SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'APR'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 2hjr MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		6 / 9 GLY A  21
ASP A  45
ILE A  46
TYR A  77
ALA A  90
ILE A 110
 APR  A3001 (-3.6A)
APR  A3001 (-3.1A)
APR  A3001 (-3.8A)
None
APR  A3001 (-3.6A)
APR  A3001 (-3.9A)
 1.02A 1cetA-2hjrA:
44.6		 1cetA-2hjrA:
41.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.85A 1cqeA-5dusA:
undetectable		 1cqeA-5dusA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.85A 1cqeB-5dusA:
undetectable		 1cqeB-5dusA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 7 ASP A  51
GLY A  43
GLY A  44
GLN A  59
 None
APR  A 169 ( 4.5A)
APR  A 169 (-3.2A)
None
 0.99A 1ekjE-3ewrA:
undetectable
1ekjF-3ewrA:
undetectable		 1ekjE-3ewrA:
20.96
1ekjF-3ewrA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.86A 1eqhA-5dusA:
undetectable		 1eqhA-5dusA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.87A 1eqhB-5dusA:
undetectable		 1eqhB-5dusA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		5 / 12 PHE A  27
THR A 103
VAL A  90
LEU A  52
ILE A 146
 None
APR  A 302 ( 4.2A)
None
None
None
 1.28A 1kqwA-3gz8A:
undetectable		 1kqwA-3gz8A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 THR A 103
ASP A 102
GLY A  96
GLY A  98
LEU A  42
 None
APR  A 389 ( 4.5A)
None
APR  A 389 (-3.2A)
APR  A 389 (-4.9A)
 1.05A 1rjdA-1rrmA:
2.5		 1rjdA-1rrmA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_B_SAMB802_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 THR A 103
ASP A 102
GLY A  96
GLY A  98
LEU A  42
 None
APR  A 389 ( 4.5A)
None
APR  A 389 (-3.2A)
APR  A 389 (-4.9A)
 1.05A 1rjdB-1rrmA:
2.1		 1rjdB-1rrmA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RJD_C_SAMC803_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 THR A 103
ASP A 102
GLY A  96
GLY A  98
LEU A  42
 None
APR  A 389 ( 4.5A)
None
APR  A 389 (-3.2A)
APR  A 389 (-4.9A)
 1.06A 1rjdC-1rrmA:
2.4		 1rjdC-1rrmA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.31A 1v8bA-1rrmA:
2.6		 1v8bA-1rrmA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.30A 1v8bB-1rrmA:
2.5		 1v8bB-1rrmA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.31A 1v8bD-1rrmA:
3.3		 1v8bD-1rrmA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 2hjr MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 ILE A  88
ALA A 247
ILE A  29
THR A 131
PHE A 141
 None
None
None
APR  A3001 (-2.5A)
None
 1.32A 1vq1A-2hjrA:
3.8		 1vq1A-2hjrA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		4 / 5 LEU A  38
GLY A  51
HIS A 142
ILE A 146
 None
None
APR  A 302 (-4.0A)
None
 0.70A 1xf1A-3gz8A:
undetectable		 1xf1A-3gz8A:
11.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XF1_B_ACTB1108_0
(C5A PEPTIDASE)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		4 / 6 LEU A  38
GLY A  51
HIS A 142
ILE A 146
 None
None
APR  A 302 (-4.0A)
None
 0.75A 1xf1B-3gz8A:
undetectable		 1xf1B-3gz8A:
11.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 6 ALA A  51
SER A  54
PHE A  62
ASN A 112
ASP A 114
 APR  A1296 (-3.7A)
None
APR  A1296 (-3.6A)
None
None
 0.73A 1yc2A-3zg6A:
21.7		 1yc2A-3zg6A:
30.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 6 ALA A 263
SER A 266
ASN A 345
ILE A 346
ASP A 347
 APR  A 602 (-3.3A)
None
None
None
None
 0.26A 1yc2A-4iaoA:
23.8		 1yc2A-4iaoA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 6 ALA A 263
SER A 266
PHE A 274
ASN A 345
ILE A 346
 APR  A 602 (-3.3A)
None
APR  A 602 (-3.5A)
None
None
 0.71A 1yc2A-4iaoA:
23.8		 1yc2A-4iaoA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 5 ALA A  51
PHE A  62
ASN A 112
ASP A 114
 APR  A1296 (-3.7A)
APR  A1296 (-3.6A)
None
None
 0.67A 1yc2D-3zg6A:
21.8		 1yc2D-3zg6A:
30.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 5 ALA A 263
PHE A 274
ASN A 345
ILE A 346
ASP A 347
 APR  A 602 (-3.3A)
APR  A 602 (-3.5A)
None
None
None
 0.59A 1yc2D-4iaoA:
23.7		 1yc2D-4iaoA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC2_E_NCAE507_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 7 ILE A  59
PHE A  62
ASN A 112
ASP A 114
 None
APR  A1296 (-3.6A)
None
None
 0.28A 1yc2E-3zg6A:
22.5		 1yc2E-3zg6A:
30.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_E_NCAE507_0
(NAD-DEPENDENT
DEACETYLASE 2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 7 ILE A 271
PHE A 274
ASN A 345
ILE A 346
ASP A 347
 None
APR  A 602 (-3.5A)
None
None
None
 0.47A 1yc2E-4iaoA:
26.7		 1yc2E-4iaoA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 7 ALA A  51
SER A  54
ILE A  59
ASN A 112
ASP A 114
 APR  A1296 (-3.7A)
None
None
None
None
 0.36A 1yc5A-3zg6A:
23.7		 1yc5A-3zg6A:
34.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		6 / 7 ALA A 263
SER A 266
ILE A 271
ASN A 345
ILE A 346
ASP A 347
 APR  A 602 (-3.3A)
None
None
None
None
None
 0.48A 1yc5A-4iaoA:
20.9		 1yc5A-4iaoA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 7 SER A 266
ILE A 271
ASP A 273
ASP A 347
 None
None
APR  A 602 (-3.9A)
None
 0.84A 1yc5A-4iaoA:
20.9		 1yc5A-4iaoA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.90A 2aylA-5dusA:
undetectable		 2aylA-5dusA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.89A 2aylB-5dusA:
undetectable		 2aylB-5dusA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 GLY A  97
GLY A 194
ALA A 197
HIS A 200
ALA A 250
 APR  A 389 (-3.1A)
None
None
ZN  A 387 ( 3.3A)
None
 1.02A 2bm9F-1rrmA:
undetectable		 2bm9F-1rrmA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 GLY A  98
GLY A 194
ALA A 197
HIS A 200
ALA A 250
 APR  A 389 (-3.2A)
None
None
ZN  A 387 ( 3.3A)
None
 0.84A 2bm9F-1rrmA:
undetectable		 2bm9F-1rrmA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C12_F_SPMF1433_1
(NITROALKANE OXIDASE)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		5 / 11 MET A  89
LEU A  27
ALA A 195
SER A 242
LEU A 241
 APR  A 400 (-4.9A)
None
None
None
None
 1.31A 2c12F-1wvgA:
undetectable		 2c12F-1wvgA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		5 / 11 THR A 148
ALA A 198
GLY A 118
ALA A 173
SER A  81
 APR  A 285 (-2.8A)
APR  A 285 (-3.4A)
None
None
None
 1.20A 2f162-1txzA:
undetectable		 2f162-1txzA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		5 / 11 THR A 148
ALA A 198
GLY A 118
ALA A 173
SER A  81
 APR  A 285 (-2.8A)
APR  A 285 (-3.4A)
None
None
None
 1.20A 2f16N-1txzA:
undetectable		 2f16N-1txzA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		5 / 12 GLY A  18
GLY A  21
LEU A  43
GLY A  66
ALA A  90
 APR  A 400 (-3.2A)
APR  A 400 (-3.2A)
APR  A 400 (-4.1A)
None
APR  A 400 (-3.4A)
 0.82A 2fk8A-1wvgA:
5.1		 2fk8A-1wvgA:
23.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 5 ALA A  51
ILE A  59
ASN A 112
ASP A 114
 APR  A1296 (-3.7A)
None
None
None
 0.33A 2h4jA-3zg6A:
23.9		 2h4jA-3zg6A:
34.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 5 ALA A 263
ILE A 271
ASN A 345
ILE A 346
ASP A 347
 APR  A 602 (-3.3A)
None
None
None
None
 0.53A 2h4jA-4iaoA:
20.7		 2h4jA-4iaoA:
21.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HJH_A_NCAA900_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 5 ILE A 271
PRO A 272
PHE A 274
PHE A 280
ILE A 346
 None
None
APR  A 602 (-3.5A)
None
None
 0.32A 2hjhA-4iaoA:
44.7		 2hjhA-4iaoA:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2HJH_B_NCAB901_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 5 ILE A 271
PRO A 272
PHE A 274
VAL A 315
 None
None
APR  A 602 (-3.5A)
None
 0.43A 2hjhB-4iaoA:
44.1		 2hjhB-4iaoA:
99.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NMZ_B_ROCB401_1
(PROTEASE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		6 / 12 GLY A  67
ASP A  39
ILE A  95
ILE A 107
ALA A  63
ILE A  64
 None
APR  A 389 (-2.7A)
None
None
None
None
 1.26A 2nmzA-1rrmA:
undetectable		 2nmzA-1rrmA:
16.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NV4_B_SAMB202_0
(UPF0066 PROTEIN
AF_0241)		 3q6z POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens) 		5 / 12 ALA A 822
PRO A 883
GLY A 862
LEU A 860
SER A 904
 APR  A   1 (-3.3A)
None
None
None
None
 1.36A 2nv4B-3q6zA:
undetectable		 2nv4B-3q6zA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 7 GLY A 471
GLY A 264
VAL A 500
LEU A 494
 APR  A 602 (-3.7A)
APR  A 602 (-3.3A)
None
None
 0.79A 2oa1B-4iaoA:
2.6		 2oa1B-4iaoA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QBO_A_CAMA442_0
(CYTOCHROME P450-CAM)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 10 TYR A 111
VAL A 149
VAL A  14
VAL A 153
VAL A 152
 None
None
None
None
APR  A 201 (-4.8A)
 1.39A 2qboA-5dusA:
undetectable		 2qboA-5dusA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMZ_A_LDPA501_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  79
PHE A 106
ILE A 143
PHE A 102
 APR  A 285 (-3.6A)
None
None
None
 0.94A 2qmzA-1txzA:
undetectable
2qmzB-1txzA:
undetectable		 2qmzA-1txzA:
21.00
2qmzB-1txzA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RKF_A_AB1A501_2
(PROTEASE RETROPEPSIN)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		6 / 12 GLY A  67
ASP A  39
ILE A  36
ILE A 107
ALA A  63
ILE A  64
 None
APR  A 389 (-2.7A)
None
None
None
None
 1.44A 2rkfB-1rrmA:
undetectable		 2rkfB-1rrmA:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 LEU A 108
THR A 213
GLY A 212
GLY A  52
LEU A  96
 None
APR  A1296 (-3.7A)
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
 1.02A 2uvnA-3zg6A:
undetectable		 2uvnA-3zg6A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		 4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE
(Tetrahymena
thermophila) 		5 / 11 ILE A 324
ALA A 326
GLU A 344
ILE A 395
VAL A 236
 None
APR  A 501 ( 4.6A)
None
None
None
 1.12A 2w3aA-4eppA:
undetectable		 2w3aA-4eppA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 1v8y ADP-RIBOSE
PYROPHOSPHATASE
(Thermus
thermophilus) 		4 / 8 GLY A  67
ILE A  19
ALA A  78
GLU A  70
 ZN  A 300 ( 4.5A)
APR  A 619 (-4.5A)
None
ZN  A 301 (-2.3A)
 0.93A 2x0pA-1v8yA:
undetectable		 2x0pA-1v8yA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_A_HSMA1161_1
(ALLERGEN ARG R 1)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 5 VAL A  52
TYR A  53
VAL A  20
ASP A  19
 None
None
APR  A 169 (-4.3A)
None
 1.29A 2x45A-3ewrA:
undetectable		 2x45A-3ewrA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1161_1
(ALLERGEN ARG R 1)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 5 VAL A  52
TYR A  53
VAL A  20
ASP A  19
 None
None
APR  A 169 (-4.3A)
None
 1.33A 2x45C-3ewrA:
undetectable		 2x45C-3ewrA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 12 ILE A 516
SER A 323
GLY A 471
GLY A 264
LEU A 494
 None
None
APR  A 602 (-3.7A)
APR  A 602 (-3.3A)
None
 0.95A 2zw9A-4iaoA:
2.0		 2zw9A-4iaoA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 11 PHE A  14
GLY A  15
GLY A 240
GLN A 247
THR A 141
 None
None
None
None
APR  A 389 (-2.7A)
 1.16A 3ag1G-1rrmA:
0.0
3ag1N-1rrmA:
0.1
3ag1O-1rrmA:
0.0		 3ag1G-1rrmA:
10.57
3ag1N-1rrmA:
22.45
3ag1O-1rrmA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.36A 3ce6D-1rrmA:
2.7		 3ce6D-1rrmA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		3 / 3 THR A  49
SER A 110
PHE A  62
 None
None
APR  A1296 (-3.6A)
 0.88A 3d4sA-3zg6A:
undetectable		 3d4sA-3zg6A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_B_SAMB301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE
(Tetrahymena
thermophila) 		4 / 7 GLN A 335
GLY A 367
GLY A 373
ALA A 326
 None
APR  A 501 (-2.9A)
None
APR  A 501 ( 4.6A)
 0.79A 3fpjB-4eppA:
undetectable		 3fpjB-4eppA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.37A 3g1uB-1rrmA:
3.6		 3g1uB-1rrmA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE
(Synechocystis
sp.
PCC
6803) 		5 / 12 HIS A 328
GLN A 330
ASP A 205
THR A 203
PHE A 272
 APR  A 501 (-4.0A)
None
APR  A 501 (-2.8A)
APR  A 501 (-3.6A)
None
 1.34A 3g1uB-2qjoA:
2.4		 3g1uB-2qjoA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE
(Tetrahymena
thermophila) 		4 / 7 TYR A 293
VAL A 261
ILE A 227
THR A 233
 None
None
APR  A 501 (-3.9A)
None
 0.99A 3gssA-4eppA:
undetectable		 3gssA-4eppA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IB1_A_IMNA701_1
(LACTOTRANSFERRIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 4 PRO A  89
THR A  90
GLY A 212
THR A 213
 None
None
APR  A1296 (-3.6A)
APR  A1296 (-3.7A)
 1.05A 3ib1A-3zg6A:
undetectable		 3ib1A-3zg6A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 7 LEU A 474
LEU A 260
CYH A 469
ASN A 496
 None
None
None
APR  A 602 (-3.2A)
 0.87A 3lm8B-4iaoA:
3.3
3lm8D-4iaoA:
2.9		 3lm8B-4iaoA:
18.62
3lm8D-4iaoA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 8 LEU A 474
LEU A 260
CYH A 469
ASN A 496
 None
None
None
APR  A 602 (-3.2A)
 0.88A 3lm8A-4iaoA:
2.6
3lm8C-4iaoA:
undetectable		 3lm8A-4iaoA:
18.62
3lm8C-4iaoA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_D_VIBD223_1
(THIAMINE
PYROPHOSPHOKINASE)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 8 LEU A 474
LEU A 260
CYH A 469
ASN A 496
 None
None
None
APR  A 602 (-3.2A)
 0.76A 3lm8B-4iaoA:
3.0
3lm8D-4iaoA:
2.9		 3lm8B-4iaoA:
18.62
3lm8D-4iaoA:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.93A 3ln1A-5dusA:
undetectable		 3ln1A-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.91A 3ln1B-5dusA:
undetectable		 3ln1B-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.92A 3ln1C-5dusA:
undetectable		 3ln1C-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.93A 3ln1D-5dusA:
undetectable		 3ln1D-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		5 / 12 GLY A  44
GLY A  43
ASP A  19
ASP A  51
LEU A  85
 APR  A 169 (-3.2A)
APR  A 169 ( 4.5A)
None
None
None
 0.96A 3m6vA-3ewrA:
undetectable		 3m6vA-3ewrA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		5 / 12 GLY A  44
GLY A  43
ASP A  19
ASP A  51
LEU A  85
 APR  A 169 (-3.2A)
APR  A 169 ( 4.5A)
None
None
None
 0.98A 3m6vB-3ewrA:
undetectable		 3m6vB-3ewrA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		5 / 12 THR A 148
ALA A 198
SER A 119
GLY A 118
ALA A 173
 APR  A 285 (-2.8A)
APR  A 285 (-3.4A)
None
None
None
 1.07A 3mg02-1txzA:
undetectable
3mg0V-1txzA:
undetectable		 3mg02-1txzA:
22.15
3mg0V-1txzA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE
(Tetrahymena
thermophila) 		5 / 11 ILE A 324
ALA A 326
GLU A 344
ILE A 395
VAL A 236
 None
APR  A 501 ( 4.6A)
None
None
None
 1.13A 3n0hA-4eppA:
undetectable		 3n0hA-4eppA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.36A 3n58C-1rrmA:
2.3		 3n58C-1rrmA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.91A 3n8wA-5dusA:
undetectable		 3n8wA-5dusA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.85A 3n8zA-5dusA:
undetectable		 3n8zA-5dusA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.88A 3nt1A-5dusA:
undetectable		 3nt1A-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.86A 3nt1B-5dusA:
undetectable		 3nt1B-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		3 / 3 GLY A 270
ILE A 154
VAL A 153
 None
None
APR  A 389 (-4.6A)
 0.40A 3nv6A-1rrmA:
1.2		 3nv6A-1rrmA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.87A 3pghD-5dusA:
undetectable		 3pghD-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		5 / 10 THR A  29
PRO A 191
ASN A  25
GLY A 196
GLY A  52
 None
APR  A 285 ( 4.9A)
None
APR  A 285 (-3.2A)
SO4  A 288 ( 3.4A)
 1.21A 3pp7B-1txzA:
undetectable		 3pp7B-1txzA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.92A 3rr3A-5dusA:
undetectable		 3rr3A-5dusA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RR3_B_FLRB700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.91A 3rr3B-5dusA:
undetectable		 3rr3B-5dusA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE
(Tetrahymena
thermophila) 		5 / 12 ILE A 324
ALA A 326
GLU A 344
ILE A 395
VAL A 236
 None
APR  A 501 ( 4.6A)
None
None
None
 1.11A 3s3vA-4eppA:
undetectable		 3s3vA-4eppA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 7 ASN A 112
ILE A  59
PHE A  80
PHE A  62
 None
None
None
APR  A1296 (-3.6A)
 1.27A 3tvxB-3zg6A:
undetectable		 3tvxB-3zg6A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		5 / 12 ALA A  97
ASP A  23
ASP A  96
PHE A 140
HIS A 142
 None
APR  A 302 (-2.9A)
APR  A 302 (-3.6A)
APR  A 302 (-3.6A)
APR  A 302 (-4.0A)
 1.45A 3w37A-3gz8A:
undetectable		 3w37A-3gz8A:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		5 / 12 ALA A  97
ASP A  23
ASP A  96
PHE A 140
HIS A 142
 None
APR  A 302 (-2.9A)
APR  A 302 (-3.6A)
APR  A 302 (-3.6A)
APR  A 302 (-4.0A)
 1.46A 3welA-3gz8A:
undetectable		 3welA-3gz8A:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		5 / 12 ALA A  97
ASP A  23
ASP A  96
PHE A 140
HIS A 142
 None
APR  A 302 (-2.9A)
APR  A 302 (-3.6A)
APR  A 302 (-3.6A)
APR  A 302 (-4.0A)
 1.50A 3wenA-3gz8A:
undetectable		 3wenA-3gz8A:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		5 / 12 ALA A  97
ASP A  23
ASP A  96
PHE A 140
HIS A 142
 None
APR  A 302 (-2.9A)
APR  A 302 (-3.6A)
APR  A 302 (-3.6A)
APR  A 302 (-4.0A)
 1.45A 3weoA-3gz8A:
undetectable		 3weoA-3gz8A:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 7 PHE A   7
TYR A  16
VAL A 151
ILE A 121
 None
None
APR  A 169 ( 4.6A)
None
 0.94A 4a97E-3ewrA:
undetectable		 4a97E-3ewrA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 8 PHE A   7
TYR A  16
VAL A 151
ILE A 121
 None
None
APR  A 169 ( 4.6A)
None
 0.94A 4a97C-3ewrA:
undetectable		 4a97C-3ewrA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 8 PHE A   7
TYR A  16
VAL A 151
ILE A 121
 None
None
APR  A 169 ( 4.6A)
None
 0.93A 4a97D-3ewrA:
undetectable		 4a97D-3ewrA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_H_ZPCH1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 8 PHE A   7
TYR A  16
VAL A 151
ILE A 121
 None
None
APR  A 169 ( 4.6A)
None
 0.90A 4a97G-3ewrA:
undetectable		 4a97G-3ewrA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 7 PHE A   7
TYR A  16
VAL A 151
ILE A 121
 None
None
APR  A 169 ( 4.6A)
None
 0.93A 4a97H-3ewrA:
undetectable		 4a97H-3ewrA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 8 PHE A   7
TYR A  16
VAL A 151
ILE A 121
 None
None
APR  A 169 ( 4.6A)
None
 0.94A 4a97I-3ewrA:
undetectable		 4a97I-3ewrA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 4 ASN A 112
ALA A  51
GLY A  50
THR A 213
 None
APR  A1296 (-3.7A)
APR  A1296 (-3.2A)
APR  A1296 (-3.7A)
 1.20A 4bboC-3zg6A:
undetectable		 4bboC-3zg6A:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 4 ASN A 345
ALA A 263
GLY A 262
THR A 472
 None
APR  A 602 (-3.3A)
APR  A 602 (-3.1A)
APR  A 602 (-4.0A)
 1.27A 4bboC-4iaoA:
undetectable		 4bboC-4iaoA:
11.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3A_A_ADNA500_1
(SUGAR KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.10A 4e3aA-3zg6A:
4.6		 4e3aA-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  86
GLY A  87
TYR A 197
GLU A 103
 EDO  A 286 (-3.7A)
APR  A 285 (-3.3A)
APR  A 285 (-4.0A)
None
 0.86A 4fgkB-1txzA:
undetectable		 4fgkB-1txzA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  79
PHE A 106
ILE A 143
PHE A 102
 APR  A 285 (-3.6A)
None
None
None
 0.79A 4fglC-1txzA:
undetectable		 4fglC-1txzA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_A_NCAA1201_0
(TANKYRASE-2)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		4 / 7 HIS A  19
GLY A  40
ALA A  90
TYR A  41
 None
None
APR  A 400 (-3.4A)
None
 0.85A 4hyfA-1wvgA:
undetectable		 4hyfA-1wvgA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		4 / 8 HIS A  19
GLY A  40
ALA A  90
TYR A  41
 None
None
APR  A 400 (-3.4A)
None
 0.88A 4hyfB-1wvgA:
undetectable		 4hyfB-1wvgA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_C_NCAC1201_0
(TANKYRASE-2)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		4 / 8 HIS A  19
GLY A  40
ALA A  90
TYR A  41
 None
None
APR  A 400 (-3.4A)
None
 0.84A 4hyfC-1wvgA:
undetectable		 4hyfC-1wvgA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_B_ADNB500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.07A 4jkuB-3zg6A:
4.6		 4jkuB-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_A_ADNA401_1
(SUGAR KINASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4k8pA-3zg6A:
4.7		 4k8pA-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8P_B_ADNB401_1
(SUGAR KINASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4k8pB-3zg6A:
4.7		 4k8pB-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_A_ADNA401_1
(SUGAR KINASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.08A 4k8tA-3zg6A:
3.4		 4k8tA-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8T_B_ADNB401_1
(SUGAR KINASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4k8tB-3zg6A:
4.8		 4k8tB-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K93_A_ADNA401_1
(SUGAR KINASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4k93A-3zg6A:
3.2		 4k93A-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_A_ADNA401_1
(SUGAR KINASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.08A 4k9cA-3zg6A:
4.7		 4k9cA-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K9C_B_ADNB401_1
(SUGAR KINASE)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4k9cB-3zg6A:
3.4		 4k9cB-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.08A 4kadA-3zg6A:
3.2		 4kadA-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAD_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4kadB-3zg6A:
3.2		 4kadB-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4lbxA-3zg6A:
4.9		 4lbxA-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBX_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.10A 4lbxB-3zg6A:
4.9		 4lbxB-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.08A 4lc4A-3zg6A:
4.6		 4lc4A-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LC4_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		5 / 12 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
APR  A1296 (-3.6A)
APR  A1296 (-3.3A)
None
None
 1.09A 4lc4B-3zg6A:
4.8		 4lc4B-3zg6A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 ALA A 356
GLY A 270
ALA A 271
THR A 155
VAL A 153
 None
None
None
None
APR  A 389 (-4.6A)
 1.06A 4nkxC-1rrmA:
undetectable		 4nkxC-1rrmA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_D_STRD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 ALA A 356
GLY A 270
ALA A 271
THR A 155
VAL A 153
 None
None
None
None
APR  A 389 (-4.6A)
 1.03A 4nkxD-1rrmA:
undetectable		 4nkxD-1rrmA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		4 / 5 PHE A 296
HIS A 364
LEU A 449
PRO A 478
 None
APR  A 602 (-4.1A)
None
None
 0.88A 4o8zA-4iaoA:
26.2		 4o8zA-4iaoA:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 10 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.88A 4ph9A-5dusA:
undetectable		 4ph9A-5dusA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PH9_B_IBPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 10 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.86A 4ph9B-5dusA:
undetectable		 4ph9B-5dusA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE
(Tetrahymena
thermophila) 		4 / 8 PHE A 238
SER A 362
ASP A 223
ASP A 224
 APR  A 501 (-4.7A)
None
None
None
 1.32A 4qb9D-4eppA:
undetectable		 4qb9D-4eppA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		5 / 11 ILE A 189
GLY A  79
PHE A 106
ILE A 143
PHE A 102
 None
APR  A 285 (-3.6A)
None
None
None
 1.01A 4qoiA-1txzA:
undetectable
4qoiB-1txzA:
undetectable		 4qoiA-1txzA:
21.33
4qoiB-1txzA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_B_RBFB201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 8 THR A 195
LEU A  31
LEU A  21
PHE A  89
 APR  A 285 (-3.6A)
None
None
APR  A 285 ( 4.9A)
 0.98A 4r38B-1txzA:
undetectable		 4r38B-1txzA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 7 ILE A  59
PHE A  62
ASN A 112
ASP A 114
 None
APR  A1296 (-3.6A)
None
None
 0.30A 4rmjA-3zg6A:
18.7		 4rmjA-3zg6A:
25.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		 4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
(Saccharomyces
cerevisiae) 		5 / 7 ILE A 271
PHE A 274
ASN A 345
ILE A 346
ASP A 347
 None
APR  A 602 (-3.5A)
None
None
None
 0.41A 4rmjA-4iaoA:
31.5		 4rmjA-4iaoA:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 9 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.85A 4rs0A-5dusA:
undetectable		 4rs0A-5dusA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		 2hjr MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 5 LEU A  58
ALA A  22
THR A  89
ILE A  87
 None
None
APR  A3001 (-4.9A)
None
 0.98A 4xe3A-2hjrA:
undetectable		 4xe3A-2hjrA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_B_CL6B502_1
(CYTOCHROME P-450)		 2hjr MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 5 LEU A  58
ALA A  22
THR A  89
ILE A  87
 None
None
APR  A3001 (-4.9A)
None
 0.87A 4xe3B-2hjrA:
undetectable		 4xe3B-2hjrA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		 3ewr NON-STRUCTURAL
PROTEIN 3
(Human
coronavirus
229E) 		4 / 7 GLY A  43
GLY A  44
ALA A  47
ILE A 126
 APR  A 169 ( 4.5A)
APR  A 169 (-3.2A)
APR  A 169 (-3.4A)
APR  A 169 (-3.5A)
 0.45A 4yjiA-3ewrA:
undetectable		 4yjiA-3ewrA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.35A 5axdA-1rrmA:
2.8		 5axdA-1rrmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.35A 5axdC-1rrmA:
4.0		 5axdC-1rrmA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 2hjr MALATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 SER A 113
SER A 145
ILE A 147
VAL A  86
VAL A 152
 APR  A3001 ( 4.8A)
None
None
None
None
 0.98A 5dpdA-2hjrA:
5.1		 5dpdA-2hjrA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.91A 5jvzA-5dusA:
undetectable		 5jvzA-5dusA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.92A 5jvzB-5dusA:
undetectable		 5jvzB-5dusA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5dus ORF1A
(Middle
East
respiratory
syndrome-related
coronavirus) 		5 / 12 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.91A 5jw1A-5dusA:
undetectable		 5jw1A-5dusA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KBW_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		5 / 12 GLU A  75
LEU A  70
GLY A  54
LEU A  26
ALA A 108
 None
None
APR  A 302 ( 4.1A)
None
None
 1.25A 5kbwA-3gz8A:
undetectable		 5kbwA-3gz8A:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.33A 5m66A-1rrmA:
2.6		 5m66A-1rrmA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.35A 5m66C-1rrmA:
4.2		 5m66C-1rrmA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE
(Synechocystis
sp.
PCC
6803) 		5 / 12 HIS A 328
GLN A 330
ASP A 205
THR A 203
PHE A 272
 APR  A 501 (-4.0A)
None
APR  A 501 (-2.8A)
APR  A 501 (-3.6A)
None
 1.35A 5m66C-2qjoA:
2.2		 5m66C-2qjoA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWY_A_YNUA1101_1
(MINERALOCORTICOID
RECEPTOR)		 4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE
(Tetrahymena
thermophila) 		4 / 6 PHE A 352
CYH A 396
THR A 222
PHE A 230
 None
APR  A 501 (-4.2A)
None
None
 1.42A 5mwyA-4eppA:
undetectable		 5mwyA-4eppA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 5mqx NON-STRUCTURAL
PROTEIN3
(Venezuelan
equine
encephalitis
virus) 		5 / 10 ALA A  86
LEU A  85
GLY A  81
ILE A  11
LEU A  37
 None
None
None
APR  A 201 (-3.3A)
None
 1.25A 5oy01-5mqxA:
undetectable
5oy07-5mqxA:
undetectable		 5oy01-5mqxA:
18.09
5oy07-5mqxA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UTU_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.35A 5utuF-1rrmA:
2.4		 5utuF-1rrmA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		3 / 3 THR A 133
MET A  89
HIS A  88
 None
APR  A 400 (-4.9A)
None
 0.80A 5uunA-1wvgA:
undetectable		 5uunA-1wvgA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		3 / 3 ARG A 208
ARG A 232
ARG A  96
 APR  A 400 ( 2.6A)
CXY  A 401 (-3.5A)
None
 0.96A 5vcgA-1wvgA:
undetectable		 5vcgA-1wvgA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		4 / 8 THR A 193
GLY A 194
ALA A 197
SER A 232
 APR  A 389 (-4.5A)
None
None
None
 0.69A 5vw9A-1rrmA:
2.6		 5vw9A-1rrmA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 3gz8 MUTT/NUDIX FAMILY
PROTEIN
(Shewanella
oneidensis) 		3 / 3 ARG A  41
PHE A  56
ARG A  98
 APR  A 302 (-3.1A)
APR  A 302 (-3.5A)
APR  A 302 (-2.9A)
 0.90A 5y9yA-3gz8A:
undetectable		 5y9yA-3gz8A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YBB_B_SAMB601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 5cb5 O-ACETYL-ADP-RIBOSE
DEACETYLASE
(Escherichia
coli) 		4 / 7 ALA R  37
GLY R  33
GLY R  31
THR R  13
 APR  R 201 ( 3.8A)
APR  R 201 (-3.4A)
APR  R 201 (-3.6A)
None
 0.79A 5ybbB-5cb5R:
undetectable		 5ybbB-5cb5R:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		 1txz HYPOTHETICAL 32.1
KDA PROTEIN IN
ADH3-RCA1 INTERGENIC
REGION
(Saccharomyces
cerevisiae) 		4 / 5 TYR A  96
GLN A  55
GLY A 187
ILE A 140
 None
APR  A 285 (-3.5A)
None
None
 1.08A 6debB-1txzA:
undetectable		 6debB-1txzA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECX_A_SAMA1301_1
(STIE PROTEIN)		 3zg6 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-6
(Homo
sapiens) 		4 / 5 THR A 242
ARG A 251
THR A  55
ASP A 114
 None
None
APR  A1296 ( 3.1A)
None
 1.33A 6ecxA-3zg6A:
2.9		 6ecxA-3zg6A:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_B_ADNB505_1
(-)		 1rrm LACTALDEHYDE
REDUCTASE
(Escherichia
coli) 		5 / 12 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.40A 6f3nB-1rrmA:
4.3		 6f3nB-1rrmA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGD_A_ACTA806_0
(GEPHYRIN)		 1wvg CDP-GLUCOSE
4,6-DEHYDRATASE
(Salmonella
enterica) 		4 / 4 MET A  89
GLY A  18
HIS A  19
GLY A  24
 APR  A 400 (-4.9A)
APR  A 400 (-3.2A)
None
None
 1.23A 6fgdA-1wvgA:
1.6		 6fgdA-1wvgA:
21.43