Potential binding sites containing twelve residues derived from binding site similarity searches

DrReposER ID Hit Organism /
Macromolecule		 Interface HETATM RMSD Dali Z-score Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4G_A_ZMRA466_1 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.0A)
LNV A 801 (-2.9A)
LNV A 801 (-4.4A)
 0.43A 1a4gA-3tiaA:
55.2		 1a4gA-3tiaA:
28.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4G_A_ZMRA466_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.51A 1a4gA-6br6A:
54.5		 1a4gA-6br6A:
10.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4G_B_ZMRB466_1 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.0A)
LNV A 801 (-2.9A)
LNV A 801 (-4.4A)
 0.46A 1a4gB-3tiaA:
55.0		 1a4gB-3tiaA:
28.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4G_B_ZMRB466_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.50A 1a4gB-6br6A:
54.5		 1a4gB-6br6A:
10.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1 6fhv GLUCOAMYLASE

Penicillium
oxalicum 		ALA A 66
TYR A 75
TRP A 79
ARG A 81
ASP A 82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436		 B3P A 652 ( 3.9A)
B3P A 652 (-4.1A)
B3P A 652 ( 4.1A)
B3P A 652 (-4.0A)
B3P A 652 (-2.8A)
B3P A 652 (-4.3A)
None
B3P A 652 (-3.4A)
B3P A 652 (-2.8A)
B3P A 652 ( 3.8A)
None
B3P A 652 ( 4.6A)
 0.36A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1 6fhw GLUCOAMYLASE P

Amorphotheca
resinae 		ALA A 67
TYR A 76
TRP A 80
ARG A 82
ASP A 83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432		 ACR A 801 (-3.5A)
ACR A 801 (-4.3A)
ACR A 801 (-3.3A)
ACR A 801 (-4.0A)
ACR A 801 (-2.7A)
ACR A 801 (-3.7A)
ACR A 801 (-3.1A)
ACR A 801 (-3.9A)
ACR A 801 (-2.8A)
ACR A 801 ( 3.9A)
None
ACR A 801 (-4.4A)
 0.34A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_1 6fhv GLUCOAMYLASE

Penicillium
oxalicum 		ALA A 66
TYR A 75
TRP A 79
ARG A 81
ASP A 82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436		 B3P A 652 ( 3.9A)
B3P A 652 (-4.1A)
B3P A 652 ( 4.1A)
B3P A 652 (-4.0A)
B3P A 652 (-2.8A)
B3P A 652 (-4.3A)
None
B3P A 652 (-3.4A)
B3P A 652 (-2.8A)
B3P A 652 ( 3.8A)
None
B3P A 652 ( 4.6A)
 0.36A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_1 6fhw GLUCOAMYLASE P

Amorphotheca
resinae 		ALA A 67
TYR A 76
TRP A 80
ARG A 82
ASP A 83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432		 ACR A 801 (-3.5A)
ACR A 801 (-4.3A)
ACR A 801 (-3.3A)
ACR A 801 (-4.0A)
ACR A 801 (-2.7A)
ACR A 801 (-3.7A)
ACR A 801 (-3.1A)
ACR A 801 (-3.9A)
ACR A 801 (-2.8A)
ACR A 801 ( 3.9A)
None
ACR A 801 (-4.4A)
 0.34A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DY4_A_SNPA437_1 5o5d GLUCANASE

Trichoderma
atroviride 		ALA A 143
TYR A 145
TYR A 171
ASP A 173
SER A 174
GLN A 175
GLU A 212
ASP A 214
GLU A 217
THR A 246
ARG A 251
ASP A 369		 BTB A 604 (-3.5A)
BTB A 604 (-3.8A)
None
BTB A 604 (-3.7A)
BTB A 604 (-3.4A)
BTB A 604 (-3.8A)
BTB A 604 (-2.7A)
BTB A 604 ( 3.4A)
BTB A 604 ( 3.0A)
None
None
None
 0.52A 1dy4A-5o5dA:
68.9		 1dy4A-5o5dA:
13.13
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.
1L7F_A_BCZA801_0 4cpn NEURAMINIDASE

Influenza B virus 		GLU A 116
LEU A 131
ASP A 148
ARG A 153
TRP A 176
ILE A 220
ARG A 222
GLU A 225
GLU A 274
GLU A 275
ARG A 291
TYR A 408		 ZMR A 700 (-3.5A)
None
ZMR A 700 (-3.3A)
ZMR A 700 (-4.2A)
None
None
ZMR A 700 (-3.8A)
ZMR A 700 (-3.5A)
ZMR A 700 (-2.7A)
ZMR A 700 (-3.4A)
ZMR A 700 (-2.8A)
ZMR A 700 (-4.6A)
 0.48A 1l7fA-4cpnA:
54.2		 1l7fA-4cpnA:
28.57
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.
1L7F_A_BCZA801_0 6br6 NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
None
None
E3M A 511 ( 4.3A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.49A 1l7fA-6br6A:
64.7		 1l7fA-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7G_A_BCZA801_0 4cpn NEURAMINIDASE

Influenza B virus 		LEU A 131
ASP A 148
ARG A 149
ARG A 153
TRP A 176
ILE A 220
ARG A 222
GLU A 225
GLU A 274
GLU A 275
ARG A 291
TYR A 408		 None
ZMR A 700 (-3.3A)
ZMR A 700 (-4.0A)
ZMR A 700 (-4.2A)
None
None
ZMR A 700 (-3.8A)
ZMR A 700 (-3.5A)
ZMR A 700 (-2.7A)
ZMR A 700 (-3.4A)
ZMR A 700 (-2.8A)
ZMR A 700 (-4.6A)
 0.47A 1l7gA-4cpnA:
54.1		 1l7gA-4cpnA:
28.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7G_A_BCZA801_0 6br6 NEURAMINIDASE

Influenza A virus 		LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 227
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
None
E3M A 511 ( 4.3A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.49A 1l7gA-6br6A:
64.7		 1l7gA-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NNC_A_ZMRA479_1 4cpn NEURAMINIDASE

Influenza B virus 		ARG A 115
GLU A 116
ARG A 149
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 291
ASN A 293
ARG A 373
TYR A 408		 ZMR A 700 (-2.9A)
ZMR A 700 (-3.5A)
ZMR A 700 (-4.0A)
ZMR A 700 (-3.8A)
ZMR A 700 (-3.5A)
ZMR A 700 (-3.6A)
ZMR A 700 (-2.7A)
ZMR A 700 (-3.4A)
ZMR A 700 (-2.8A)
ZMR A 700 ( 3.9A)
ZMR A 700 (-3.0A)
ZMR A 700 (-4.6A)
 0.60A 1nncA-4cpnA:
54.0		 1nncA-4cpnA:
28.57
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.
1NNC_A_ZMRA479_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ARG A 152
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-3.8A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.25A 1nncA-6br6A:
64.3		 1nncA-6br6A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RK3_A_VDXA500_1 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		TYR A 175
LEU A 261
VAL A 262
SER A 265
SER A 303
SER A 306
TRP A 314
CYH A 316
VAL A 328
HIS A 333
LEU A 337
HIS A 423		 None
DZW A 501 ( 4.5A)
None
DZW A 501 (-3.0A)
DZW A 501 (-3.8A)
DZW A 501 (-2.7A)
DZW A 501 (-3.5A)
DZW A 501 (-3.4A)
DZW A 501 ( 4.3A)
DZW A 501 (-3.9A)
None
DZW A 501 (-4.0A)
 0.27A 1rk3A-6fobA:
38.9		 1rk3A-6fobA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S19_A_MC9A500_0 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		LEU A 255
LEU A 261
VAL A 262
ILE A 299
SER A 303
SER A 306
TRP A 314
CYH A 316
TYR A 323
VAL A 328
LEU A 337
LEU A 341		 None
DZW A 501 ( 4.5A)
None
DZW A 501 (-4.7A)
DZW A 501 (-3.8A)
DZW A 501 (-2.7A)
DZW A 501 (-3.5A)
DZW A 501 (-3.4A)
DZW A 501 (-3.6A)
DZW A 501 ( 4.3A)
None
None
 0.30A 1s19A-6fobA:
37.4		 1s19A-6fobA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAK_A_SAMA301_0 5wyr TRNA
(GUANINE-N(1)-)-ME
THYLTRANSFERASE

Pseudomonas
aeruginosa 		LEU A 92
SER A 93
PRO A 94
GLN A 95
GLY A 118
SER A 137
ILE A 138
VAL A 142
LEU A 143
GLY A 145
GLY A 146
PRO A 149		 SFG A 400 (-4.6A)
None
SFG A 400 (-3.7A)
SFG A 400 (-2.7A)
SFG A 400 (-3.4A)
SFG A 400 (-3.3A)
SFG A 400 (-4.4A)
SFG A 400 ( 4.1A)
SFG A 400 (-4.2A)
SFG A 400 (-3.2A)
SFG A 400 (-3.7A)
SFG A 400 (-4.4A)
 0.29A 1uakA-5wyrA:
29.7		 1uakA-5wyrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.25A 1v8bA-6gbnA:
28.4		 1v8bA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.23A 1v8bB-6gbnA:
54.6		 1v8bB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.27A 1v8bD-6gbnA:
29.1		 1v8bD-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XIH_A_SORA389_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
PHE A 144
VAL A 185
TRP A 187
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
None
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.46A 1xihA-1a0eA:
41.1		 1xihA-1a0eA:
28.57
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.
1XLX_A_CIOA101_1 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
HIS A 450
MET A 519
LEU A 565
ASN A 567
THR A 579
ILE A 582
MET A 583
SER A 614
GLN A 615
PHE A 618		 None
None
None
9VE A 801 (-3.8A)
9VE A 801 (-4.7A)
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 ( 4.0A)
9VE A 801 (-4.7A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.36A 1xlxA-5ohjA:
52.6		 1xlxA-5ohjA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLX_A_CIOA101_1 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
HIS A 204
MET A 273
LEU A 319
ASN A 321
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369
PHE A 372		 AKJ A 601 ( 4.7A)
None
None
AKJ A 601 ( 3.9A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-4.3A)
AKJ A 601 (-4.1A)
AKJ A 601 (-3.8A)
AKJ A 601 ( 3.7A)
AKJ A 601 (-2.5A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
 0.43A 1xlxA-5wh6A:
52.2		 1xlxA-5wh6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XLX_B_CIOB102_1 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
HIS A 204
MET A 273
THR A 333
ILE A 336
MET A 337
PHE A 340
MET A 357
SER A 368
GLN A 369
PHE A 372		 AKJ A 601 ( 4.7A)
None
None
AKJ A 601 ( 3.9A)
AKJ A 601 (-4.1A)
AKJ A 601 (-3.8A)
AKJ A 601 ( 3.7A)
AKJ A 601 (-4.5A)
AKJ A 601 (-3.4A)
AKJ A 601 (-2.5A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
 0.57A 1xlxB-5wh6A:
52.3		 1xlxB-5wh6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOT_A_VDNA101_1 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
MET A 519
LEU A 565
ILE A 582
MET A 583
SER A 601
MET A 603
SER A 614
GLN A 615
PHE A 618
ILE A 622		 None
None
9VE A 801 (-3.8A)
9VE A 801 (-4.7A)
9VE A 801 (-4.1A)
9VE A 801 ( 4.0A)
None
9VE A 801 (-3.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
9VE A 801 (-4.8A)
 0.92A 1xotA-5ohjA:
52.6		 1xotA-5ohjA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_A_ZMRA1477_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.30A 2cmlA-6br6A:
64.6		 2cmlA-6br6A:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_B_ZMRB2477_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.27A 2cmlB-6br6A:
64.6		 2cmlB-6br6A:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_C_ZMRC3477_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.31A 2cmlC-6br6A:
64.6		 2cmlC-6br6A:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CML_D_ZMRD4477_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.29A 2cmlD-6br6A:
64.5		 2cmlD-6br6A:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1 2vn7 GLUCOAMYLASE

Trichoderma
reesei 		ALA A 38
TYR A 47
TRP A 51
ARG A 53
ASP A 54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
GLU A 404		 BTB A 620 ( 3.8A)
BTB A 620 (-3.9A)
BTB A 620 (-3.8A)
BTB A 620 (-3.7A)
BTB A 620 (-2.8A)
None
None
None
BTB A 620 (-3.6A)
BTB A 620 ( 4.9A)
None
BTB A 620 (-4.0A)
 0.35A 2f6dA-2vn7A:
45.4		 2f6dA-2vn7A:
29.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1 6fhv GLUCOAMYLASE

Penicillium
oxalicum 		ALA A 66
TYR A 75
TRP A 79
ARG A 81
ASP A 82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436		 B3P A 652 ( 3.9A)
B3P A 652 (-4.1A)
B3P A 652 ( 4.1A)
B3P A 652 (-4.0A)
B3P A 652 (-2.8A)
B3P A 652 (-4.3A)
None
B3P A 652 (-3.4A)
B3P A 652 (-2.8A)
B3P A 652 ( 3.8A)
None
B3P A 652 ( 4.6A)
 0.44A 2f6dA-6fhvA:
44.5		 2f6dA-6fhvA:
11.94
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.
2F6D_A_ACRA995_1 6fhw GLUCOAMYLASE P

Amorphotheca
resinae 		ALA A 67
TYR A 76
TRP A 80
ARG A 82
ASP A 83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432		 ACR A 801 (-3.5A)
ACR A 801 (-4.3A)
ACR A 801 (-3.3A)
ACR A 801 (-4.0A)
ACR A 801 (-2.7A)
ACR A 801 (-3.7A)
ACR A 801 (-3.1A)
ACR A 801 (-3.9A)
ACR A 801 (-2.8A)
ACR A 801 ( 3.9A)
None
ACR A 801 (-4.4A)
 0.35A 2f6dA-6fhwA:
45.3		 2f6dA-6fhwA:
10.57
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.
2F6D_A_ACRA995_1 6frv GLUCOAMYLASE

Aspergillus niger 		ALA A 63
TYR A 72
TRP A 76
ARG A 78
ASP A 79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
GLU A 424		 None
 0.24A 2f6dA-6frvA:
46.0		 2f6dA-6frvA:
11.60
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.
2PXC_A_SAMA500_0 5jjr GENOME POLYPROTEIN

Dengue virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1003 (-3.2A)
SAH A1003 (-3.4A)
SAH A1003 (-3.5A)
SAH A1003 (-3.0A)
SAH A1003 (-3.4A)
SAH A1003 (-4.6A)
SAH A1003 (-4.8A)
SAH A1003 (-3.3A)
SAH A1003 (-3.0A)
SAH A1003 (-3.7A)
SAH A1003 (-3.8A)
SAH A1003 ( 4.3A)
 0.36A 2pxcA-5jjrA:
40.8		 2pxcA-5jjrA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_A_SORA397_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.55A 2xinA-1a0cA:
38.7		 2xinA-1a0cA:
27.47
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.
2XIN_A_SORA397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
GLU A 229
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 304
ASP A 336		 None
None
None
None
None
MN A 491 ( 2.4A)
MN A 492 ( 4.8A)
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.56A 2xinA-1a0dA:
38.9		 2xinA-1a0dA:
27.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_A_SORA397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.53A 2xinA-1a0eA:
40.3		 2xinA-1a0eA:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_A_SORA397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.59A 2xinA-4xkmA:
39.2		 2xinA-4xkmA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_A_SORA397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340		 None
None
None
None
None
FE2 A 501 (-2.2A)
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.57A 2xinA-5nhbA:
40.4		 2xinA-5nhbA:
27.96
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.
2XIN_B_SORB397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.54A 2xinB-1a0eA:
40.1		 2xinB-1a0eA:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_B_SORB397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.66A 2xinB-4xkmA:
39.0		 2xinB-4xkmA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_C_SORC397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
GLU A 229
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 304
ASP A 336		 None
None
None
None
None
MN A 491 ( 2.4A)
MN A 492 ( 4.8A)
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.62A 2xinC-1a0dA:
38.7		 2xinC-1a0dA:
27.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_C_SORC397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.55A 2xinC-1a0eA:
40.2		 2xinC-1a0eA:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_C_SORC397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.62A 2xinC-4xkmA:
39.1		 2xinC-4xkmA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_C_SORC397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340		 None
None
None
None
None
FE2 A 501 (-2.2A)
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.62A 2xinC-5nhbA:
40.4		 2xinC-5nhbA:
27.96
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.
2XIN_D_SORD397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.52A 2xinD-1a0eA:
40.2		 2xinD-1a0eA:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_D_SORD397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.65A 2xinD-4xkmA:
39.1		 2xinD-4xkmA:
28.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XIN_D_SORD397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340		 None
None
None
None
None
FE2 A 501 (-2.2A)
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.64A 2xinD-5nhbA:
40.4		 2xinD-5nhbA:
27.96
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.
2ZJ0_A_2FAA500_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.49A 2zj0A-6gbnA:
30.5		 2zj0A-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_B_2FAB500_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.62A 2zj0B-6f3mB:
51.9		 2zj0B-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_B_2FAB500_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.63A 2zj0B-6gbnA:
55.5		 2zj0B-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_C_2FAC500_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.58A 2zj0C-6f3mB:
51.8		 2zj0C-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_C_2FAC500_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.57A 2zj0C-6gbnA:
55.4		 2zj0C-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_D_2FAD500_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
HIS B 323
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
ZN B 505 (-3.2A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.48A 2zj0D-6f3mB:
51.7		 2zj0D-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_D_2FAD500_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.47A 2zj0D-6gbnA:
55.3		 2zj0D-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_1 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		TYR A 175
LEU A 261
VAL A 262
SER A 265
SER A 303
SER A 306
CYH A 316
VAL A 328
HIS A 333
LEU A 337
HIS A 423
LEU A 430		 None
DZW A 501 ( 4.5A)
None
DZW A 501 (-3.0A)
DZW A 501 (-3.8A)
DZW A 501 (-2.7A)
DZW A 501 (-3.4A)
DZW A 501 ( 4.3A)
DZW A 501 (-3.9A)
None
DZW A 501 (-4.0A)
None
 0.34A 2zlcA-6fobA:
38.9		 2zlcA-6fobA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJM_A_BJMA1_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.69A 3bjmA-6eotA:
29.3		 3bjmA-6eotA:
7.26
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.
3CE6_A_ADNA500_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.51A 3ce6A-6gbnA:
55.5		 3ce6A-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_B_ADNB500_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.62A 3ce6B-6f3mB:
52.2		 3ce6B-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_B_ADNB500_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.64A 3ce6B-6gbnA:
55.6		 3ce6B-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_C_ADNC500_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.50A 3ce6C-6gbnA:
55.7		 3ce6C-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
THR B 165
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
NAD B 501 ( 2.8A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.52A 3ce6D-6f3mB:
52.1		 3ce6D-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.51A 3ce6D-6gbnA:
55.6		 3ce6D-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELU_A_SAMA4633_0 3elu METHYLTRANSFERASE

Wesselsbron virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LEU A 105
ASN A 131
VAL A 132
PHE A 133
ASP A 146
ILE A 147		 SAM A4633 ( 3.7A)
SAM A4633 (-3.2A)
SAM A4633 (-3.4A)
SAM A4633 (-3.4A)
SAM A4633 (-3.5A)
SAM A4633 (-4.5A)
SAM A4633 (-4.1A)
SAM A4633 (-3.6A)
SAM A4633 (-3.4A)
SAM A4633 (-3.5A)
SAM A4633 (-3.7A)
SAM A4633 ( 4.2A)
 0.00A 3eluA-3eluA:
49.6		 3eluA-3eluA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FW3_A_ETSA302_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		ASN A 62
HIS A 64
GLN A 87
HIS A 89
HIS A 91
VAL A 110
ILE A 118
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184		 None
None
AZM A 302 (-4.4A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
AZM A 302 (-4.7A)
None
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.53A 3fw3A-4g7aA:
28.3		 3fw3A-4g7aA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FW3_B_ETSB303_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		ASN A 62
GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
ILE A 118
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184		 None
AZM A 302 (-4.4A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
None
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.40A 3fw3B-4g7aA:
28.2		 3fw3B-4g7aA:
29.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_A_T22A800_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.85A 3g0bA-6eotA:
30.8		 3g0bA-6eotA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_B_T22B800_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.85A 3g0bB-6eotA:
28.0		 3g0bB-6eotA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0B_D_T22D800_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.86A 3g0bD-6eotA:
30.2		 3g0bD-6eotA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
GLN A 60
ASP A 134
THR A 160
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
NA A 503 ( 3.2A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.42A 3g1uB-6gbnA:
59.8		 3g1uB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_C_ADNC438_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.6A)
None
 0.46A 3g1uC-6gbnA:
60.5		 3g1uC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ADND438_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
THR A 160
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.40A 3g1uD-6gbnA:
60.5		 3g1uD-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_B_ROFB902_0 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
MET A 357
PHE A 372		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
ZN A 602 (-2.5A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-3.9A)
None
AKJ A 601 (-4.1A)
AKJ A 601 (-3.8A)
AKJ A 601 ( 3.7A)
AKJ A 601 (-3.4A)
AKJ A 601 (-4.1A)
 0.43A 3g4lB-5wh6A:
54.0		 3g4lB-5wh6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_C_ROFC903_0 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
ASP A 318
LEU A 319
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
ZN A 602 (-2.5A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-4.3A)
AKJ A 601 (-3.9A)
AKJ A 601 (-4.8A)
None
AKJ A 601 (-4.1A)
AKJ A 601 (-3.8A)
AKJ A 601 (-3.4A)
 0.45A 3g4lC-5wh6A:
54.4		 3g4lC-5wh6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G4L_D_ROFD904_0 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
MET A 519
ASP A 564
LEU A 565
PRO A 568
TRP A 578
THR A 579
ILE A 582
MET A 583
SER A 614
GLN A 615		 None
None
9VE A 801 (-3.8A)
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
None
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 ( 4.0A)
9VE A 801 (-4.7A)
9VE A 801 (-3.2A)
 0.23A 3g4lD-5ohjA:
53.5		 3g4lD-5ohjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.39A 3glqA-6gbnA:
58.3		 3glqA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.42A 3glqB-6gbnA:
58.4		 3glqB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_A_BCZA468_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-4.0A)
None
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.46A 3k37A-3tiaA:
55.2		 3k37A-3tiaA:
29.98
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.
3K37_A_BCZA468_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
None
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.50A 3k37A-6br6A:
54.6		 3k37A-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K37_B_BCZB468_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-4.0A)
None
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-2.9A)
 0.36A 3k37B-3tiaA:
55.1		 3k37B-3tiaA:
29.98
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.
3K37_B_BCZB468_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 156
TRP A 178
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
ARG A 371		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
None
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-2.9A)
 0.45A 3k37B-6br6A:
54.4		 3k37B-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_A_BCZA1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.59A 3k39A-3tiaA:
54.7		 3k39A-3tiaA:
29.76
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.
3K39_A_BCZA1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.61A 3k39A-6br6A:
53.9		 3k39A-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_B_BCZB1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.51A 3k39B-3tiaA:
54.6		 3k39B-3tiaA:
29.76
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.
3K39_B_BCZB1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.57A 3k39B-6br6A:
54.0		 3k39B-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_C_BCZC1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
 0.59A 3k39C-3tiaA:
54.7		 3k39C-3tiaA:
29.76
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.
3K39_C_BCZC1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
 0.64A 3k39C-6br6A:
53.9		 3k39C-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_D_BCZD1001_0 3tia NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371		 LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-2.9A)
 0.60A 3k39D-3tiaA:
54.5		 3k39D-3tiaA:
29.76
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.
3K39_D_BCZD1001_0 6br6 NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371		 E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-2.9A)
 0.65A 3k39D-6br6A:
53.9		 3k39D-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_E_BCZE1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.58A 3k39E-3tiaA:
54.8		 3k39E-3tiaA:
29.76
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.
3K39_E_BCZE1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.60A 3k39E-6br6A:
54.0		 3k39E-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_F_BCZF1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.57A 3k39F-3tiaA:
54.8		 3k39F-3tiaA:
29.76
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.
3K39_F_BCZF1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.59A 3k39F-6br6A:
53.8		 3k39F-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_G_BCZG1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.58A 3k39G-3tiaA:
54.8		 3k39G-3tiaA:
29.76
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.
3K39_G_BCZG1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.60A 3k39G-6br6A:
54.0		 3k39G-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_H_BCZH1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.58A 3k39H-3tiaA:
54.7		 3k39H-3tiaA:
29.76
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.
3K39_H_BCZH1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.60A 3k39H-6br6A:
27.2		 3k39H-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_I_BCZI1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
 0.59A 3k39I-3tiaA:
54.7		 3k39I-3tiaA:
29.76
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.
3K39_I_BCZI1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
 0.64A 3k39I-6br6A:
53.9		 3k39I-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_J_BCZJ1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
 0.59A 3k39J-3tiaA:
54.7		 3k39J-3tiaA:
29.76
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.
3K39_J_BCZJ1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
 0.65A 3k39J-6br6A:
53.8		 3k39J-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_K_BCZK1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
 0.59A 3k39K-3tiaA:
54.7		 3k39K-3tiaA:
29.76
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.
3K39_K_BCZK1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
 0.64A 3k39K-6br6A:
53.9		 3k39K-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_L_BCZL1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
 0.58A 3k39L-3tiaA:
54.7		 3k39L-3tiaA:
29.76
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.
3K39_L_BCZL1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
 0.64A 3k39L-6br6A:
53.9		 3k39L-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_M_BCZM1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-4.4A)
 0.58A 3k39M-3tiaA:
54.7		 3k39M-3tiaA:
29.76
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.
3K39_M_BCZM1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.60A 3k39M-6br6A:
53.9		 3k39M-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_N_BCZN1001_0 3tia NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406		 LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-2.9A)
LNV A 801 (-4.4A)
 0.58A 3k39N-3tiaA:
54.7		 3k39N-3tiaA:
29.76
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.
3K39_N_BCZN1001_0 6br6 NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406		 E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.60A 3k39N-6br6A:
53.9		 3k39N-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_O_BCZO1001_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-2.9A)
LNV A 801 (-4.4A)
 0.60A 3k39O-3tiaA:
54.8		 3k39O-3tiaA:
29.76
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.
3K39_O_BCZO1001_0 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.62A 3k39O-6br6A:
53.9		 3k39O-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K39_P_BCZP1001_0 3tia NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406		 LNV A 801 (-3.5A)
None
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.8A)
LNV A 801 (-3.0A)
LNV A 801 (-2.9A)
LNV A 801 (-4.4A)
 0.59A 3k39P-3tiaA:
54.7		 3k39P-3tiaA:
29.76
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.
3K39_P_BCZP1001_0 6br6 NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406		 E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.61A 3k39P-6br6A:
54.0		 3k39P-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LMY_B_CP6B563_1 1yht DSPB

Aggregatibacter
actinomycetemcomi
tans 		ARG A 27
HIS A 53
ASP A 56
ASP A 116
HIS A 120
ASP A 183
GLU A 184
TRP A 216
TRP A 237
TYR A 278
TRP A 330
GLU A 332		 GOL A 751 (-3.2A)
None
None
None
None
ACY A 750 (-3.5A)
ACY A 750 ( 3.8A)
ACY A 750 (-3.2A)
ACY A 750 (-3.4A)
ACY A 750 (-4.6A)
GOL A 751 ( 4.0A)
GOL A 751 (-2.9A)
 0.57A 3lmyB-1yhtA:
29.1		 3lmyB-1yhtA:
21.95
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.
3LMY_B_CP6B563_1 3sut BETA-HEXOSAMINIDAS
E

Paenibacillus sp.
TS12 		ARG A 170
HIS A 196
ASP A 199
ASP A 254
HIS A 258
ASP A 321
GLU A 322
TRP A 352
TRP A 370
TYR A 395
TRP A 441
GLU A 443		 OAN A2000 (-2.8A)
None
OAN A2000 ( 4.4A)
None
OAN A2000 (-4.0A)
OAN A2000 (-4.0A)
OAN A2000 (-3.0A)
OAN A2000 ( 3.9A)
OAN A2000 (-3.4A)
OAN A2000 (-4.4A)
OAN A2000 (-3.7A)
OAN A2000 (-2.6A)
 0.39A 3lmyB-3sutA:
38.1		 3lmyB-3sutA:
26.60
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.
3LMY_B_CP6B563_1 5oar BETA-HEXOSAMINIDAS
E

Aspergillus
oryzae 		ARG B 193
HIS B 219
ASP B 222
ASP B 271
HIS B 275
ASP B 345
GLU B 346
TRP B 397
TRP B 419
TYR B 445
TRP B 517
GLU B 519		 NGT B 707 (-3.0A)
None
NGT B 707 ( 4.7A)
None
NGT B 707 (-4.0A)
NGT B 707 (-3.9A)
NGT B 707 (-3.1A)
NGT B 707 (-3.8A)
NGT B 707 (-3.6A)
NGT B 707 (-4.6A)
NGT B 707 (-3.8A)
NGT B 707 (-3.0A)
 0.48A 3lmyB-5oarB:
43.5		 3lmyB-5oarB:
9.43
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.
3MEK_A_SAMA510_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
TYR A 124
GLU A 130
ASN A 132
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-3.2A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.25A 3mekA-5xxgA:
64.8		 3mekA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_A_ADNA500_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.37A 3n58A-6gbnA:
59.1		 3n58A-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
THR B 165
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
NAD B 501 ( 2.8A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.37A 3n58C-6f3mB:
54.2		 3n58C-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.38A 3n58C-6gbnA:
25.0		 3n58C-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ADND500_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 347
LEU A 350
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.34A 3n58D-6gbnA:
59.2		 3n58D-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_A_ADNA506_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
THR B 165
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
NAD B 501 ( 2.8A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.17A 3ondA-6f3mB:
55.0		 3ondA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_A_ADNA506_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.19A 3ondA-6gbnA:
59.2		 3ondA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_B_ADNB507_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
THR B 165
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
NAD B 501 ( 2.8A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.17A 3ondB-6f3mB:
28.8		 3ondB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_B_ADNB507_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.20A 3ondB-6gbnA:
55.1		 3ondB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QWP_A_SAMA510_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-3.2A)
SAM A 502 (-4.1A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.20A 3qwpA-5xxgA:
64.6		 3qwpA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R24_A_SAMA302_0 3r24 2'-O-METHYL
TRANSFERASE

Severe acute
respiratory
syndrome-related
coronavirus 		ASN A 43
GLY A 71
SER A 74
PRO A 80
GLY A 81
LEU A 100
ASN A 101
ASP A 114
CYH A 115
MET A 131
PHE A 149
LYS A 170		 SAM A 302 (-3.5A)
SAM A 302 (-3.7A)
SAM A 302 ( 4.4A)
SAM A 302 (-3.8A)
SAM A 302 (-3.4A)
SAM A 302 (-4.4A)
SAM A 302 (-4.0A)
SAM A 302 (-3.4A)
SAM A 302 (-3.7A)
SAM A 302 (-3.7A)
SAM A 302 ( 4.8A)
SAM A 302 (-3.1A)
 0.07A 3r24A-3r24A:
54.4		 3r24A-3r24A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VT3_A_VDXA500_1 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		TYR A 175
LEU A 261
VAL A 262
SER A 265
SER A 303
SER A 306
TRP A 314
CYH A 316
VAL A 328
HIS A 333
LEU A 337
HIS A 423		 None
DZW A 501 ( 4.5A)
None
DZW A 501 (-3.0A)
DZW A 501 (-3.8A)
DZW A 501 (-2.7A)
DZW A 501 (-3.5A)
DZW A 501 (-3.4A)
DZW A 501 ( 4.3A)
DZW A 501 (-3.9A)
None
DZW A 501 (-4.0A)
 0.30A 3vt3A-6fobA:
38.3		 3vt3A-6fobA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_A_LF7A801_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.69A 3w2tA-6eotA:
30.3		 3w2tA-6eotA:
8.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_B_LF7B801_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.69A 3w2tB-6eotA:
30.2		 3w2tB-6eotA:
8.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_B_SORB397_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.49A 3ximB-1a0cA:
38.7		 3ximB-1a0cA:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_B_SORB397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
GLU A 229
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 304
ASP A 336		 None
None
None
None
None
MN A 491 ( 2.4A)
MN A 492 ( 4.8A)
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.55A 3ximB-1a0dA:
38.9		 3ximB-1a0dA:
26.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_B_SORB397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.58A 3ximB-1a0eA:
40.2		 3ximB-1a0eA:
26.21
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.
3XIM_B_SORB397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.58A 3ximB-4xkmA:
39.0		 3ximB-4xkmA:
27.88
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.
3XIM_B_SORB397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340		 None
None
None
None
None
FE2 A 501 (-2.2A)
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.56A 3ximB-5nhbA:
40.4		 3ximB-5nhbA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_D_SORD397_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.44A 3ximD-1a0cA:
38.7		 3ximD-1a0cA:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_D_SORD397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
GLU A 229
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 304
ASP A 336		 None
None
None
None
None
MN A 491 ( 2.4A)
MN A 492 ( 4.8A)
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.51A 3ximD-1a0dA:
38.8		 3ximD-1a0dA:
26.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3XIM_D_SORD397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.58A 3ximD-1a0eA:
40.2		 3ximD-1a0eA:
26.21
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.
3XIM_D_SORD397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.53A 3ximD-4xkmA:
39.1		 3ximD-4xkmA:
27.88
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.
3XIM_D_SORD397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340		 None
None
None
None
None
FE2 A 501 (-2.2A)
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.54A 3ximD-5nhbA:
40.3		 3ximD-5nhbA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_A_ZMRA700_1 4qn3 NEURAMINIDASE

Influenza A virus 		ARG A 36
GLU A 37
ASP A 69
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324		 None
 0.66A 4cpnA-4qn3A:
53.8		 4cpnA-4qn3A:
28.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_A_ZMRA700_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.56A 4cpnA-6br6A:
54.6		 4cpnA-6br6A:
9.23
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.
4CPN_B_ZMRB700_1 4qn3 NEURAMINIDASE

Influenza A virus 		ARG A 36
GLU A 37
ASP A 69
ARG A 74
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ARG A 290
TYR A 324		 None
 0.60A 4cpnB-4qn3A:
53.7		 4cpnB-4qn3A:
28.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_B_ZMRB700_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.45A 4cpnB-6br6A:
54.6		 4cpnB-6br6A:
9.23
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.
4CPZ_C_ZMRC1470_1 1v0z NEURAMINIDASE

Influenza A virus 		ARG A 124
GLU A 125
ASP A 157
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412		 None
 0.59A 4cpzC-1v0zA:
17.6		 4cpzC-1v0zA:
29.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_C_ZMRC1470_1 4qn3 NEURAMINIDASE

Influenza A virus 		ARG A 36
GLU A 37
ASP A 69
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324		 None
 0.64A 4cpzC-4qn3A:
53.5		 4cpzC-4qn3A:
28.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_C_ZMRC1470_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.53A 4cpzC-6br6A:
54.2		 4cpzC-6br6A:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_F_ZMRF1470_1 1v0z NEURAMINIDASE

Influenza A virus 		ARG A 124
GLU A 125
ASP A 157
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412		 None
 0.64A 4cpzF-1v0zA:
53.5		 4cpzF-1v0zA:
29.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_F_ZMRF1470_1 4qn3 NEURAMINIDASE

Influenza A virus 		ARG A 36
GLU A 37
ASP A 69
ARG A 143
GLU A 146
ALA A 165
GLU A 195
GLU A 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324		 None
 0.68A 4cpzF-4qn3A:
53.4		 4cpzF-4qn3A:
28.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_F_ZMRF1470_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.55A 4cpzF-6br6A:
54.1		 4cpzF-6br6A:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_G_ZMRG1471_1 1v0z NEURAMINIDASE

Influenza A virus 		ARG A 124
GLU A 125
ASP A 157
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412		 None
 0.60A 4cpzG-1v0zA:
53.5		 4cpzG-1v0zA:
29.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_G_ZMRG1471_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.54A 4cpzG-6br6A:
54.1		 4cpzG-6br6A:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_H_ZMRH1470_1 1v0z NEURAMINIDASE

Influenza A virus 		ARG A 124
GLU A 125
ASP A 157
ARG A 231
GLU A 234
ALA A 253
GLU A 283
GLU A 284
ARG A 299
ASN A 301
ARG A 378
TYR A 412		 None
 0.68A 4cpzH-1v0zA:
53.6		 4cpzH-1v0zA:
29.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_H_ZMRH1470_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.59A 4cpzH-6br6A:
54.2		 4cpzH-6br6A:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTJ_A_SAMA1263_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.3A)
SAH A1001 (-3.4A)
SAH A1001 (-3.4A)
SAH A1001 (-3.3A)
SAH A1001 (-3.5A)
SAH A1001 (-4.4A)
None
None
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.58A 4ctjA-5njuA:
40.4		 4ctjA-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_B_HFGB1602_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
GLY A 590		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.6A)
86X A1004 ( 4.2A)
 0.33A 4hvcB-5xiiA:
51.8		 4hvcB-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_B_HFGB1602_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.61A 4hvcB-5xipA:
50.2		 4hvcB-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I00_A_ZMRA509_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.44A 4i00A-6br6A:
65.7		 4i00A-6br6A:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K88_A_HFGA602_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
GLU A 441
ARG A 470
TRP A 487
GLU A 489
PHE A 534
HIS A 560
SER A 588		 86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
86X A1004 (-3.0A)
ANP A1001 ( 2.9A)
None
None
86X A1004 (-3.6A)
86X A1004 (-3.7A)
86X A1004 (-3.6A)
 0.63A 4k88A-5xiiA:
49.9		 4k88A-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K88_A_HFGA602_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		PHE A 307
GLU A 310
VAL A 311
PRO A 330
THR A 331
GLU A 333
ARG A 362
TRP A 379
GLU A 381
PHE A 426
HIS A 452
SER A 480		 HFG A 801 (-3.7A)
None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
HFG A 801 (-3.4A)
HFG A 801 (-3.0A)
ANP A 803 ( 3.1A)
None
HFG A 801 ( 4.9A)
HFG A 801 (-3.7A)
HFG A 801 (-4.2A)
HFG A 801 ( 3.8A)
 0.52A 4k88A-5xioA:
51.1		 4k88A-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K88_A_HFGA602_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
GLU A 361
ARG A 390
TRP A 407
GLU A 409
PHE A 454
HIS A 480
SER A 508		 HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
HFG A1003 (-2.9A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 (-3.4A)
HFG A1003 (-3.5A)
HFG A1003 ( 3.9A)
 0.74A 4k88A-5xipA:
48.9		 4k88A-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_A_ADNA501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.18A 4lvcA-6gbnA:
58.4		 4lvcA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_B_ADNB501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
HIS A 304
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.17A 4lvcB-6gbnA:
58.3		 4lvcB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_C_ADNC501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.13A 4lvcC-6gbnA:
58.5		 4lvcC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1 5ji5 BUPHA.10154.A.B1

Paraburkholderia
phymatum 		HIS A 20
PRO A 21
ASP A 83
HIS A 125
HIS A 126
GLY A 134
PHE A 135
ASP A 163
HIS A 165
ASP A 244
GLY A 286
TYR A 288		 None
None
EDO A 403 ( 4.6A)
None
EDO A 403 (-4.2A)
EDO A 403 (-3.6A)
EDO A 403 ( 3.8A)
ZN A 401 ( 2.2A)
ZN A 401 (-3.1A)
ZN A 401 (-2.5A)
ZN A 401 ( 4.2A)
None
 0.65A 4lxzA-5ji5A:
39.8		 4lxzA-5ji5A:
25.13
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.
4M2W_A_ETSA302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		LEU A 91
GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 None
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.1A)
V14 A 302 (-4.7A)
None
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.61A 4m2wA-6fe1A:
34.2		 4m2wA-6fe1A:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWR_A_ZMRA513_1 4cpn NEURAMINIDASE

Influenza B virus 		ARG A 115
GLU A 116
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 291
ASN A 293
ARG A 373
TYR A 408		 ZMR A 700 (-2.9A)
ZMR A 700 (-3.5A)
ZMR A 700 (-4.2A)
ZMR A 700 (-3.8A)
ZMR A 700 (-3.5A)
ZMR A 700 (-3.6A)
ZMR A 700 (-2.7A)
ZMR A 700 (-3.4A)
ZMR A 700 (-2.8A)
ZMR A 700 ( 3.9A)
ZMR A 700 (-3.0A)
ZMR A 700 (-4.6A)
 0.50A 4mwrA-4cpnA:
54.2		 4mwrA-4cpnA:
28.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWR_A_ZMRA513_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ASN A 294
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 ( 3.1A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.19A 4mwrA-6br6A:
64.6		 4mwrA-6br6A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWV_A_BCZA513_0 4cpn NEURAMINIDASE

Influenza B virus 		GLU A 116
LEU A 131
ASP A 148
ARG A 149
ARG A 153
TRP A 176
ILE A 220
ARG A 222
GLU A 274
GLU A 275
ARG A 291
TYR A 408		 ZMR A 700 (-3.5A)
None
ZMR A 700 (-3.3A)
ZMR A 700 (-4.0A)
ZMR A 700 (-4.2A)
None
None
ZMR A 700 (-3.8A)
ZMR A 700 (-2.7A)
ZMR A 700 (-3.4A)
ZMR A 700 (-2.8A)
ZMR A 700 (-4.6A)
 0.46A 4mwvA-4cpnA:
54.2		 4mwvA-4cpnA:
28.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWV_A_BCZA513_0 6br6 NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ASP A 151
ARG A 152
ARG A 156
TRP A 178
ILE A 222
ARG A 224
GLU A 276
GLU A 277
ARG A 292
TYR A 406		 E3M A 511 (-3.6A)
None
E3M A 511 (-2.9A)
E3M A 511 (-3.8A)
None
None
E3M A 511 ( 4.3A)
E3M A 511 (-3.8A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.46A 4mwvA-6br6A:
64.6		 4mwvA-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MX0_A_BCZA513_0 4cpn NEURAMINIDASE

Influenza B virus 		GLU A 116
LEU A 131
ARG A 149
ARG A 153
TRP A 176
SER A 177
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
TYR A 408		 ZMR A 700 (-3.5A)
None
ZMR A 700 (-4.0A)
ZMR A 700 (-4.2A)
None
ZMR A 700 ( 4.6A)
ZMR A 700 (-3.8A)
ZMR A 700 (-3.5A)
ZMR A 700 (-3.6A)
ZMR A 700 (-2.7A)
ZMR A 700 (-3.4A)
ZMR A 700 (-4.6A)
 0.56A 4mx0A-4cpnA:
54.2		 4mx0A-4cpnA:
28.72
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.
4MX0_A_BCZA513_0 6br6 NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
TYR A 406		 E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
None
E3M A 511 ( 4.0A)
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-4.5A)
 0.45A 4mx0A-6br6A:
64.4		 4mx0A-6br6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLF_A_HFGA802_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		PHE A 415
GLU A 418
VAL A 419
PRO A 438
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
TRP A 589
GLY A 590		 86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.6A)
None
86X A1004 ( 4.2A)
 0.33A 4olfA-5xiiA:
52.6		 4olfA-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_A_ADNA502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.16A 4pfjA-6gbnA:
64.5		 4pfjA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_B_ADNB502_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.63A 4pfjB-6f3mB:
56.6		 4pfjB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_B_ADNB502_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.60A 4pfjB-6gbnA:
63.0		 4pfjB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_1 6gbn -

- 		LEU A 55
HIS A 56
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
ASN A 349
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
NAD A 502 (-3.1A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.43A 4pgfA-6gbnA:
64.1		 4pgfA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_A_HFGA803_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
ARG A 470
TRP A 487
HIS A 491
PHE A 534
SER A 588
GLY A 590		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
ANP A1001 ( 2.9A)
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.6A)
86X A1004 ( 4.2A)
 0.27A 4q15A-5xiiA:
50.4		 4q15A-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_A_HFGA803_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
HIS A 411
PHE A 454
SER A 508
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.51A 4q15A-5xipA:
53.1		 4q15A-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_B_HFGB803_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
ARG A 470
TRP A 487
GLU A 489
PHE A 534
SER A 588
GLY A 590		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
ANP A1001 ( 2.9A)
None
None
86X A1004 (-3.6A)
86X A1004 (-3.6A)
86X A1004 ( 4.2A)
 0.24A 4q15B-5xiiA:
51.3		 4q15B-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_B_HFGB803_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
PHE A 307
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
GLU A 381
PHE A 426
SER A 480
GLY A 482		 None
HFG A 801 (-3.7A)
None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
HFG A 801 (-3.4A)
ANP A 803 ( 3.1A)
None
HFG A 801 ( 4.9A)
HFG A 801 (-3.7A)
HFG A 801 ( 3.8A)
HFG A 801 (-3.9A)
 0.54A 4q15B-5xioA:
48.8		 4q15B-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_B_HFGB803_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
GLU A 409
PHE A 454
SER A 508
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 (-3.4A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.52A 4q15B-5xipA:
50.1		 4q15B-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_G_AZMG402_1 1jd0 CARBONIC ANHYDRASE
XII

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 AZM A1400 (-3.2A)
ZN A 901 ( 3.2A)
ZN A 901 ( 3.2A)
ZN A 901 ( 4.5A)
ZN A 901 ( 3.1A)
AZM A1400 (-4.6A)
None
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.51A 4xiwG-1jd0A:
25.5		 4xiwG-1jd0A:
29.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_G_AZMG402_1 1rj6 CARBONIC ANHYDRASE
XIV

Mus musculus 		GLN A 92
HIS A 94
HIS A 96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 AZM A 400 (-4.3A)
ZN A 601 ( 3.3A)
ZN A 601 (-3.3A)
ZN A 601 ( 4.5A)
ZN A 601 ( 3.2A)
AZM A 400 (-4.8A)
None
None
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.39A 4xiwG-1rj6A:
26.4		 4xiwG-1rj6A:
29.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_G_AZMG402_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
LEU A 146
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212		 None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 ( 4.7A)
ZN A 301 (-3.2A)
None
None
None
None
ZN A 301 (-4.4A)
None
None
 0.37A 4xiwG-6ekiA:
28.8		 4xiwG-6ekiA:
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.
4XIW_G_AZMG402_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
GLU A 106
HIS A 119
VAL A 121
LEU A 141
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
V14 A 302 (-4.2A)
ZN A 301 ( 3.1A)
V14 A 302 (-4.7A)
None
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.52A 4xiwG-6fe1A:
26.5		 4xiwG-6fe1A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_A_HFGA802_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
SER A 508
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.74A 4ydqA-5xipA:
51.8		 4ydqA-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YVG_A_SAMA301_0 5wyr TRNA
(GUANINE-N(1)-)-ME
THYLTRANSFERASE

Pseudomonas
aeruginosa 		LEU A 92
SER A 93
PRO A 94
GLY A 118
GLU A 121
GLY A 122
SER A 137
ILE A 138
LEU A 143
GLY A 145
GLY A 146
PRO A 149		 SFG A 400 (-4.6A)
None
SFG A 400 (-3.7A)
SFG A 400 (-3.4A)
SFG A 400 (-4.1A)
SFG A 400 (-3.6A)
SFG A 400 (-3.3A)
SFG A 400 (-4.4A)
SFG A 400 (-4.2A)
SFG A 400 (-3.2A)
SFG A 400 (-3.7A)
SFG A 400 (-4.4A)
 0.32A 4yvgA-5wyrA:
30.2		 4yvgA-5wyrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_A_ADNA502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.17A 5axaA-6gbnA:
63.6		 5axaA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AXA_C_ADNC502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.15A 5axaC-6gbnA:
63.6		 5axaC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CCL_A_SAMA504_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-3.2A)
SAM A 502 (-4.1A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.59A 5cclA-5xxgA:
62.5		 5cclA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CCM_A_SAMA504_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
TYR A 124
GLU A 130
ASN A 132
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-3.2A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.26A 5ccmA-5xxgA:
64.1		 5ccmA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DGR_A_GCSA602_1 6gdt -

- 		ASP A 140
ALA A 141
ASP A 144
TYR A 148
HIS A 151
TRP A 220
TRP A 438
GLN A 440
ASN A 515
TRP A 542
GLU A 546
TRP A 548		 None
 0.31A 5dgrA-6gdtA:
66.8		 5dgrA-6gdtA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_A_SHHA2004_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		PRO B 501
SER B 568
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782		 TSN B2501 (-4.8A)
TSN B2501 ( 4.3A)
TSN B2501 (-3.8A)
TSN B2501 (-3.9A)
TSN B2501 ( 3.8A)
TSN B2501 (-3.7A)
ZN B2502 (-2.2A)
ZN B2502 (-3.2A)
TSN B2501 (-3.7A)
ZN B2502 ( 2.7A)
TSN B2501 (-4.2A)
TSN B2501 (-4.2A)
 0.34A 5eeiA-5eduB:
62.8		 5eeiA-5eduB:
29.34
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.
5EEI_B_SHHB801_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		PRO B 501
SER B 568
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782		 TSN B2501 (-4.8A)
TSN B2501 ( 4.3A)
TSN B2501 (-3.8A)
TSN B2501 (-3.9A)
TSN B2501 ( 3.8A)
TSN B2501 (-3.7A)
ZN B2502 (-2.2A)
ZN B2502 (-3.2A)
TSN B2501 (-3.7A)
ZN B2502 ( 2.7A)
TSN B2501 (-4.2A)
TSN B2501 (-4.2A)
 0.35A 5eeiB-5eduB:
63.2		 5eeiB-5eduB:
29.34
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.
5EEN_A_5OGA804_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		HIS B 500
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782		 TSN B2501 ( 4.4A)
TSN B2501 (-4.8A)
TSN B2501 ( 4.3A)
TSN B2501 (-3.8A)
TSN B2501 (-3.9A)
TSN B2501 (-3.7A)
ZN B2502 (-2.2A)
ZN B2502 (-3.2A)
TSN B2501 (-3.7A)
ZN B2502 ( 2.7A)
TSN B2501 ( 4.0A)
TSN B2501 (-4.2A)
 0.25A 5eenA-5eduB:
63.5		 5eenA-5eduB:
29.34
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.
5EEN_B_5OGB804_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		HIS B 500
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782		 TSN B2501 ( 4.4A)
TSN B2501 (-4.8A)
TSN B2501 ( 4.3A)
TSN B2501 (-3.8A)
TSN B2501 (-3.9A)
TSN B2501 (-3.7A)
ZN B2502 (-2.2A)
ZN B2502 (-3.2A)
TSN B2501 (-3.7A)
ZN B2502 ( 2.7A)
TSN B2501 (-4.2A)
TSN B2501 (-4.2A)
 0.28A 5eenB-5eduB:
63.4		 5eenB-5eduB:
29.34
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.
5EF8_A_LBHA2004_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		ASP B 497
HIS B 500
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
TYR B 782		 TSN B2501 ( 4.5A)
TSN B2501 ( 4.4A)
TSN B2501 (-4.8A)
TSN B2501 ( 4.3A)
TSN B2501 (-3.8A)
TSN B2501 (-3.9A)
TSN B2501 (-3.7A)
ZN B2502 (-2.2A)
ZN B2502 (-3.2A)
TSN B2501 (-3.7A)
ZN B2502 ( 2.7A)
TSN B2501 (-4.2A)
 0.34A 5ef8A-5eduB:
63.6		 5ef8A-5eduB:
29.34
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.
5EF8_B_LBHB2004_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		ASP B 497
PRO B 501
SER B 568
HIS B 610
HIS B 611
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782		 TSN B2501 ( 4.5A)
TSN B2501 (-4.8A)
TSN B2501 ( 4.3A)
TSN B2501 (-3.8A)
TSN B2501 (-3.9A)
TSN B2501 (-3.7A)
ZN B2502 (-2.2A)
ZN B2502 (-3.2A)
TSN B2501 (-3.7A)
ZN B2502 ( 2.7A)
TSN B2501 (-4.2A)
TSN B2501 (-4.2A)
 0.34A 5ef8B-5eduB:
63.6		 5ef8B-5eduB:
29.34
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.
5EHI_A_SAMA4001_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.3A)
SAH A1001 (-3.4A)
SAH A1001 (-3.4A)
SAH A1001 (-3.3A)
SAH A1001 (-3.5A)
SAH A1001 (-4.4A)
None
None
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.56A 5ehiA-5njuA:
40.5		 5ehiA-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_A_SAMA301_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.3A)
SAH A1001 (-3.4A)
SAH A1001 (-3.4A)
SAH A1001 (-3.3A)
SAH A1001 (-3.5A)
SAH A1001 (-4.4A)
None
None
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.62A 5eiwA-5njuA:
40.2		 5eiwA-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_A_SAMA301_0 5e9q GENOME POLYPROTEIN

Dengue virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAM A 301 (-2.7A)
SAM A 301 (-3.2A)
SAM A 301 (-3.3A)
SAM A 301 (-3.1A)
SAM A 301 (-3.1A)
SAM A 301 (-3.6A)
SAM A 301 (-4.6A)
None
SAM A 301 (-3.4A)
SAM A 301 (-3.6A)
SAM A 301 (-3.8A)
SAM A 301 ( 4.2A)
 0.20A 5ekxA-5e9qA:
45.5		 5ekxA-5e9qA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_A_SAMA301_0 5jjr GENOME POLYPROTEIN

Dengue virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1003 (-2.7A)
SAH A1003 (-3.2A)
SAH A1003 (-3.4A)
SAH A1003 (-3.5A)
SAH A1003 (-3.0A)
SAH A1003 (-3.4A)
SAH A1003 (-4.6A)
SAH A1003 (-4.8A)
SAH A1003 (-3.0A)
SAH A1003 (-3.7A)
SAH A1003 (-3.8A)
SAH A1003 ( 4.3A)
 0.51A 5ekxA-5jjrA:
43.9		 5ekxA-5jjrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_A_SAMA301_0 5nju GENOME POLYPROTEIN

Zika virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-2.6A)
SAH A1001 (-3.3A)
SAH A1001 (-3.4A)
SAH A1001 (-3.4A)
SAH A1001 (-3.3A)
SAH A1001 (-3.5A)
SAH A1001 (-4.4A)
None
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.51A 5ekxA-5njuA:
40.6		 5ekxA-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H1E_A_VDXA501_1 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		TYR A 175
PHE A 182
LEU A 261
SER A 265
ILE A 299
ARG A 302
SER A 303
SER A 306
TRP A 314
VAL A 328
HIS A 333
HIS A 423		 None
None
DZW A 501 ( 4.5A)
DZW A 501 (-3.0A)
DZW A 501 (-4.7A)
DZW A 501 (-3.8A)
DZW A 501 (-3.8A)
DZW A 501 (-2.7A)
DZW A 501 (-3.5A)
DZW A 501 ( 4.3A)
DZW A 501 (-3.9A)
DZW A 501 (-4.0A)
 0.34A 5h1eA-6fobA:
38.0		 5h1eA-6fobA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_A_ADNA501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.21A 5hm8A-6gbnA:
27.3		 5hm8A-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_B_ADNB501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.21A 5hm8B-6gbnA:
27.3		 5hm8B-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_C_ADNC501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.21A 5hm8C-6gbnA:
29.7		 5hm8C-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_D_ADND501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.21A 5hm8D-6gbnA:
27.3		 5hm8D-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_E_ADNE501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.21A 5hm8E-6gbnA:
53.4		 5hm8E-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_F_ADNF501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.21A 5hm8F-6gbnA:
52.9		 5hm8F-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_G_ADNG501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.21A 5hm8G-6gbnA:
52.8		 5hm8G-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_H_ADNH501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.22A 5hm8H-6gbnA:
53.3		 5hm8H-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNA_A_TORA302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		ASN A 62
SER A 65
GLN A 92
HIS A 94
HIS A 96
GLU A 106
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200		 V14 A 302 (-3.4A)
V14 A 302 ( 4.6A)
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
V14 A 302 (-4.2A)
ZN A 301 ( 3.1A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
 0.44A 5jnaA-6fe1A:
32.4		 5jnaA-6fe1A:
16.24
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.
5JNA_B_TORB302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		ASN A 62
SER A 65
GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 V14 A 302 (-3.4A)
V14 A 302 ( 4.6A)
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.1A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.42A 5jnaB-6fe1A:
32.7		 5jnaB-6fe1A:
16.24
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.
5JNA_D_TORD302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		ASN A 62
SER A 65
GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 V14 A 302 (-3.4A)
V14 A 302 ( 4.6A)
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.1A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.40A 5jnaD-6fe1A:
32.0		 5jnaD-6fe1A:
16.24
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.
5L17_A_ZMRA512_1 4cpn NEURAMINIDASE

Influenza B virus 		ARG A 115
GLU A 116
ASP A 148
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 274
GLU A 275
ARG A 291
ARG A 373
TYR A 408		 ZMR A 700 (-2.9A)
ZMR A 700 (-3.5A)
ZMR A 700 (-3.3A)
ZMR A 700 (-4.2A)
ZMR A 700 (-3.8A)
ZMR A 700 (-3.5A)
ZMR A 700 (-3.6A)
ZMR A 700 (-2.7A)
ZMR A 700 (-3.4A)
ZMR A 700 (-2.8A)
ZMR A 700 (-3.0A)
ZMR A 700 (-4.6A)
 0.51A 5l17A-4cpnA:
54.4		 5l17A-4cpnA:
28.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L17_A_ZMRA512_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
GLU A 277
ARG A 292
ARG A 371
TYR A 406		 E3M A 511 (-3.0A)
E3M A 511 (-3.6A)
E3M A 511 (-2.9A)
None
E3M A 511 (-3.8A)
E3M A 511 ( 4.8A)
E3M A 511 (-3.1A)
E3M A 511 (-2.3A)
E3M A 511 ( 3.6A)
E3M A 511 (-2.9A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.29A 5l17A-6br6A:
64.7		 5l17A-6br6A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_A_ADNA502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.17A 5m5kA-6gbnA:
58.1		 5m5kA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_B_ADNB502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.34A 5m5kB-6gbnA:
31.4		 5m5kB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_C_ADNC502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.16A 5m5kC-6gbnA:
57.8		 5m5kC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.16A 5m66A-6gbnA:
58.1		 5m66A-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_B_ADNB502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.17A 5m66B-6gbnA:
30.5		 5m66B-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6f3m -

- 		HIS B 61
THR B 63
GLN B 65
ASP B 139
THR B 165
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
K B 504 ( 3.0A)
ZN B 505 ( 2.5A)
NAD B 501 ( 2.8A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.17A 5m66C-6f3mB:
53.9		 5m66C-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		HIS A 56
THR A 58
GLN A 60
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
NA A 503 ( 3.2A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.17A 5m66C-6gbnA:
58.2		 5m66C-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ADND502_1 6f3m -

- 		HIS B 61
THR B 63
GLN B 65
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
K B 504 ( 3.0A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.20A 5m66D-6f3mB:
53.3		 5m66D-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ADND502_1 6gbn -

- 		HIS A 56
THR A 58
GLN A 60
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
NA A 503 ( 3.2A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.19A 5m66D-6gbnA:
31.5		 5m66D-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_B_SAMB501_0 5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1

Homo sapiens 		LEU A 290
ALA A 292
ILE A 309
GLY A 310
ASP A 314
THR A 321
SER A 322
LEU A 336
LEU A 338
ASN A 350
LEU A 351
MET A 356		 SAM A 501 (-4.2A)
SAM A 501 (-3.4A)
SAM A 501 (-4.4A)
SAM A 501 (-3.3A)
SAM A 501 (-2.9A)
SAM A 501 (-4.2A)
SAM A 501 (-2.7A)
SAM A 501 (-3.9A)
SAM A 501 (-4.7A)
SAM A 501 (-4.1A)
SAM A 501 (-4.0A)
SAM A 501 (-3.5A)
 0.17A 5nfjB-5nfjA:
32.3		 5nfjB-5nfjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_C_SAMC501_0 5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1

Homo sapiens 		LEU A 290
ALA A 292
ILE A 309
GLY A 310
ASP A 314
THR A 321
SER A 322
LEU A 336
LEU A 338
ASN A 350
LEU A 351
MET A 356		 SAM A 501 (-4.2A)
SAM A 501 (-3.4A)
SAM A 501 (-4.4A)
SAM A 501 (-3.3A)
SAM A 501 (-2.9A)
SAM A 501 (-4.2A)
SAM A 501 (-2.7A)
SAM A 501 (-3.9A)
SAM A 501 (-4.7A)
SAM A 501 (-4.1A)
SAM A 501 (-4.0A)
SAM A 501 (-3.5A)
 0.19A 5nfjC-5nfjA:
33.2		 5nfjC-5nfjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NJV_B_SAMB301_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.3A)
SAH A1001 (-3.4A)
SAH A1001 (-3.4A)
SAH A1001 (-3.3A)
SAH A1001 (-3.5A)
SAH A1001 (-4.4A)
None
SAH A1001 (-4.0A)
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.38A 5njvB-5njuA:
43.2		 5njvB-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_A_BZMA301_0 5nnb ISATIN HYDROLASE A

Labrenzia
aggregata 		ILE A 32
LEU A 34
HIS A 79
TRP A 80
PRO A 163
SER A 165
VAL A 190
GLY A 191
ASP A 193
GLY A 195
TYR A 204
HIS A 207		 92K A 302 (-4.1A)
92K A 302 (-4.4A)
92K A 302 (-3.2A)
None
None
None
None
92K A 302 ( 4.3A)
None
None
92K A 302 (-3.6A)
92K A 302 (-4.0A)
 0.43A 5nnaA-5nnbA:
43.5		 5nnaA-5nnbA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_B_BZMB301_0 5nnb ISATIN HYDROLASE A

Labrenzia
aggregata 		ILE A 32
LEU A 34
HIS A 79
TRP A 80
PRO A 163
SER A 165
VAL A 190
GLY A 191
ASP A 193
GLY A 195
TYR A 204
HIS A 207		 92K A 302 (-4.1A)
92K A 302 (-4.4A)
92K A 302 (-3.2A)
None
None
None
None
92K A 302 ( 4.3A)
None
None
92K A 302 (-3.6A)
92K A 302 (-4.0A)
 0.40A 5nnaB-5nnbA:
43.8		 5nnaB-5nnbA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_C_BZMC301_0 5nnb ISATIN HYDROLASE A

Labrenzia
aggregata 		ILE A 32
LEU A 34
HIS A 79
TRP A 80
PRO A 163
SER A 165
VAL A 190
GLY A 191
ASP A 193
GLY A 195
TYR A 204
HIS A 207		 92K A 302 (-4.1A)
92K A 302 (-4.4A)
92K A 302 (-3.2A)
None
None
None
None
92K A 302 ( 4.3A)
None
None
92K A 302 (-3.6A)
92K A 302 (-4.0A)
 0.42A 5nnaC-5nnbA:
43.4		 5nnaC-5nnbA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_D_BZMD301_0 5nnb ISATIN HYDROLASE A

Labrenzia
aggregata 		ILE A 32
LEU A 34
HIS A 79
TRP A 80
PRO A 163
SER A 165
VAL A 190
GLY A 191
ASP A 193
GLY A 195
TYR A 204
HIS A 207		 92K A 302 (-4.1A)
92K A 302 (-4.4A)
92K A 302 (-3.2A)
None
None
None
None
92K A 302 ( 4.3A)
None
None
92K A 302 (-3.6A)
92K A 302 (-4.0A)
 0.46A 5nnaD-5nnbA:
42.9		 5nnaD-5nnbA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_2_PQN2843_1 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Pisum sativum 		TRP B 22
ILE B 25
MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705		 CLA B1238 ( 4.0A)
CLA B1201 ( 4.7A)
CLA B9023 ( 3.3A)
PQN B5002 ( 4.3A)
PQN B5002 (-3.2A)
None
None
PQN B5002 ( 3.3A)
CLA B1238 (-3.9A)
PQN B5002 (-3.2A)
PQN B5002 (-3.7A)
PQN B5002 (-3.4A)
 0.42A 5oy02-4rkuB:
43.3		 5oy02-4rkuB:
11.41
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.
5UBB_A_SAMA301_0 6dub -

- 		TYR A 76
MET A 86
GLY A 124
VAL A 130
MET A 147
SER A 173
LEU A 174
GLN A 190
TRP A 191
VAL A 192
HIS A 195
LEU A 196		 SAH A 301 (-3.7A)
SAH A 301 (-3.9A)
SAH A 301 (-3.9A)
None
SAH A 301 (-3.5A)
UNX A 311 (-4.0A)
SAH A 301 (-4.0A)
SAH A 301 (-4.2A)
GOL A 303 ( 4.9A)
UNX A 316 ( 4.3A)
SAH A 301 (-3.9A)
None
 0.11A 5ubbA-6dubA:
38.7		 5ubbA-6dubA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.20A 5utuF-6gbnA:
55.7		 5utuF-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V37_A_SAMA504_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-3.2A)
SAM A 502 (-4.1A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.54A 5v37A-5xxgA:
64.0		 5v37A-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_A_ADNA502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.18A 5v96A-6gbnA:
28.9		 5v96A-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_B_ADNB502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.18A 5v96B-6gbnA:
57.0		 5v96B-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_C_ADNC502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.16A 5v96C-6gbnA:
28.4		 5v96C-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V96_D_ADND502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.19A 5v96D-6gbnA:
57.0		 5v96D-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_D_CVID301_0 5vlg REGULATORY PROTEIN
TETR

[Enterobacter]
lignolyticus 		MET A 67
MET A 68
ALA A 86
LEU A 94
ARG A 102
TYR A 118
VAL A 159
CYH A 160
TYR A 166
ASP A 175
PHE A 178
THR A 179		 MGR A 300 (-4.6A)
None
None
MGR A 300 ( 4.7A)
MGR A 300 (-4.3A)
None
MGR A 300 (-4.4A)
MGR A 300 (-2.8A)
MGR A 300 (-3.0A)
MGR A 300 ( 4.3A)
MGR A 300 (-3.1A)
None
 0.60A 5vlmD-5vlgA:
29.7		 5vlmD-5vlgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_D_C2FD3001_0 5vop 5-METHYLTETRAHYDRO
FOLATE
HOMOCYSTEINE
S-METHYLTRANSFERAS
E

Thermus
thermophilus 		GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
MET A 441
VAL A 490
LEU A 492
GLY A 570
SER A 572
PHE A 576
ILE A 603		 C2F A3001 (-3.7A)
NA A3005 (-3.0A)
C2F A3001 (-3.3A)
None
C2F A3001 ( 3.8A)
C2F A3001 ( 4.8A)
C2F A3001 ( 4.7A)
None
C2F A3001 (-3.5A)
C2F A3001 ( 4.5A)
C2F A3001 (-4.7A)
C2F A3001 (-3.5A)
 0.54A 5vooD-5vopA:
46.4		 5vooD-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_F_C2FF3001_0 5vop 5-METHYLTETRAHYDRO
FOLATE
HOMOCYSTEINE
S-METHYLTRANSFERAS
E

Thermus
thermophilus 		GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
PHE A 576
ARG A 583
ILE A 603		 C2F A3001 (-3.7A)
NA A3005 (-3.0A)
C2F A3001 (-3.3A)
None
C2F A3001 ( 3.8A)
C2F A3001 ( 4.7A)
None
C2F A3001 (-3.5A)
C2F A3001 ( 4.5A)
C2F A3001 (-4.7A)
C2F A3001 (-3.0A)
C2F A3001 (-3.5A)
 0.52A 5vooF-5vopA:
45.7		 5vooF-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_A_C2FA3001_0 5vop 5-METHYLTETRAHYDRO
FOLATE
HOMOCYSTEINE
S-METHYLTRANSFERAS
E

Thermus
thermophilus 		GLU A 373
ASN A 376
GLY A 379
ASP A 411
VAL A 490
LEU A 492
VAL A 568
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603		 C2F A3001 (-3.7A)
NA A3005 (-3.0A)
C2F A3001 (-3.3A)
C2F A3001 ( 3.8A)
C2F A3001 ( 4.7A)
None
None
C2F A3001 (-3.5A)
C2F A3001 ( 4.5A)
C2F A3001 (-2.6A)
C2F A3001 (-3.0A)
C2F A3001 (-3.5A)
 0.00A 5vopA-5vopA:
50.8		 5vopA-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOP_B_C2FB3001_0 5vop 5-METHYLTETRAHYDRO
FOLATE
HOMOCYSTEINE
S-METHYLTRANSFERAS
E

Thermus
thermophilus 		GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
ASN A 573
ARG A 583
ILE A 603		 C2F A3001 (-3.7A)
NA A3005 (-3.0A)
C2F A3001 (-3.3A)
None
C2F A3001 ( 3.8A)
C2F A3001 ( 4.7A)
None
C2F A3001 (-3.5A)
C2F A3001 ( 4.5A)
C2F A3001 (-2.6A)
C2F A3001 (-3.0A)
C2F A3001 (-3.5A)
 0.48A 5vopB-5vopA:
46.9		 5vopB-5vopA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WY0_A_SAMA800_0 5wy0 SMALL RNA
2'-O-METHYLTRANSFE
RASE

Homo sapiens 		GLY A 25
GLY A 27
ASP A 48
ILE A 49
ASN A 50
LYS A 53
SER A 84
VAL A 85
ILE A 101
LEU A 103
HIS A 106
LEU A 107		 SAM A 800 (-3.6A)
SAM A 800 (-3.5A)
SAM A 800 (-2.8A)
SAM A 800 (-4.0A)
None
SAM A 800 (-4.8A)
SAM A 800 (-3.4A)
SAM A 800 (-3.5A)
SAM A 800 (-4.3A)
SAM A 800 (-4.4A)
SAM A 800 (-4.1A)
None
 0.01A 5wy0A-5wy0A:
39.0		 5wy0A-5wy0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0 5wyr TRNA
(GUANINE-N(1)-)-ME
THYLTRANSFERASE

Pseudomonas
aeruginosa 		LEU A 92
PRO A 94
GLN A 95
GLY A 118
GLY A 122
SER A 137
ILE A 138
VAL A 142
LEU A 143
GLY A 145
GLY A 146
PRO A 149		 SFG A 400 (-4.6A)
SFG A 400 (-3.7A)
SFG A 400 (-2.7A)
SFG A 400 (-3.4A)
SFG A 400 (-3.6A)
SFG A 400 (-3.3A)
SFG A 400 (-4.4A)
SFG A 400 ( 4.1A)
SFG A 400 (-4.2A)
SFG A 400 (-3.2A)
SFG A 400 (-3.7A)
SFG A 400 (-4.4A)
 0.22A 5wyqA-5wyrA:
32.6		 5wyqA-5wyrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_B_SAMB301_0 5wyr TRNA
(GUANINE-N(1)-)-ME
THYLTRANSFERASE

Pseudomonas
aeruginosa 		TYR A 91
LEU A 92
PRO A 94
GLN A 95
GLY A 118
SER A 137
ILE A 138
TYR A 141
LEU A 143
GLY A 145
GLY A 146
PRO A 149		 SFG A 400 (-4.6A)
SFG A 400 (-4.6A)
SFG A 400 (-3.7A)
SFG A 400 (-2.7A)
SFG A 400 (-3.4A)
SFG A 400 (-3.3A)
SFG A 400 (-4.4A)
SFG A 400 (-4.6A)
SFG A 400 (-4.2A)
SFG A 400 (-3.2A)
SFG A 400 (-3.7A)
SFG A 400 (-4.4A)
 0.24A 5wyqB-5wyrA:
31.4		 5wyqB-5wyrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ2_B_SAMB601_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.3A)
SAH A1001 (-3.4A)
SAH A1001 (-3.4A)
SAH A1001 (-3.3A)
SAH A1001 (-3.5A)
SAH A1001 (-4.4A)
None
SAH A1001 (-4.0A)
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.49A 5wz2B-5njuA:
43.1		 5wz2B-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIM_A_SORA397_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.45A 5ximA-1a0cA:
38.8		 5ximA-1a0cA:
27.25
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.
5XIM_A_SORA397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
GLU A 229
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 304
ASP A 336		 None
None
None
None
None
MN A 491 ( 2.4A)
MN A 492 ( 4.8A)
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.48A 5ximA-1a0dA:
39.0		 5ximA-1a0dA:
26.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIM_A_SORA397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.59A 5ximA-1a0eA:
40.4		 5ximA-1a0eA:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIM_A_SORA397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.53A 5ximA-4xkmA:
39.1		 5ximA-4xkmA:
27.88
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.
5XIM_A_SORA397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340		 None
None
None
None
None
FE2 A 501 (-2.2A)
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.51A 5ximA-5nhbA:
40.4		 5ximA-5nhbA:
27.74
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.
5XIM_C_SORC397_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.47A 5ximC-1a0cA:
38.9		 5ximC-1a0cA:
27.25
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.
5XIM_C_SORC397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
GLU A 229
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 304
ASP A 336		 None
None
None
None
None
MN A 491 ( 2.4A)
MN A 492 ( 4.8A)
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.50A 5ximC-1a0dA:
38.7		 5ximC-1a0dA:
26.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIM_C_SORC397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
GLU A 231
LYS A 233
GLU A 267
HIS A 270
ASP A 295
ASP A 306
ASP A 338		 None
None
None
None
None
CO A 491 ( 2.4A)
CO A 492 ( 4.4A)
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
CO A 491 ( 3.0A)
 0.54A 5ximC-1a0eA:
40.2		 5ximC-1a0eA:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIM_C_SORC397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
GLU A 234
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
MN A 501 (-2.5A)
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
MN A 501 (-3.1A)
 0.53A 5ximC-4xkmA:
39.0		 5ximC-4xkmA:
27.88
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.
5XIM_C_SORC397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
GLU A 233
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 308
ASP A 340		 None
None
None
None
None
FE2 A 501 (-2.2A)
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.52A 5ximC-5nhbA:
40.3		 5ximC-5nhbA:
27.74
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.
5XIO_A_HFGA801_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		PHE A 307
GLU A 310
VAL A 311
PRO A 330
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482		 HFG A 801 (-3.7A)
None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
ANP A 803 ( 3.1A)
None
HFG A 801 ( 4.9A)
HFG A 801 ( 4.7A)
HFG A 801 (-3.7A)
ANP A 803 (-3.9A)
HFG A 801 ( 3.8A)
HFG A 801 (-3.9A)
 0.00A 5xioA-5xioA:
60.2		 5xioA-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_B_HFGB802_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
HIS A 560		 86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
ANP A1001 ( 2.9A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.7A)
 0.47A 5xioB-5xiiA:
51.8		 5xioB-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIO_B_HFGB802_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		PHE A 307
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
HIS A 452		 HFG A 801 (-3.7A)
None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
HFG A 801 (-3.4A)
ANP A 803 ( 3.1A)
None
HFG A 801 ( 4.9A)
HFG A 801 ( 4.7A)
HFG A 801 (-3.7A)
ANP A 803 (-3.9A)
HFG A 801 (-4.2A)
 0.34A 5xioB-5xioA:
56.6		 5xioB-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
ARG A 470
HIS A 491
PHE A 534
THR A 558
SER A 588
GLY A 590		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
ANP A1001 ( 2.9A)
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.6A)
86X A1004 ( 4.2A)
 0.56A 5xipA-5xiiA:
53.0		 5xipA-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
ANP A1001 (-2.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.00A 5xipA-5xipA:
62.1		 5xipA-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_B_HFGB1003_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
GLU A 441
ARG A 470
TRP A 487
HIS A 491
PHE A 534
THR A 558
HIS A 560		 86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
86X A1004 (-3.0A)
ANP A1001 ( 2.9A)
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.7A)
 0.52A 5xipB-5xiiA:
52.7		 5xipB-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_B_HFGB1003_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
GLU A 361
ARG A 390
TRP A 407
HIS A 411
PHE A 454
THR A 478
HIS A 480		 HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
HFG A1003 (-2.9A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 (-3.5A)
 0.36A 5xipB-5xipA:
56.8		 5xipB-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_C_HFGC1003_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
GLU A 418
VAL A 419
PRO A 438
THR A 439
GLU A 441
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
GLY A 590		 None
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
86X A1004 (-3.0A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 ( 4.2A)
 0.34A 5xipC-5xiiA:
52.5		 5xipC-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_C_HFGC1003_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
GLU A 338
VAL A 339
PRO A 358
THR A 359
GLU A 361
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 510		 None
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
HFG A1003 (-2.9A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
 0.26A 5xipC-5xipA:
54.5		 5xipC-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_D_HFGD1003_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
GLU A 418
VAL A 419
PRO A 438
THR A 439
GLU A 441
ARG A 470
TRP A 487
GLU A 489
PHE A 534
THR A 558
TRP A 589		 None
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
86X A1004 (-3.0A)
ANP A1001 ( 2.9A)
None
None
86X A1004 (-3.6A)
86X A1004 (-3.9A)
None
 0.39A 5xipD-5xiiA:
52.6		 5xipD-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_D_HFGD1003_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
GLU A 338
VAL A 339
PRO A 358
THR A 359
GLU A 361
ARG A 390
TRP A 407
GLU A 409
PHE A 454
THR A 478
TRP A 509		 None
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
HFG A1003 (-2.9A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
None
 0.34A 5xipD-5xipA:
54.4		 5xipD-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_A_HFGA1002_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588
GLY A 590		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.6A)
86X A1004 ( 4.2A)
 0.20A 5xiqA-5xiiA:
57.6		 5xiqA-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_A_HFGA1002_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.51A 5xiqA-5xipA:
52.9		 5xiqA-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_B_HFGB1002_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
ANP A1001 ( 2.9A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.6A)
 0.23A 5xiqB-5xiiA:
55.5		 5xiqB-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_B_HFGB1002_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
 0.57A 5xiqB-5xipA:
52.4		 5xiqB-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_C_HFGC1002_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		PHE A 415
GLU A 418
VAL A 419
PRO A 438
THR A 439
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
SER A 588		 86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
86X A1004 (-3.6A)
ANP A1001 ( 2.9A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 (-3.6A)
 0.22A 5xiqC-5xiiA:
55.6		 5xiqC-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_C_HFGC1002_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		PHE A 335
GLU A 338
VAL A 339
PRO A 358
THR A 359
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
SER A 508		 HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-3.9A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
 0.56A 5xiqC-5xipA:
52.4		 5xiqC-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_D_HFGD1002_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
ARG A 470
TRP A 487
GLU A 489
HIS A 491
PHE A 534
THR A 558
GLY A 590		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
ANP A1001 ( 2.9A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.9A)
86X A1004 ( 4.2A)
 0.27A 5xiqD-5xiiA:
56.3		 5xiqD-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_D_HFGD1002_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
PHE A 307
GLU A 310
VAL A 311
PRO A 330
ARG A 362
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
GLY A 482		 None
HFG A 801 (-3.7A)
None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
ANP A 803 ( 3.1A)
None
HFG A 801 ( 4.9A)
HFG A 801 ( 4.7A)
HFG A 801 (-3.7A)
ANP A 803 (-3.9A)
HFG A 801 (-3.9A)
 0.59A 5xiqD-5xioA:
51.5		 5xiqD-5xioA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_D_HFGD1002_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
HIS A 411
PHE A 454
THR A 478
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
ANP A1001 (-2.8A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
 0.47A 5xiqD-5xipA:
53.0		 5xiqD-5xipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXD_A_SAMA501_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
TYR A 124
GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-4.1A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.34A 5xxdA-5xxgA:
64.6		 5xxdA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXG_A_SAMA502_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-3.2A)
SAM A 502 (-4.1A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.05A 5xxgA-5xxgA:
67.2		 5xxgA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXJ_A_SAMA505_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-3.2A)
SAM A 502 (-4.1A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.15A 5xxjA-5xxgA:
65.1		 5xxjA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_A_8LXA501_0 3b0q PEROXISOME
PROLIFERATOR-ACTIV
ATED RECEPTOR
GAMMA

Homo sapiens 		LEU A 255
PHE A 282
GLY A 284
CYH A 285
GLN A 286
TYR A 327
LEU A 330
ILE A 341
MET A 348
MET A 364
HIS A 449
LEU A 453		 None
MC5 A 1 (-4.4A)
MC5 A 1 ( 4.5A)
MC5 A 1 (-3.6A)
None
None
MC5 A 1 (-4.4A)
MC5 A 1 (-4.5A)
MC5 A 1 ( 4.0A)
MC5 A 1 (-3.7A)
MC5 A 1 (-3.9A)
MC5 A 1 (-4.2A)
 0.60A 5y2tA-3b0qA:
40.2		 5y2tA-3b0qA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJO_A_SAMA505_0 5xxg -

- 		ARG A 14
GLY A 15
ASN A 16
TYR A 124
GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259		 SAM A 502 (-4.8A)
SAM A 502 ( 3.9A)
SAM A 502 (-4.4A)
SAM A 502 (-4.4A)
SAM A 502 (-4.9A)
SAM A 502 (-4.1A)
SAM A 502 ( 4.1A)
SAM A 502 (-3.1A)
None
8HR A 501 ( 4.0A)
None
SAM A 502 (-3.5A)
 0.14A 5yjoA-5xxgA:
65.4		 5yjoA-5xxgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0 2d3l GLUCAN
1,4-ALPHA-MALTOHEX
AOSIDASE

Bacillus sp. 707 		TRP A 15
TYR A 58
HIS A 107
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333		 None
GLC A 605 (-4.8A)
None
None
None
None
GLC A 605 ( 3.5A)
None
None
None
None
GLC A 605 (-3.5A)
 0.37A 6ag0A-2d3lA:
59.6		 6ag0A-2d3lA:
9.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AP6_A_TLFA300_0 6ap6 PROBABLE
STRIGOLACTONE
ESTERASE DAD2

Petunia x hybrida 		PHE A 27
VAL A 97
PHE A 125
PHE A 135
ILE A 140
VAL A 143
TRP A 154
PHE A 158
SER A 190
VAL A 193
PHE A 194
HIS A 246		 TLF A 300 (-3.8A)
TLF A 300 ( 4.4A)
TLF A 300 (-4.7A)
TLF A 300 ( 4.5A)
None
None
None
TLF A 300 (-4.6A)
TLF A 300 (-3.4A)
TLF A 300 (-4.1A)
TLF A 300 (-4.8A)
TLF A 300 (-3.9A)
 0.00A 6ap6A-6ap6A:
51.5		 6ap6A-6ap6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AP6_B_TLFB300_0 6ap6 PROBABLE
STRIGOLACTONE
ESTERASE DAD2

Petunia x hybrida 		PHE A 27
VAL A 97
PHE A 125
PHE A 135
ILE A 140
VAL A 143
TRP A 154
PHE A 158
SER A 190
VAL A 193
PHE A 194
HIS A 246		 TLF A 300 (-3.8A)
TLF A 300 ( 4.4A)
TLF A 300 (-4.7A)
TLF A 300 ( 4.5A)
None
None
None
TLF A 300 (-4.6A)
TLF A 300 (-3.4A)
TLF A 300 (-4.1A)
TLF A 300 (-4.8A)
TLF A 300 (-3.9A)
 0.06A 6ap6B-6ap6A:
50.0		 6ap6B-6ap6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
GLY A 355
HIS A 356
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.41A 6aphA-6gbnA:
66.7		 6aphA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B1E_B_LF7B801_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.69A 6b1eB-6eotA:
29.3		 6b1eB-6eotA:
7.26
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.
6B5Y_B_9F2B400_1 5gl9 BETA-LACTAMASE

Burkholderia
thailandensis 		CYH A 69
SER A 70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240		 None
 0.41A 6b5yB-5gl9A:
41.1		 6b5yB-5gl9A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1 5gl9 BETA-LACTAMASE

Burkholderia
thailandensis 		CYH A 69
SER A 70
SER A 130
ASN A 170
THR A 216
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240		 None
 0.35A 6b6aB-5gl9A:
41.2		 6b6aB-5gl9A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BC9_A_ETSA302_1 3ml5 CARBONIC ANHYDRASE
7

Homo sapiens 		TRP A 5
ASN A 62
GLN A 92
HIS A 94
HIS A 96
VAL A 121
PHE A 131
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 None
None
AZM A 264 (-4.1A)
ZN A 263 ( 3.2A)
ZN A 263 ( 3.2A)
AZM A 264 (-4.7A)
AZM A 264 (-4.4A)
AZM A 264 (-3.4A)
AZM A 264 (-3.4A)
AZM A 264 (-3.5A)
None
None
 0.48A 6bc9A-3ml5A:
43.0		 6bc9A-3ml5A:
18.53
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.
6BXM_A_SAMA402_0 6bxn DIPHTHAMIDE
BIOSYNTHESIS
ENZYME DPH2

Candidatus
Methanoperedens
nitroreducens 		PHE A 58
LEU A 157
GLY A 158
SER A 232
LYS A 234
GLN A 237
LEU A 264
VAL A 265
CYH A 283
ARG A 285
ILE A 286
ASP A 289		 SAM A 901 ( 3.5A)
SAM A 901 (-3.8A)
SF4 A 900 ( 3.6A)
SAM A 901 ( 3.9A)
SAM A 901 (-4.9A)
SAM A 901 (-3.0A)
SAM A 901 (-4.5A)
SAM A 901 (-4.0A)
SF4 A 900 ( 2.2A)
SAM A 901 (-4.1A)
SAM A 901 (-4.7A)
SAM A 901 (-3.9A)
 0.22A 6bxmA-6bxnA:
41.7		 6bxmA-6bxnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_A_SAMA901_0 6bxn DIPHTHAMIDE
BIOSYNTHESIS
ENZYME DPH2

Candidatus
Methanoperedens
nitroreducens 		PHE A 58
LEU A 157
HIS A 180
SER A 232
LYS A 234
GLN A 237
VAL A 265
CYH A 283
ARG A 285
ILE A 286
ASP A 289
ASP A 290		 SAM A 901 ( 3.5A)
SAM A 901 (-3.8A)
SAM A 901 (-4.2A)
SAM A 901 ( 3.9A)
SAM A 901 (-4.9A)
SAM A 901 (-3.0A)
SAM A 901 (-4.0A)
SF4 A 900 ( 2.2A)
SAM A 901 (-4.1A)
SAM A 901 (-4.7A)
SAM A 901 (-3.9A)
SAM A 901 (-3.2A)
 0.00A 6bxnA-6bxnA:
47.0		 6bxnA-6bxnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_B_SAMB901_0 6bxn DIPHTHAMIDE
BIOSYNTHESIS
ENZYME DPH2

Candidatus
Methanoperedens
nitroreducens 		PHE A 58
LEU A 157
GLY A 158
HIS A 180
SER A 232
LYS A 234
GLN A 237
VAL A 265
CYH A 283
ARG A 285
ILE A 286
ASP A 290		 SAM A 901 ( 3.5A)
SAM A 901 (-3.8A)
SF4 A 900 ( 3.6A)
SAM A 901 (-4.2A)
SAM A 901 ( 3.9A)
SAM A 901 (-4.9A)
SAM A 901 (-3.0A)
SAM A 901 (-4.0A)
SF4 A 900 ( 2.2A)
SAM A 901 (-4.1A)
SAM A 901 (-4.7A)
SAM A 901 (-3.2A)
 0.18A 6bxnB-6bxnA:
43.0		 6bxnB-6bxnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_B_SAMB301_0 6emv TRNA
(GUANINE(9)-/ADENI
NE(9)-N1)-METHYLTR
ANSFERASE

Thermococcus
kodakarensis 		LEU A 181
PRO A 183
TRP A 184
ILE A 201
GLY A 202
ILE A 204
THR A 214
ILE A 234
VAL A 240
VAL A 243
ASP A 245
ILE A 250		 SAH A 301 (-4.0A)
SAH A 301 (-3.9A)
SAH A 301 (-4.6A)
SAH A 301 ( 4.6A)
SAH A 301 (-3.0A)
SAH A 301 (-4.1A)
SAH A 301 (-3.8A)
SAH A 301 (-3.9A)
SAH A 301 ( 4.7A)
SAH A 301 ( 4.9A)
SAH A 301 (-4.5A)
SAH A 301 (-4.1A)
 0.33A 6emuB-6emvA:
33.0		 6emuB-6emvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_C_SAMC301_0 6emv TRNA
(GUANINE(9)-/ADENI
NE(9)-N1)-METHYLTR
ANSFERASE

Thermococcus
kodakarensis 		LEU A 181
PRO A 183
ILE A 201
GLY A 202
ILE A 204
THR A 214
THR A 215
ILE A 234
VAL A 240
VAL A 243
ASP A 245
ILE A 250		 SAH A 301 (-4.0A)
SAH A 301 (-3.9A)
SAH A 301 ( 4.6A)
SAH A 301 (-3.0A)
SAH A 301 (-4.1A)
SAH A 301 (-3.8A)
SAH A 301 (-3.7A)
SAH A 301 (-3.9A)
SAH A 301 ( 4.7A)
SAH A 301 ( 4.9A)
SAH A 301 (-4.5A)
SAH A 301 (-4.1A)
 0.34A 6emuC-6emvA:
32.9		 6emuC-6emvA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_A_ADNA502_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
HIS A 304
LEU A 347
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
NAD A 502 (-3.9A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.37A 6f3mA-6gbnA:
57.4		 6f3mA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_B_ADNB502_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.22A 6f3mB-6gbnA:
57.5		 6f3mB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_C_ADNC502_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
HIS A 304
LEU A 347
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
NAD A 502 (-3.9A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.37A 6f3mC-6gbnA:
57.5		 6f3mC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_D_ADND502_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
HIS A 304
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.22A 6f3mD-6gbnA:
57.5		 6f3mD-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_A_ADNA505_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.32A 6f3nA-6f3mB:
66.0		 6f3nA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_A_ADNA505_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.41A 6f3nA-6gbnA:
57.6		 6f3nA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
THR B 165
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
NAD B 501 ( 2.8A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.11A 6f3nB-6f3mB:
65.4		 6f3nB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
NAD A 502 ( 2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.20A 6f3nB-6gbnA:
57.7		 6f3nB-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_C_ADNC505_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.23A 6f3nC-6f3mB:
65.5		 6f3nC-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_C_ADNC505_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.33A 6f3nC-6gbnA:
57.6		 6f3nC-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ADND506_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
ZN B 505 ( 2.5A)
ADN B 502 (-3.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 ( 3.9A)
ADN B 502 ( 4.8A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.33A 6f3nD-6f3mB:
65.5		 6f3nD-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 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_D_ADND506_1 6gbn -

- 		HIS A 56
THR A 58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365		 ADN A 501 (-3.9A)
ADN A 501 (-2.8A)
ADN A 501 (-2.9A)
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.41A 6f3nD-6gbnA:
57.5		 6f3nD-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FHW_A_ACRA801_1 2f6d GLUCOAMYLASE GLU1

Saccharomycopsis
fibuligera 		ALA A 54
TYR A 63
TRP A 67
ARG A 69
ASP A 70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
TRP A 473		 ACR A 995 (-3.4A)
ACR A 995 (-4.3A)
ACR A 995 (-3.4A)
ACR A 995 (-3.7A)
ACR A 995 (-3.0A)
ACR A 995 (-3.5A)
ACR A 995 (-3.3A)
ACR A 995 (-3.5A)
ACR A 995 (-3.0A)
ACR A 995 ( 3.7A)
None
None
 0.36A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
10.57
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.
6FHW_A_ACRA801_1 2vn7 GLUCOAMYLASE

Trichoderma
reesei 		ALA A 38
TYR A 47
TRP A 51
ARG A 53
ASP A 54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
TRP A 421		 BTB A 620 ( 3.8A)
BTB A 620 (-3.9A)
BTB A 620 (-3.8A)
BTB A 620 (-3.7A)
BTB A 620 (-2.8A)
None
None
None
BTB A 620 (-3.6A)
BTB A 620 ( 4.9A)
None
None
 0.46A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
6FHW_A_ACRA801_1 3eqa GLUCOAMYLASE

Aspergillus niger 		ALA A 63
TYR A 72
TRP A 76
ARG A 78
ASP A 79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
TRP A 441		 TRS A 701 ( 3.8A)
TRS A 701 (-4.5A)
TRS A 701 (-3.8A)
TRS A 701 (-3.8A)
TRS A 701 (-2.8A)
None
None
GOL A 801 (-3.6A)
GOL A 801 (-3.3A)
GOL A 801 ( 4.1A)
None
None
 0.42A 6fhwA-3eqaA:
61.7		 6fhwA-3eqaA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FHW_B_ACRB801_1 2f6d GLUCOAMYLASE GLU1

Saccharomycopsis
fibuligera 		ALA A 54
TYR A 63
TRP A 67
ARG A 69
ASP A 70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
TRP A 473		 ACR A 995 (-3.4A)
ACR A 995 (-4.3A)
ACR A 995 (-3.4A)
ACR A 995 (-3.7A)
ACR A 995 (-3.0A)
ACR A 995 (-3.5A)
ACR A 995 (-3.3A)
ACR A 995 (-3.5A)
ACR A 995 (-3.0A)
ACR A 995 ( 3.7A)
None
None
 0.36A 6fhwB-2f6dA:
45.5		 6fhwB-2f6dA:
10.57
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.
6FHW_B_ACRB801_1 2vn7 GLUCOAMYLASE

Trichoderma
reesei 		ALA A 38
TYR A 47
TRP A 51
ARG A 53
ASP A 54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
TRP A 421		 BTB A 620 ( 3.8A)
BTB A 620 (-3.9A)
BTB A 620 (-3.8A)
BTB A 620 (-3.7A)
BTB A 620 (-2.8A)
None
None
None
BTB A 620 (-3.6A)
BTB A 620 ( 4.9A)
None
None
 0.46A 6fhwB-2vn7A:
58.1		 6fhwB-2vn7A:
9.38
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.
6FHW_B_ACRB801_1 3eqa GLUCOAMYLASE

Aspergillus niger 		ALA A 63
TYR A 72
TRP A 76
ARG A 78
ASP A 79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
TRP A 441		 TRS A 701 ( 3.8A)
TRS A 701 (-4.5A)
TRS A 701 (-3.8A)
TRS A 701 (-3.8A)
TRS A 701 (-2.8A)
None
None
GOL A 801 (-3.6A)
GOL A 801 (-3.3A)
GOL A 801 ( 4.1A)
None
None
 0.42A 6fhwB-3eqaA:
62.0		 6fhwB-3eqaA:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7J_A_5FWA401_0 4lde LYSOZYME, BETA-2
ADRENERGIC
RECEPTOR

Homo sapiens;
Escherichia virus
T4 		TRP A1109
THR A1110
ASP A1113
VAL A1114
SER A1203
SER A1204
SER A1207
PHE A1289
PHE A1290
ASN A1293
ASN A1312
TYR A1316		 None
P0G A1401 ( 3.9A)
P0G A1401 (-2.9A)
P0G A1401 (-3.7A)
P0G A1401 (-2.9A)
P0G A1401 ( 3.7A)
P0G A1401 (-2.8A)
P0G A1401 ( 4.7A)
P0G A1401 ( 4.9A)
P0G A1401 (-3.0A)
P0G A1401 (-2.9A)
None
 0.40A 6h7jA-4ldeA:
40.7		 6h7jA-4ldeA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7J_B_5FWB402_0 4lde LYSOZYME, BETA-2
ADRENERGIC
RECEPTOR

Homo sapiens;
Escherichia virus
T4 		TRP A1109
THR A1110
ASP A1113
VAL A1114
SER A1203
SER A1204
SER A1207
PHE A1289
PHE A1290
ASN A1293
ASN A1312
TYR A1316		 None
P0G A1401 ( 3.9A)
P0G A1401 (-2.9A)
P0G A1401 (-3.7A)
P0G A1401 (-2.9A)
P0G A1401 ( 3.7A)
P0G A1401 (-2.8A)
P0G A1401 ( 4.7A)
P0G A1401 ( 4.9A)
P0G A1401 (-3.0A)
P0G A1401 (-2.9A)
None
 0.39A 6h7jB-4ldeA:
41.4		 6h7jB-4ldeA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_A_68HA504_0 4lde LYSOZYME, BETA-2
ADRENERGIC
RECEPTOR

Homo sapiens;
Escherichia virus
T4 		TRP A1109
THR A1110
ASP A1113
VAL A1114
PHE A1193
SER A1203
SER A1207
PHE A1289
PHE A1290
ASN A1293
ASN A1312
TYR A1316		 None
P0G A1401 ( 3.9A)
P0G A1401 (-2.9A)
P0G A1401 (-3.7A)
P0G A1401 (-3.8A)
P0G A1401 (-2.9A)
P0G A1401 (-2.8A)
P0G A1401 ( 4.7A)
P0G A1401 ( 4.9A)
P0G A1401 (-3.0A)
P0G A1401 (-2.9A)
None
 0.45A 6h7mA-4ldeA:
40.9		 6h7mA-4ldeA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_B_68HB405_0 4lde LYSOZYME, BETA-2
ADRENERGIC
RECEPTOR

Homo sapiens;
Escherichia virus
T4 		TRP A1109
ASP A1113
VAL A1114
VAL A1117
PHE A1193
SER A1203
SER A1207
PHE A1289
PHE A1290
ASN A1293
ASN A1312
TYR A1316		 None
P0G A1401 (-2.9A)
P0G A1401 (-3.7A)
P0G A1401 ( 4.4A)
P0G A1401 (-3.8A)
P0G A1401 (-2.9A)
P0G A1401 (-2.8A)
P0G A1401 ( 4.7A)
P0G A1401 ( 4.9A)
P0G A1401 (-3.0A)
P0G A1401 (-2.9A)
None
 0.44A 6h7mB-4ldeA:
41.2		 6h7mB-4ldeA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCX_A_ZMRA519_0 3ti8 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 292
ARG A 371
TYR A 406		 LNV A 901 (-3.0A)
LNV A 901 (-3.6A)
LNV A 901 (-3.4A)
LNV A 901 (-4.0A)
LNV A 901 (-4.0A)
LNV A 901 (-4.1A)
LNV A 901 (-3.4A)
LNV A 901 (-3.5A)
LNV A 901 (-2.9A)
LNV A 901 (-2.8A)
LNV A 901 (-2.9A)
LNV A 901 (-4.8A)
 0.26A 6hcxA-3ti8A:
65.0		 6hcxA-3ti8A:
29.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCX_A_ZMRA519_0 3tia NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 224
GLU A 227
ALA A 246
GLU A 276
ARG A 292
ARG A 371
TYR A 406		 LNV A 801 (-2.8A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-3.9A)
LNV A 801 (-4.0A)
LNV A 801 (-4.2A)
LNV A 801 (-3.5A)
LNV A 801 (-3.4A)
LNV A 801 (-2.9A)
LNV A 801 (-3.0A)
LNV A 801 (-2.9A)
LNV A 801 (-4.4A)
 0.19A 6hcxA-3tiaA:
19.0		 6hcxA-3tiaA:
10.26
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.
6HCX_A_ZMRA519_0 4cpn NEURAMINIDASE

Influenza B virus 		ARG A 115
GLU A 116
ASP A 148
ARG A 149
ARG A 153
ARG A 222
GLU A 225
ALA A 244
GLU A 274
ARG A 291
ARG A 373
TYR A 408		 ZMR A 700 (-2.9A)
ZMR A 700 (-3.5A)
ZMR A 700 (-3.3A)
ZMR A 700 (-4.0A)
ZMR A 700 (-4.2A)
ZMR A 700 (-3.8A)
ZMR A 700 (-3.5A)
ZMR A 700 (-3.6A)
ZMR A 700 (-2.7A)
ZMR A 700 (-2.8A)
ZMR A 700 (-3.0A)
ZMR A 700 (-4.6A)
 0.52A 6hcxA-4cpnA:
54.2		 6hcxA-4cpnA:
20.34
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.
6MN8_A_HFGA603_0 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		LEU A 405
PHE A 415
GLU A 418
VAL A 419
PRO A 438
TRP A 487
GLU A 489
HIS A 491
THR A 558
SER A 588
TRP A 589
GLY A 590		 None
86X A1004 (-3.6A)
MG A1003 (-4.1A)
86X A1004 (-4.2A)
86X A1004 (-4.3A)
None
None
86X A1004 ( 4.8A)
86X A1004 (-3.9A)
86X A1004 (-3.6A)
None
86X A1004 ( 4.2A)
 0.44A 6mn8A-5xiiA:
45.0		 6mn8A-5xiiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN8_A_HFGA603_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		LEU A 325
PHE A 335
GLU A 338
VAL A 339
PRO A 358
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
TRP A 509
GLY A 510		 None
HFG A1003 (-3.8A)
MG A1002 ( 4.3A)
HFG A1003 ( 4.6A)
HFG A1003 (-4.3A)
HFG A1003 (-4.7A)
HFG A1003 ( 4.8A)
HFG A1003 ( 4.7A)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
None
HFG A1003 ( 3.9A)
 0.62A 6mn8A-5xipA:
44.7		 6mn8A-5xipA:
undetectable