11
EDO  D 204 (-3.9A)
APR  D 201 (-3.7A)
EDO  D 204 (-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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
PHE D 156
VAL D  49
GLY D  48
VAL D  24
HIS C  86
1.48A22.11
EDO  D 204 (-3.9A)
APR  D 201 (-3.7A)
EDO  D 204 ( 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.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 10
ARG B 141
ALA A  56
VAL A  24
GLU A  25
VAL A  35
1.77A23.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7btf NSP12
(SARS-CoV-2)		5 / 9
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.56A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7btf NSP12
(SARS-CoV-2)		5 / 11
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7btf NSP12
(SARS-CoV-2)		5 / 10
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.57A14.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7btf NSP12
(SARS-CoV-2)		5 / 10
MET A 666
GLY A 345
ALA A 660
VAL A 535
VAL A 354
1.78A13.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		7btf NSP12
(SARS-CoV-2)		4 / 8
GLU A 474
ARG A 640
ARG A 305
ASP A 304
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		7btf NSP12
(SARS-CoV-2)		5 / 10
GLY A 345
VAL A 354
THR A 344
ASN A 356
VAL A 535
1.59A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7bv1 NSP12
(SARS-CoV-2)		5 / 11
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7bv1 NSP12
(SARS-CoV-2)		5 / 9
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.51A13.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
MET A 666
SER A 343
GLY A 345
ALA A 660
VAL A 535
1.52A13.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
GLY A 345
VAL A 354
THR A 344
ASN A 356
VAL A 535
1.57A15.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
MET A 666
GLY A 345
ALA A 660
VAL A 535
VAL A 354
1.74A13.93
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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
GLY A 345
VAL A 354
THR A 344
ASN A 356
VAL A 535
1.59A15.63
None