Potential binding sites containing eleven 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_B_ZMRB466_1 1nmb N9 NEURAMINIDASE

Influenza A virus 		ARG N 118
GLU N 119
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 276
GLU N 277
ARG N 292
ASN N 294
TYR N 406		 None
 0.70A 1a4gB-1nmbN:
53.8		 1a4gB-1nmbN:
28.07
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.
1A4G_B_ZMRB466_1 1nmb N9 NEURAMINIDASE

Influenza A virus 		ARG N 118
GLU N 119
ARG N 156
ARG N 224
GLU N 227
ALA N 246
GLU N 277
ARG N 292
ASN N 294
ARG N 371
TYR N 406		 None
 0.61A 1a4gB-1nmbN:
53.8		 1a4gB-1nmbN:
28.07
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.
1CIL_A_ETSA263_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		HIS A 112
GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.25A 1cilA-3b1bA:
24.9		 1cilA-3b1bA:
25.45
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.
1CIL_A_ETSA263_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		HIS A 92
GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212		 None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 (-3.2A)
None
None
None
ZN A 301 (-4.4A)
None
None
 0.36A 1cilA-6ekiA:
29.9		 1cilA-6ekiA:
16.60
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.
1CIL_A_ETSA263_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		HIS A 64
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		 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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.39A 1cilA-6fe1A:
33.8		 1cilA-6fe1A:
14.90
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.
1D4F_A_ADNA601_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
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 (-3.6A)
None
 0.34A 1d4fA-6gbnA:
61.6		 1d4fA-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.
1D4F_B_ADNB602_1 6gbn -

- 		LEU A 55
HIS A 56
ASP A 134
LYS A 189
ASP A 193
HIS A 304
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365		 None
ADN A 501 (-3.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
ADN A 501 ( 3.6A)
NAD A 502 (-3.9A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.6A)
None
 0.37A 1d4fB-6gbnA:
61.7		 1d4fB-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.
1D4F_C_ADNC603_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
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 (-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
 0.33A 1d4fC-6gbnA:
61.5		 1d4fC-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.
1D4F_D_ADND604_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
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 (-3.6A)
None
 0.41A 1d4fD-6gbnA:
61.6		 1d4fD-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.
1DB1_A_VDXA428_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		 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)
 0.31A 1db1A-6fobA:
37.2		 1db1A-6fobA:
23.26
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.
1DY4_A_SNPA437_1 5w11 GLUCANASE

Thermothelomyces
thermophila 		ALA A 144
TYR A 146
TYR A 172
ASP A 174
SER A 175
GLN A 176
GLU A 213
ASP A 215
GLU A 218
ARG A 252
ASP A 374		 None
None
None
CTR A 506 ( 4.6A)
None
CTR A 506 (-4.1A)
CTR A 506 ( 4.5A)
None
CTR A 506 ( 4.3A)
CTR A 506 (-3.0A)
CTR A 506 ( 3.0A)
 0.29A 1dy4A-5w11A:
65.6		 1dy4A-5w11A:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA651_1 4s3p 4-ALPHA-GLUCANOTRA
NSFERASE

Escherichia coli 		SER A 199
TYR A 201
GLN A 411
TRP A 413
HIS A 449
GLU A 496
HIS A 547
ASP A 548
ASN A 648
PRO A 650
TRP A 659		 None
 0.41A 1eswA-4s3pA:
34.6		 1eswA-4s3pA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA651_1 5jjh 4-ALPHA-GLUCANOTRA
NSFERASE

Corynebacterium
glutamicum 		SER A 233
TYR A 235
GLN A 423
TRP A 425
HIS A 461
GLU A 508
HIS A 560
ASP A 561
ASN A 661
PRO A 663
TRP A 673		 None
None
None
None
None
None
None
None
SO4 A 803 (-3.0A)
SO4 A 803 (-3.8A)
None
 0.70A 1eswA-5jjhA:
34.0		 1eswA-5jjhA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GAH_A_ACRA497_1 6fhv GLUCOAMYLASE

Penicillium
oxalicum 		TYR A 75
TRP A 79
ARG A 81
ASP A 82
TRP A 154
GLY A 155
GLU A 213
GLU A 214
TYR A 347
TRP A 353
GLU A 436		 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 (-3.7A)
B3P A 652 (-3.4A)
B3P A 652 ( 3.8A)
None
B3P A 652 ( 4.6A)
 0.31A 1gahA-6fhvA:
62.7		 1gahA-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.
1GAH_A_ACRA497_1 6fhw GLUCOAMYLASE P

Amorphotheca
resinae 		TYR A 76
TRP A 80
ARG A 82
ASP A 83
TRP A 149
GLY A 150
GLU A 208
GLU A 209
TYR A 341
TRP A 347
GLU A 432		 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 (-3.9A)
ACR A 801 ( 3.9A)
None
ACR A 801 (-4.4A)
 0.29A 1gahA-6fhwA:
60.5		 1gahA-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.
1HTT_C_HISC450_0 3rac HISTIDINE-TRNA
LIGASE

Alicyclobacillus
acidocaldarius 		GLU A 95
THR A 97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
ALA A 350		 LMR A 401 (-3.4A)
LMR A 401 (-3.5A)
LMR A 401 (-3.7A)
LMR A 401 (-3.7A)
None
None
None
LMR A 401 (-4.5A)
LMR A 401 (-3.5A)
LMR A 401 (-3.4A)
LMR A 401 ( 3.9A)
 0.52A 1httC-3racA:
26.3		 1httC-3racA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_C_HISC450_0 3rac HISTIDINE-TRNA
LIGASE

Alicyclobacillus
acidocaldarius 		GLU A 95
THR A 97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
TYR A 333
GLY A 348
ALA A 350		 LMR A 401 (-3.4A)
LMR A 401 (-3.5A)
LMR A 401 (-3.7A)
LMR A 401 (-3.7A)
None
None
None
LMR A 401 (-4.5A)
LMR A 401 (-4.1A)
LMR A 401 (-3.4A)
LMR A 401 ( 3.9A)
 0.71A 1httC-3racA:
26.3		 1httC-3racA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_D_HISD450_0 3rac HISTIDINE-TRNA
LIGASE

Alicyclobacillus
acidocaldarius 		GLU A 95
THR A 97
GLN A 145
GLU A 149
ARG A 306
LEU A 308
TYR A 310
TYR A 311
GLY A 330
GLY A 348
ALA A 350		 LMR A 401 (-3.4A)
LMR A 401 (-3.5A)
LMR A 401 (-3.7A)
LMR A 401 (-3.7A)
None
None
None
LMR A 401 (-4.5A)
LMR A 401 (-3.5A)
LMR A 401 (-3.4A)
LMR A 401 ( 3.9A)
 0.56A 1httD-3racA:
25.9		 1httD-3racA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_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 341
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 (-3.4A)
DZW A 501 ( 4.3A)
DZW A 501 (-3.9A)
None
DZW A 501 (-4.0A)
 0.36A 1ie9A-6fobA:
37.3		 1ie9A-6fobA:
23.26
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.
1JB0_B_PQNB2002_1 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Synechocystis sp.
PCC 6803 		TRP b 22
MET b 659
PHE b 660
SER b 663
TRP b 664
ARG b 665
TRP b 668
ILE b 672
ALA b 696
LEU b 697
ALA b 702		 CLA b1841 ( 4.0A)
CLA b1807 ( 3.2A)
PQN b1844 ( 4.2A)
PQN b1844 (-3.7A)
None
None
PQN b1844 ( 3.4A)
CLA b1841 (-4.6A)
PQN b1844 (-3.2A)
PQN b1844 ( 3.8A)
PQN b1844 (-3.1A)
 0.36A 1jb0B-5oy0b:
44.4		 1jb0B-5oy0b:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JD0_B_AZMB2401_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227		 None
ZN A 283 ( 3.2A)
ZN A 283 (-3.2A)
ZN A 283 ( 4.5A)
ZN A 283 ( 3.1A)
ACY A 279 ( 4.7A)
None
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.37A 1jd0B-1y7wA:
24.5		 1jd0B-1y7wA:
29.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JD0_B_AZMB2401_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.42A 1jd0B-3b1bA:
24.8		 1jd0B-3b1bA:
26.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JD0_B_AZMB2401_1 3q31 CARBONIC ANHYDRASE

Aspergillus
oryzae 		GLN A 121
HIS A 123
HIS A 125
GLU A 129
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
THR A 216
TRP A 225		 MLT A 3 (-3.9A)
ZN A 1 ( 3.2A)
ZN A 1 (-3.3A)
ZN A 1 ( 4.7A)
ZN A 1 ( 3.2A)
None
MLT A 3 (-4.6A)
MLT A 3 ( 4.2A)
MLT A 3 ( 4.3A)
MLT A 3 (-2.8A)
MLT A 3 (-4.9A)
 0.48A 1jd0B-3q31A:
24.6		 1jd0B-3q31A:
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.
1JD0_B_AZMB2401_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
GLU A 95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184		 AZM A 302 (-4.4A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
AZM A 302 ( 4.6A)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.39A 1jd0B-4g7aA:
29.9		 1jd0B-4g7aA:
27.97
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.
1JD0_B_AZMB2401_1 4xix CARBONIC
ANHYDRASE, ALPHA
TYPE

Chlamydomonas
reinhardtii 		GLN A 158
HIS A 160
HIS A 162
GLU A 166
HIS A 179
VAL A 181
VAL A 192
LEU A 253
THR A 254
THR A 255
TRP A 264		 None
ZN A 401 ( 3.2A)
ZN A 401 ( 3.2A)
2HP A 402 ( 4.7A)
ZN A 401 ( 3.1A)
None
None
2HP A 402 (-3.4A)
2HP A 402 (-2.9A)
2HP A 402 (-3.6A)
None
 0.44A 1jd0B-4xixA:
25.5		 1jd0B-4xixA:
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.
1JD0_B_AZMB2401_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.42A 1jd0B-6ekiA:
29.2		 1jd0B-6ekiA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JD0_B_AZMB2401_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.36A 1jd0B-6fe1A:
37.5		 1jd0B-6fe1A:
15.09
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.
1L7H_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
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 (-4.6A)
 0.49A 1l7hA-4cpnA:
54.1		 1l7hA-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.
1L7H_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
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 (-4.5A)
 0.53A 1l7hA-6br6A:
64.6		 1l7hA-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.
1MAA_A_DMEA998_1 6arx ACETYLCHOLINESTERA
SE

Anopheles gambiae 		ASP A 233
TRP A 245
GLY A 279
TYR A 282
GLU A 359
SER A 360
TRP A 441
PHE A 449
TYR A 489
TYR A 493
HIS A 600		 None
 0.64A 1maaA-6arxA:
55.1		 1maaA-6arxA:
9.77
Potential target for repurposing, i.e. matched protein structure has less than 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 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.37A 1v8bA-6f3mB:
50.4		 1v8bA-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.
1V8B_B_ADNB1502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.36A 1v8bB-6f3mB:
50.4		 1v8bB-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.
1V8B_C_ADNC2502_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
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 (-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
 0.24A 1v8bC-6gbnA:
27.0		 1v8bC-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 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.39A 1v8bD-6f3mB:
50.4		 1v8bD-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.
1XIH_A_SORA389_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		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 338		 None
None
None
None
None
None
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 491 ( 3.1A)
 0.42A 1xihA-1a0cA:
39.8		 1xihA-1a0cA:
28.82
Potential target for repurposing, i.e. matched protein structure has less than 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 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
PHE A 142
VAL A 183
TRP A 185
LYS A 231
GLU A 265
HIS A 268
ASP A 293
ASP A 336		 None
None
None
None
None
None
MN A 492 ( 4.8A)
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 491 ( 3.1A)
 0.45A 1xihA-1a0dA:
39.7		 1xihA-1a0dA:
27.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XIH_A_SORA389_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
PHE A 147
VAL A 188
TRP A 190
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 341		 None
None
None
None
None
None
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 501 (-3.1A)
 0.43A 1xihA-4xkmA:
40.0		 1xihA-4xkmA:
28.69
Potential target for repurposing, i.e. matched protein structure has less than 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 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
PHE A 146
VAL A 187
TRP A 189
LYS A 235
GLU A 269
HIS A 272
ASP A 297
ASP A 340		 None
None
None
None
None
None
FE2 A 502 ( 4.1A)
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 501 ( 3.2A)
 0.47A 1xihA-5nhbA:
40.6		 1xihA-5nhbA:
29.14
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.
1XLX_B_CIOB102_1 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
HIS A 450
MET A 519
THR A 579
ILE A 582
MET A 583
PHE A 586
MET A 603
GLN A 615
PHE A 618		 None
None
None
9VE A 801 (-3.8A)
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 ( 4.0A)
9VE A 801 (-3.6A)
9VE A 801 (-3.6A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.62A 1xlxB-5ohjA:
52.6		 1xlxB-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.
1XMU_A_ROFA101_0 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
ASP A 564
LEU A 565
PRO A 568
TYR A 575
TRP A 578
ILE A 582
PHE A 586
SER A 614
PHE A 618		 None
None
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
9VE A 801 (-4.6A)
None
9VE A 801 (-4.1A)
9VE A 801 (-3.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
 0.26A 1xmuA-5ohjA:
53.3		 1xmuA-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.
1XMU_A_ROFA101_0 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
ILE A 336
MET A 357
SER A 368
PHE A 372		 AKJ A 601 ( 4.7A)
None
ZN A 602 (-2.5A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-3.9A)
AKJ A 601 (-4.8A)
None
AKJ A 601 (-3.8A)
AKJ A 601 (-3.4A)
AKJ A 601 (-2.5A)
AKJ A 601 (-4.1A)
 0.67A 1xmuA-5wh6A:
52.5		 1xmuA-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.
1XMU_B_ROFB102_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
TYR A 575
TRP A 578
ILE A 582
PHE A 586
SER A 614		 None
None
9VE A 801 (-3.8A)
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
9VE A 801 (-4.6A)
None
9VE A 801 (-4.1A)
9VE A 801 (-3.6A)
9VE A 801 (-4.7A)
 0.30A 1xmuB-5ohjA:
52.8		 1xmuB-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.
1XMU_B_ROFB102_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
TYR A 329
TRP A 332
ILE A 336
MET A 357
SER A 368		 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)
AKJ A 601 (-4.8A)
None
AKJ A 601 (-3.8A)
AKJ A 601 (-3.4A)
AKJ A 601 (-2.5A)
 0.65A 1xmuB-5wh6A:
52.3		 1xmuB-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.
1XOM_A_CIOA603_1 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
ILE A 582
MET A 583
PHE A 586
MET A 603
GLN A 615
PHE A 618		 None
None
9VE A 801 (-3.8A)
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-4.1A)
9VE A 801 ( 4.0A)
9VE A 801 (-3.6A)
9VE A 801 (-3.6A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.59A 1xomA-5ohjA:
52.6		 1xomA-5ohjA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOM_A_CIOA603_1 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
ILE A 582
MET A 583
PHE A 586
SER A 614
GLN A 615
PHE A 618		 None
None
9VE A 801 (-3.8A)
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-4.1A)
9VE A 801 ( 4.0A)
9VE A 801 (-3.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.27A 1xomA-5ohjA:
52.6		 1xomA-5ohjA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOM_A_CIOA603_1 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
ILE A 336
MET A 337
PHE A 340
MET A 357
GLN A 369
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 (-3.8A)
AKJ A 601 ( 3.7A)
AKJ A 601 (-4.5A)
AKJ A 601 (-3.4A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
 0.25A 1xomA-5wh6A:
55.1		 1xomA-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.
1XOM_B_CIOB601_1 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
MET A 519
LEU A 565
THR A 579
ILE A 582
MET A 583
PHE A 586
MET A 603
GLN A 615
PHE A 618		 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 ( 4.0A)
9VE A 801 (-3.6A)
9VE A 801 (-3.6A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.58A 1xomB-5ohjA:
52.1		 1xomB-5ohjA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOM_B_CIOB601_1 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
MET A 519
LEU A 565
THR A 579
ILE A 582
MET A 583
PHE A 586
SER A 614
GLN A 615
PHE A 618		 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 ( 4.0A)
9VE A 801 (-3.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.29A 1xomB-5ohjA:
52.1		 1xomB-5ohjA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOM_B_CIOB601_1 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
LEU A 319
THR A 333
ILE A 336
MET A 337
PHE A 340
MET A 357
GLN A 369
PHE A 372		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
AKJ A 601 ( 4.6A)
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 (-3.0A)
AKJ A 601 (-4.1A)
 0.25A 1xomB-5wh6A:
55.1		 1xomB-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.
1XOQ_A_ROFA502_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
TYR A 575
THR A 579
ILE A 582
SER A 614
PHE A 618		 None
None
9VE A 801 (-3.8A)
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
9VE A 801 (-4.6A)
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
 0.25A 1xoqA-5ohjA:
52.6		 1xoqA-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.
1XOQ_A_ROFA502_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
TYR A 329
THR A 333
ILE A 336
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)
AKJ A 601 (-4.8A)
AKJ A 601 (-4.1A)
AKJ A 601 (-3.8A)
AKJ A 601 (-3.4A)
AKJ A 601 (-4.1A)
 0.46A 1xoqA-5wh6A:
55.1		 1xoqA-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.
1XOQ_B_ROFB501_0 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
ASP A 564
LEU A 565
PRO A 568
TYR A 575
TRP A 578
THR A 579
ILE A 582
SER A 614
PHE A 618		 None
None
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
9VE A 801 (-4.6A)
None
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
 0.15A 1xoqB-5ohjA:
51.9		 1xoqB-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.
1XOQ_B_ROFB501_0 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
ASP A 318
LEU A 319
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
PHE A 372		 AKJ A 601 ( 4.7A)
None
ZN A 602 (-2.5A)
AKJ A 601 ( 4.6A)
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)
AKJ A 601 (-4.1A)
 0.42A 1xoqB-5wh6A:
55.1		 1xoqB-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.
1XOS_A_VIAA1_1 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
MET A 583
PHE A 586
MET A 603
GLN A 615
PHE A 618
ILE A 622		 None
None
9VE A 801 (-3.8A)
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 ( 4.0A)
9VE A 801 (-3.6A)
9VE A 801 (-3.6A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
9VE A 801 (-4.8A)
 0.61A 1xosA-5ohjA:
52.1		 1xosA-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.
1XOS_A_VIAA1_1 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
MET A 337
PHE A 340
MET A 357
GLN A 369
PHE A 372
ILE A 376		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
ZN A 602 (-2.5A)
AKJ A 601 ( 4.6A)
AKJ A 601 ( 3.7A)
AKJ A 601 (-4.5A)
AKJ A 601 (-3.4A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
None
 0.52A 1xosA-5wh6A:
52.3		 1xosA-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 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
LEU A 319
ILE A 336
MET A 337
SER A 355
MET A 357
GLN A 369
PHE A 372
ILE A 376		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-3.8A)
AKJ A 601 ( 3.7A)
None
AKJ A 601 (-3.4A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
None
 0.68A 1xotA-5wh6A:
52.1		 1xotA-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 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
LEU A 319
ILE A 336
MET A 337
SER A 355
SER A 368
GLN A 369
PHE A 372
ILE A 376		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-3.8A)
AKJ A 601 ( 3.7A)
None
AKJ A 601 (-2.5A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
None
 0.74A 1xotA-5wh6A:
52.1		 1xotA-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_B_VDNB102_1 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
MET A 519
LEU A 565
ASN A 567
ILE A 582
MET A 583
SER A 601
MET A 603
GLN A 615
PHE A 618		 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 ( 4.0A)
None
9VE A 801 (-3.6A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.64A 1xotB-5ohjA:
52.6		 1xotB-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.
1XOT_B_VDNB102_1 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
MET A 357
GLN A 369
PHE A 372		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-4.3A)
AKJ A 601 (-3.8A)
AKJ A 601 ( 3.7A)
None
AKJ A 601 (-3.4A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
 0.58A 1xotB-5wh6A:
52.1		 1xotB-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_B_VDNB102_1 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
LEU A 319
ASN A 321
ILE A 336
MET A 337
SER A 355
SER A 368
GLN A 369
PHE A 372		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-4.3A)
AKJ A 601 (-3.8A)
AKJ A 601 ( 3.7A)
None
AKJ A 601 (-2.5A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
 0.62A 1xotB-5wh6A:
52.1		 1xotB-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.
1ZSB_A_AZMA264_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.33A 1zsbA-3b1bA:
25.1		 1zsbA-3b1bA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZSB_A_AZMA264_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.32A 1zsbA-6ekiA:
30.1		 1zsbA-6ekiA:
17.41
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.
1ZSB_A_AZMA264_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.34A 1zsbA-6fe1A:
34.1		 1zsbA-6fe1A:
14.90
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.
2A3C_B_PNXB2433_1 5df0 AC-CHIA

Autographa
californica
multiple
nucleopolyhedrovi
rus 		TRP A 157
PHE A 181
GLY A 264
THR A 266
ASP A 303
GLU A 305
MET A 379
TYR A 381
ASP A 382
TYR A 435
TRP A 528		 None
58Y A 605 (-4.5A)
58Y A 605 ( 4.2A)
SN5 A 604 (-3.1A)
None
58Y A 605 (-3.1A)
58Y A 605 (-3.3A)
58Y A 605 (-4.9A)
58Y A 605 ( 3.0A)
None
58Y A 605 (-3.7A)
 0.65A 2a3cB-5df0A:
43.4		 2a3cB-5df0A:
27.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2433_1 5gpr CHITINASE

Ostrinia
furnacalis 		TRP A 160
PHE A 184
GLY A 267
THR A 269
ASP A 306
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532		 TRP A 160 ( 0.5A)
PHE A 184 ( 1.3A)
GLY A 267 ( 0.0A)
THR A 269 ( 0.8A)
ASP A 306 ( 0.5A)
GLU A 308 ( 0.6A)
MET A 381 ( 0.0A)
TYR A 383 ( 1.3A)
ASP A 384 ( 0.5A)
TYR A 437 ( 1.3A)
TRP A 532 ( 0.5A)
 0.71A 2a3cB-5gprA:
43.1		 2a3cB-5gprA:
27.78
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.
2HTQ_A_ZMRA472_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ARG A 152
ARG A 156
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 (-3.8A)
None
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)
 0.51A 2htqA-6br6A:
63.2		 2htqA-6br6A:
13.60
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.
2HTU_A_BCZA801_0 6br6 NEURAMINIDASE

Influenza A virus 		GLU A 119
LEU A 134
ARG A 152
ARG A 156
TRP A 178
SER A 179
ILE A 222
ARG A 224
GLU A 276
ARG A 292
TYR A 406		 E3M A 511 (-3.6A)
None
E3M A 511 (-3.8A)
None
None
E3M A 511 ( 4.0A)
E3M A 511 ( 4.3A)
E3M A 511 (-3.8A)
E3M A 511 (-2.3A)
E3M A 511 (-2.9A)
E3M A 511 (-4.5A)
 0.49A 2htuA-6br6A:
64.0		 2htuA-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.
2LBD_A_REAA500_1 6fx0 RETINOIC ACID
RECEPTOR GAMMA

Homo sapiens 		PHE A 230
LYS A 236
CYH A 237
LEU A 271
ARG A 274
ILE A 275
ARG A 278
PHE A 288
SER A 289
GLY A 393
LEU A 400		 E9T A 501 (-4.3A)
None
E9T A 501 (-3.6A)
E9T A 501 (-3.6A)
None
E9T A 501 (-3.8A)
E9T A 501 (-3.1A)
E9T A 501 (-4.7A)
E9T A 501 (-2.6A)
E9T A 501 (-3.7A)
None
 0.45A 2lbdA-6fx0A:
39.9		 2lbdA-6fx0A:
16.80
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.
2OC8_A_HU5A999_1 1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

Hepacivirus C 		GLN A 41
HIS A 57
ARG A 123
LEU A 135
GLY A 137
SER A 139
PHE A 154
ARG A 155
ALA A 156
ALA A 157
VAL A 158		 None
 0.76A 2oc8A-1cu1A:
31.2		 2oc8A-1cu1A:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_1 2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

Equine infectious
anemia virus 		LEU A 23
ASP A 25
GLY A 27
ALA A 28
ASP A 29
VAL A 32
ILE A 53
GLY A 55
PRO A 86
VAL A 87
ILE A 89		 None
LP1 A 201 (-2.3A)
LP1 A 201 (-3.8A)
LP1 A 201 (-3.5A)
LP1 A 201 (-3.6A)
None
LP1 A 201 (-4.6A)
LP1 A 201 (-3.4A)
LP1 A 201 (-3.9A)
LP1 A 201 ( 4.9A)
LP1 A 201 (-4.2A)
 0.48A 2q63A-2fmbA:
15.0		 2q63A-2fmbA:
29.81
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.
2XFF_A_QPSA600_1 5wqs BETA-AMYLASE

Ipomoea batatas 		ALA A 185
GLU A 187
ARG A 189
TYR A 193
TRP A 199
PHE A 201
SER A 299
GLY A 300
HIS A 302
THR A 344
MET A 348		 None
None
None
None
None
IPA A 501 ( 4.4A)
None
None
IPA A 501 (-4.5A)
None
IPA A 501 ( 4.4A)
 0.73A 2xffA-5wqsA:
61.0		 2xffA-5wqsA:
11.81
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.
2XIN_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 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 491 ( 3.1A)
 0.48A 2xinB-1a0cA:
38.7		 2xinB-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_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
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 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.67A 2xinB-1a0cA:
38.7		 2xinB-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_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 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 491 ( 3.1A)
 0.48A 2xinB-1a0dA:
38.8		 2xinB-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_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
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 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.64A 2xinB-1a0dA:
38.8		 2xinB-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_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 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 501 ( 3.2A)
 0.53A 2xinB-5nhbA:
40.3		 2xinB-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 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
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 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
FE2 A 501 ( 3.2A)
 0.65A 2xinB-5nhbA:
40.3		 2xinB-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_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 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 491 ( 3.1A)
 0.45A 2xinC-1a0cA:
38.9		 2xinC-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_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
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 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.60A 2xinC-1a0cA:
38.9		 2xinC-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_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 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 491 ( 3.1A)
 0.48A 2xinD-1a0cA:
38.7		 2xinD-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_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
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 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.66A 2xinD-1a0cA:
38.7		 2xinD-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_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 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 491 ( 3.1A)
 0.48A 2xinD-1a0dA:
38.8		 2xinD-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_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
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 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
MN A 491 ( 3.1A)
 0.62A 2xinD-1a0dA:
38.8		 2xinD-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.
2ZJ0_A_2FAA500_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.51A 2zj0A-6f3mB:
51.8		 2zj0A-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.
2ZVA_A_1N1A513_1 1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

Mus musculus 		LEU A 267
ALA A 288
LYS A 290
GLU A 305
MET A 309
VAL A 318
ILE A 332
THR A 334
MET A 337
LEU A 389
ALA A 399		 P16 A 2 ( 4.2A)
P16 A 2 (-3.4A)
P16 A 2 (-4.5A)
P16 A 2 (-4.2A)
P16 A 2 (-3.3A)
P16 A 2 ( 4.7A)
P16 A 2 (-4.1A)
P16 A 2 (-3.7A)
None
P16 A 2 (-4.4A)
P16 A 2 (-3.5A)
 0.76A 2zvaA-1opkA:
32.2		 2zvaA-1opkA:
28.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVA_A_1N1A513_1 1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

Mus musculus 		LEU A 267
ALA A 288
LYS A 290
MET A 309
VAL A 318
ILE A 332
THR A 334
MET A 337
GLY A 340
LEU A 389
ALA A 399		 P16 A 2 ( 4.2A)
P16 A 2 (-3.4A)
P16 A 2 (-4.5A)
P16 A 2 (-3.3A)
P16 A 2 ( 4.7A)
P16 A 2 (-4.1A)
P16 A 2 (-3.7A)
None
P16 A 2 (-3.4A)
P16 A 2 (-4.4A)
P16 A 2 (-3.5A)
 0.77A 2zvaA-1opkA:
32.2		 2zvaA-1opkA:
28.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B7E_A_ZMRA1001_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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)
 0.33A 3b7eA-6br6A:
64.4		 3b7eA-6br6A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B7E_B_ZMRB1002_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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 3b7eB-6br6A:
64.4		 3b7eB-6br6A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1 4m69 RECEPTOR-INTERACTI
NG
SERINE/THREONINE-P
ROTEIN KINASE 3

Mus musculus 		VAL A 36
ALA A 49
LYS A 51
MET A 65
LEU A 93
THR A 95
GLY A 101
LEU A 150
ASP A 161
PHE A 162
LEU A 164		 ANP A 401 (-4.5A)
ANP A 401 (-3.1A)
ANP A 401 (-2.9A)
None
None
ANP A 401 (-3.8A)
None
ANP A 401 (-4.8A)
MG A 403 ( 3.1A)
None
None
 0.66A 3bbtD-4m69A:
19.1		 3bbtD-4m69A:
25.71
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.
3BJM_B_BJMB2_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.72A 3bjmB-6eotA:
28.7		 3bjmB-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 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.54A 3ce6A-6f3mB:
52.2		 3ce6A-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_C_ADNC500_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.54A 3ce6C-6f3mB:
52.2		 3ce6C-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.
3DC3_A_AZMA263_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.33A 3dc3A-3b1bA:
25.0		 3dc3A-3b1bA:
25.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DC3_A_AZMA263_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.32A 3dc3A-6ekiA:
30.0		 3dc3A-6ekiA:
16.60
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.
3DC3_A_AZMA263_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.31A 3dc3A-6fe1A:
34.1		 3dc3A-6fe1A:
14.90
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.
3ELU_A_SAMA4633_0 3gcz POLYPROTEIN

Yokose virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
LEU A 105
VAL A 132
PHE A 133
ASP A 146
ILE A 147		 SAM A4633 (-3.5A)
SAM A4633 (-3.4A)
SAM A4633 (-3.4A)
SAM A4633 (-3.2A)
SAM A4633 (-3.6A)
SAM A4633 (-4.5A)
SAM A4633 (-4.0A)
SAM A4633 (-3.6A)
SAM A4633 (-3.9A)
SAM A4633 (-3.7A)
SAM A4633 ( 4.2A)
 0.20A 3eluA-3gczA:
40.6		 3eluA-3gczA:
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.
3EMB_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
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 (-3.7A)
SAM A4633 ( 4.2A)
 0.24A 3embA-3eluA:
42.3		 3embA-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.
3EYG_A_MI1A1_1 3mvj CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

Homo sapiens 		LEU A 49
GLY A 50
GLY A 52
GLY A 55
VAL A 57
ALA A 70
LYS A 72
MET A 120
ASN A 171
LEU A 173
ASP A 184		 XFE A 351 (-4.2A)
XFE A 351 ( 4.0A)
None
None
XFE A 351 ( 4.5A)
XFE A 351 (-3.2A)
None
XFE A 351 ( 4.0A)
None
XFE A 351 (-4.6A)
None
 0.69A 3eygA-3mvjA:
24.0		 3eygA-3mvjA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EYG_A_MI1A1_1 3she MAP
KINASE-ACTIVATED
PROTEIN KINASE 3

Homo sapiens 		LEU A 50
GLY A 51
GLY A 53
GLY A 56
VAL A 58
ALA A 71
LYS A 73
MET A 118
ASN A 171
LEU A 173
ASP A 187		 I85 A 350 (-3.7A)
I85 A 350 (-3.5A)
I85 A 350 (-3.1A)
None
I85 A 350 (-4.9A)
I85 A 350 (-3.3A)
I85 A 350 (-2.8A)
I85 A 350 ( 3.9A)
I85 A 350 (-4.4A)
None
I85 A 350 (-3.3A)
 0.85A 3eygA-3sheA:
20.5		 3eygA-3sheA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EYG_A_MI1A1_1 4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14

Homo sapiens 		LEU A 406
GLY A 407
GLY A 412
VAL A 414
ALA A 427
LYS A 429
MET A 469
SER A 476
ASN A 520
LEU A 522
ASP A 534		 T28 A 701 (-3.8A)
T28 A 701 ( 3.6A)
None
T28 A 701 (-4.7A)
T28 A 701 (-3.0A)
T28 A 701 ( 3.8A)
T28 A 701 (-2.6A)
T28 A 701 (-3.8A)
T28 A 701 ( 4.9A)
T28 A 701 (-3.9A)
T28 A 701 ( 3.4A)
 0.70A 3eygA-4idtA:
2.5		 3eygA-4idtA:
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.
3EYG_A_MI1A1_1 4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

Homo sapiens 		LEU A 104
GLY A 105
GLY A 107
GLY A 110
VAL A 112
ALA A 125
LYS A 127
MET A 175
ASN A 226
LEU A 228
ASP A 239		 ATP A 501 ( 4.3A)
ATP A 501 (-3.5A)
ATP A 501 (-3.2A)
ATP A 501 (-3.8A)
ATP A 501 (-4.0A)
ATP A 501 (-3.4A)
ATP A 501 (-2.6A)
ATP A 501 (-3.6A)
ZN A 502 ( 2.5A)
ATP A 501 (-4.5A)
ZN A 503 (-1.9A)
 0.64A 3eygA-4wb7A:
24.2		 3eygA-4wb7A:
23.86
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.
3EYG_A_MI1A1_1 5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

Homo sapiens 		LEU A 686
GLY A 687
GLY A 692
VAL A 694
ALA A 707
LYS A 709
MET A 754
SER A 761
ASN A 808
LEU A 810
ASP A 822		 9E1 A1001 (-3.7A)
9E1 A1001 ( 3.4A)
None
9E1 A1001 ( 4.0A)
9E1 A1001 (-3.5A)
9E1 A1001 (-2.8A)
9E1 A1001 (-2.8A)
9E1 A1001 ( 3.9A)
9E1 A1001 ( 4.0A)
9E1 A1001 (-4.5A)
9E1 A1001 (-3.6A)
 0.69A 3eygA-5vilA:
28.0		 3eygA-5vilA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F4X_A_KLTA300_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		ASN A 110
GLN A 161
HIS A 163
HIS A 165
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270		 None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
None
None
None
ZN A 378 ( 4.5A)
None
None
None
 0.39A 3f4xA-3b1bA:
25.3		 3f4xA-3b1bA:
25.45
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.
3F4X_A_KLTA300_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		ASN A 90
GLN A 115
HIS A 117
HIS A 119
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212		 None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
None
None
None
ZN A 301 (-4.4A)
None
None
None
 0.40A 3f4xA-6ekiA:
29.8		 3f4xA-6ekiA:
16.60
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.
3F4X_A_KLTA300_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		ASN A 62
GLN A 92
HIS A 94
HIS A 96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 V14 A 302 (-3.4A)
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
None
 0.48A 3f4xA-6fe1A:
33.3		 3f4xA-6fe1A:
14.90
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.
3FW3_A_ETSA302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		ASN A 110
HIS A 112
GLN A 161
HIS A 163
HIS A 165
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.50A 3fw3A-3b1bA:
24.0		 3fw3A-3b1bA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FW3_A_ETSA302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		ASN A 62
HIS A 64
GLN A 92
HIS A 94
HIS A 96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 V14 A 302 (-3.4A)
None
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.42A 3fw3A-6fe1A:
33.1		 3fw3A-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.
3FW3_B_ETSB303_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		ASN A 110
GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.36A 3fw3B-3b1bA:
24.1		 3fw3B-3b1bA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FW3_B_ETSB303_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		ASN A 90
GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212		 None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 (-3.2A)
None
None
None
ZN A 301 (-4.4A)
None
None
 0.43A 3fw3B-6ekiA:
26.8		 3fw3B-6ekiA:
16.53
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.
3FW3_B_ETSB303_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		ASN A 62
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 (-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
 0.29A 3fw3B-6fe1A:
32.7		 3fw3B-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.
3G0B_C_T22C800_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.80A 3g0bC-6eotA:
29.5		 3g0bC-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_A_ADNA438_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
GLU A 159
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 (-3.9A)
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
 0.59A 3g1uA-6gbnA:
59.9		 3g1uA-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_B_ADNB438_1 6f3m -

- 		HIS B 61
THR B 63
GLN B 65
ASP B 139
THR B 165
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)
K B 504 ( 3.0A)
ZN B 505 ( 2.5A)
NAD B 501 ( 2.8A)
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)
 0.40A 3g1uB-6f3mB:
54.6		 3g1uB-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.
3G1U_C_ADNC438_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
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 (-3.7A)
ADN B 502 (-4.9A)
 0.49A 3g1uC-6f3mB:
55.2		 3g1uC-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.
3G1U_D_ADND438_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
THR B 165
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 (-2.7A)
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)
 0.41A 3g1uD-6f3mB:
55.1		 3g1uD-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.
3G4L_A_ROFA901_0 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
MET A 519
ASN A 567
PRO A 568
TYR A 575
TRP A 578
THR A 579
ILE A 582
SER A 614
PHE A 618		 None
None
9VE A 801 (-3.8A)
9VE A 801 (-4.1A)
9VE A 801 (-3.9A)
9VE A 801 (-4.6A)
None
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 (-4.7A)
9VE A 801 (-3.9A)
 0.27A 3g4lA-5ohjA:
51.7		 3g4lA-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.
3G4L_A_ROFA901_0 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
ASN A 321
PRO A 322
TYR A 329
TRP A 332
THR A 333
ILE A 336
MET A 357
PHE A 372		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
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)
AKJ A 601 (-4.1A)
 0.42A 3g4lA-5wh6A:
54.2		 3g4lA-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_B_ROFB902_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
PHE A 618		 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 (-3.9A)
 0.26A 3g4lB-5ohjA:
52.0		 3g4lB-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.
3G4L_B_ROFB902_0 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
HIS A 406
MET A 519
LEU A 565
PRO A 568
TRP A 578
THR A 579
ILE A 582
MET A 583
MET A 603
PHE A 618		 None
None
9VE A 801 (-3.8A)
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 (-3.6A)
9VE A 801 (-3.9A)
 0.52A 3g4lB-5ohjA:
52.0		 3g4lB-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.
3G4L_C_ROFC903_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
ASN A 567
PRO A 568
TYR A 575
TRP A 578
THR A 579
ILE A 582		 None
None
9VE A 801 (-3.8A)
ZN A 699 ( 2.6A)
9VE A 801 (-4.7A)
9VE A 801 (-4.1A)
9VE A 801 (-3.9A)
9VE A 801 (-4.6A)
None
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
 0.26A 3g4lC-5ohjA:
52.1		 3g4lC-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.
3G4L_D_ROFD904_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
GLN A 369		 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 (-3.0A)
 0.26A 3g4lD-5wh6A:
54.0		 3g4lD-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 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
HIS A 160
MET A 273
LEU A 319
PRO A 322
TRP A 332
THR A 333
ILE A 336
MET A 337
SER A 368
GLN A 369		 AKJ A 601 ( 4.7A)
None
AKJ A 601 ( 3.9A)
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 (-2.5A)
AKJ A 601 (-3.0A)
 0.50A 3g4lD-5wh6A:
54.0		 3g4lD-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.
3G6M_A_CFFA1_1 5df0 AC-CHIA

Autographa
californica
multiple
nucleopolyhedrovi
rus 		TYR A 153
PHE A 181
GLY A 264
TRP A 265
ASP A 303
GLU A 305
MET A 379
TYR A 381
ASP A 382
TYR A 435
TRP A 528		 58Y A 605 (-3.6A)
58Y A 605 (-4.5A)
58Y A 605 ( 4.2A)
NAG A 603 ( 3.9A)
None
58Y A 605 (-3.1A)
58Y A 605 (-3.3A)
58Y A 605 (-4.9A)
58Y A 605 ( 3.0A)
None
58Y A 605 (-3.7A)
 0.52A 3g6mA-5df0A:
12.6		 3g6mA-5df0A:
28.23
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.
3G6M_A_CFFA1_1 5gpr CHITINASE

Ostrinia
furnacalis 		TYR A 156
PHE A 184
GLY A 267
TRP A 268
ASP A 306
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
TRP A 532		 TYR A 156 ( 1.3A)
PHE A 184 ( 1.3A)
GLY A 267 ( 0.0A)
TRP A 268 ( 0.5A)
ASP A 306 ( 0.5A)
GLU A 308 ( 0.6A)
MET A 381 ( 0.0A)
TYR A 383 ( 1.3A)
ASP A 384 ( 0.5A)
TYR A 437 ( 1.3A)
TRP A 532 ( 0.5A)
 0.49A 3g6mA-5gprA:
7.2		 3g6mA-5gprA:
25.95
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.
3G6M_A_CFFA1_1 5gzt CHITINASE

Paenibacillus sp.
FPU-7 		TYR B 564
PHE B 590
GLY B 651
TRP B 652
ASP B 689
GLU B 691
MET B 764
TYR B 766
ASP B 767
TYR B 816
TRP B 905		 None
 0.58A 3g6mA-5gztB:
42.2		 3g6mA-5gztB:
17.51
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.
3G6M_A_CFFA1_1 5gzu CHITINASE

Paenibacillus sp.
FPU-7 		TYR A 564
PHE A 590
GLY A 651
TRP A 652
ASP A 689
GLU A 691
MET A 764
TYR A 766
ASP A 767
TYR A 816
TRP A 905		 None
 0.58A 3g6mA-5gzuA:
41.6		 3g6mA-5gzuA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCZ_A_SAMA4633_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
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 (-3.0A)
SAH A1003 (-3.7A)
SAH A1003 (-3.8A)
SAH A1003 ( 4.3A)
 0.45A 3gczA-5jjrA:
40.4		 3gczA-5jjrA:
20.95
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.
3GCZ_A_SAMA4633_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
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)
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.31A 3gczA-5njuA:
40.7		 3gczA-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.
3GCZ_A_SAMA4633_0 5tmh POLYPROTEIN

Zika virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-2.5A)
SAH A1001 (-3.2A)
SAH A1001 (-3.4A)
SAH A1001 ( 3.8A)
SAH A1001 (-3.6A)
SAH A1001 (-3.5A)
SAH A1001 ( 4.9A)
SAH A1001 (-4.0A)
SAH A1001 (-4.0A)
SAH A1001 (-3.8A)
SAH A1001 ( 4.8A)
 0.40A 3gczA-5tmhA:
39.9		 3gczA-5tmhA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 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 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.39A 3glqA-6f3mB:
53.9		 3glqA-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.
3GLQ_B_RABB602_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.41A 3glqB-6f3mB:
54.0		 3glqB-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.
3K13_B_THHB643_0 5vop 5-METHYLTETRAHYDRO
FOLATE
HOMOCYSTEINE
S-METHYLTRANSFERAS
E

Thermus
thermophilus 		GLU A 373
ASN A 376
GLY A 379
ASP A 443
ASN A 464
VAL A 490
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 (-2.5A)
C2F A3001 (-2.2A)
C2F A3001 ( 4.7A)
C2F A3001 (-3.5A)
C2F A3001 ( 4.5A)
C2F A3001 (-2.6A)
C2F A3001 (-3.0A)
C2F A3001 (-3.5A)
 0.33A 3k13B-5vopA:
39.6		 3k13B-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.
3L4W_A_MIGA1001_1 2g3n ALPHA-GLUCOSIDASE

Sulfolobus
solfataricus 		TYR A 184
ASP A 212
ILE A 213
ILE A 249
TRP A 284
TRP A 318
ASP A 320
TRP A 413
ASP A 416
PHE A 449
HIS A 480		 BOG A2000 (-4.5A)
None
None
None
None
None
None
None
BOG A2000 (-3.0A)
None
None
 0.60A 3l4wA-2g3nA:
37.8		 3l4wA-2g3nA:
27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L4W_A_MIGA1001_1 2g3n ALPHA-GLUCOSIDASE

Sulfolobus
solfataricus 		TYR A 184
ASP A 212
ILE A 213
ILE A 249
TRP A 318
ASP A 320
MET A 321
TRP A 413
ASP A 416
PHE A 449
HIS A 480		 BOG A2000 (-4.5A)
None
None
None
None
None
BOG A2000 ( 4.0A)
None
BOG A2000 (-3.0A)
None
None
 0.32A 3l4wA-2g3nA:
37.8		 3l4wA-2g3nA:
27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LBD_A_9CRA424_1 6fx0 RETINOIC ACID
RECEPTOR GAMMA

Homo sapiens 		PHE A 230
ALA A 234
LEU A 268
LEU A 271
ILE A 275
ARG A 278
SER A 289
PHE A 304
GLY A 393
ALA A 397
ILE A 412		 E9T A 501 (-4.3A)
E9T A 501 (-3.7A)
E9T A 501 (-4.9A)
E9T A 501 (-3.6A)
E9T A 501 (-3.8A)
E9T A 501 (-3.1A)
E9T A 501 (-2.6A)
E9T A 501 (-4.2A)
E9T A 501 (-3.7A)
E9T A 501 ( 3.9A)
E9T A 501 ( 4.8A)
 0.49A 3lbdA-6fx0A:
39.9		 3lbdA-6fx0A:
16.80
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.
3LMY_A_CP6A562_1 1c7t BETA-N-ACETYLHEXOS
AMINIDASE

Serratia
marcescens 		ARG A 349
HIS A 375
ASP A 378
ASP A 448
HIS A 452
ASP A 539
TRP A 639
TYR A 669
ASP A 671
TRP A 737
GLU A 739		 CBS A1001 (-3.0A)
None
CBS A1001 ( 4.8A)
None
CBS A1001 (-4.2A)
CBS A1001 (-3.9A)
CBS A1001 (-3.5A)
CBS A1001 (-4.4A)
CBS A1001 (-3.1A)
CBS A1001 (-3.8A)
CBS A1001 (-2.7A)
 0.44A 3lmyA-1c7tA:
36.1		 3lmyA-1c7tA:
21.71
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.
3LMY_A_CP6A562_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
TRP A 370
TYR A 395
ASP A 397
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 (-3.4A)
OAN A2000 (-4.4A)
OAN A2000 (-3.1A)
OAN A2000 (-3.7A)
OAN A2000 (-2.6A)
 0.33A 3lmyA-3sutA:
38.0		 3lmyA-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_A_CP6A562_1 4c7g BETA-N-ACETYLHEXOS
AMINIDASE

Streptomyces
coelicolor 		ARG A 150
HIS A 176
ASP A 179
ASP A 234
HIS A 238
ASP A 301
TRP A 349
TYR A 381
ASP A 383
TRP A 430
GLU A 432		 NGO A1495 (-2.8A)
None
None
None
NGO A1495 (-4.0A)
NGO A1495 (-3.8A)
NGO A1495 ( 3.4A)
NGO A1495 (-4.5A)
NGO A1495 (-3.0A)
NGO A1495 (-3.6A)
NGO A1495 (-2.7A)
 0.36A 3lmyA-4c7gA:
39.3		 3lmyA-4c7gA:
25.17
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.
3LMY_A_CP6A562_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
TRP B 419
TYR B 445
ASP B 447
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 (-3.6A)
NGT B 707 (-4.6A)
NGT B 707 (-3.4A)
NGT B 707 (-3.8A)
NGT B 707 (-3.0A)
 0.40A 3lmyA-5oarB:
43.7		 3lmyA-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.
3LMY_B_CP6B563_1 1c7t BETA-N-ACETYLHEXOS
AMINIDASE

Serratia
marcescens 		ARG A 349
HIS A 375
ASP A 378
ASP A 448
HIS A 452
ASP A 539
TRP A 616
TRP A 639
TYR A 669
TRP A 737
GLU A 739		 CBS A1001 (-3.0A)
None
CBS A1001 ( 4.8A)
None
CBS A1001 (-4.2A)
CBS A1001 (-3.9A)
CBS A1001 (-3.6A)
CBS A1001 (-3.5A)
CBS A1001 (-4.4A)
CBS A1001 (-3.8A)
CBS A1001 (-2.7A)
 0.44A 3lmyB-1c7tA:
36.1		 3lmyB-1c7tA:
21.71
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.
3LMY_B_CP6B563_1 3rcn BETA-N-ACETYLHEXOS
AMINIDASE

Paenarthrobacter
aurescens 		ARG A 146
HIS A 172
ASP A 175
ASP A 242
HIS A 246
ASP A 312
GLU A 313
TRP A 362
TYR A 404
TRP A 454
GLU A 456		 GOL A 565 (-3.3A)
None
None
None
GOL A 565 (-4.5A)
GOL A 565 (-4.3A)
GOL A 565 (-3.2A)
None
None
GOL A 565 ( 4.5A)
GOL A 565 ( 4.9A)
 0.43A 3lmyB-3rcnA:
40.1		 3lmyB-3rcnA:
27.40
Potential target for repurposing, i.e. matched protein structure has less than 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 4c7g BETA-N-ACETYLHEXOS
AMINIDASE

Streptomyces
coelicolor 		ARG A 150
HIS A 176
ASP A 179
ASP A 234
HIS A 238
ASP A 301
TRP A 332
TRP A 349
TYR A 381
TRP A 430
GLU A 432		 NGO A1495 (-2.8A)
None
None
None
NGO A1495 (-4.0A)
NGO A1495 (-3.8A)
NGO A1495 (-3.6A)
NGO A1495 ( 3.4A)
NGO A1495 (-4.5A)
NGO A1495 (-3.6A)
NGO A1495 (-2.7A)
 0.34A 3lmyB-4c7gA:
39.4		 3lmyB-4c7gA:
25.17
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.
3LPS_A_NOVA901_1 3u2k DNA GYRASE SUBUNIT
B

Staphylococcus
aureus 		ASN A 54
SER A 55
ASP A 57
GLU A 58
ASP A 81
ARG A 84
PRO A 87
ASP A 89
ILE A 102
ARG A 144
THR A 173		 087 A 1 (-3.9A)
087 A 1 (-3.3A)
MG A 234 ( 4.8A)
087 A 1 (-3.4A)
087 A 1 (-3.5A)
087 A 1 (-3.8A)
087 A 1 (-4.3A)
None
None
087 A 1 (-2.5A)
087 A 1 ( 3.8A)
 0.57A 3lpsA-3u2kA:
26.4		 3lpsA-3u2kA:
26.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_A_ADNA500_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.35A 3n58A-6f3mB:
54.2		 3n58A-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_D_ADND500_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
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 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.32A 3n58D-6f3mB:
54.2		 3n58D-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.
3P97_A_SAMA263_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
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 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.53A 3p97A-5njuA:
40.3		 3p97A-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.
3P97_A_SAMA263_0 5tmh POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.2A)
SAH A1001 (-3.4A)
SAH A1001 ( 3.8A)
SAH A1001 (-3.6A)
SAH A1001 (-3.5A)
SAH A1001 ( 4.9A)
SAH A1001 (-3.6A)
SAH A1001 (-4.0A)
SAH A1001 (-4.0A)
SAH A1001 (-3.8A)
SAH A1001 ( 4.8A)
 0.38A 3p97A-5tmhA:
40.0		 3p97A-5tmhA:
22.16
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.
3P97_C_SAMC263_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
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
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.27A 3p97C-5njuA:
40.2		 3p97C-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.
3P97_C_SAMC263_0 5tmh POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.2A)
SAH A1001 (-3.4A)
SAH A1001 ( 3.8A)
SAH A1001 (-3.6A)
SAH A1001 (-3.5A)
SAH A1001 ( 4.9A)
None
SAH A1001 (-4.0A)
SAH A1001 (-4.0A)
SAH A1001 (-3.8A)
SAH A1001 ( 4.8A)
 0.43A 3p97C-5tmhA:
40.2		 3p97C-5tmhA:
22.16
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.
3PCQ_B_PQNB842_1 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Synechocystis sp.
PCC 6803 		TRP b 22
MET b 659
PHE b 660
SER b 663
TRP b 664
ARG b 665
TRP b 668
ILE b 672
ALA b 696
LEU b 697
ALA b 702		 CLA b1841 ( 4.0A)
CLA b1807 ( 3.2A)
PQN b1844 ( 4.2A)
PQN b1844 (-3.7A)
None
None
PQN b1844 ( 3.4A)
CLA b1841 (-4.6A)
PQN b1844 (-3.2A)
PQN b1844 ( 3.8A)
PQN b1844 (-3.1A)
 0.36A 3pcqB-5oy0b:
44.5		 3pcqB-5oy0b:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_A_ACRA701_1 2g3n ALPHA-GLUCOSIDASE

Sulfolobus
solfataricus 		ASP A 87
ASP A 212
ILE A 213
ILE A 249
TRP A 284
ASP A 320
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480		 BOG A2000 (-2.7A)
None
None
None
None
None
BOG A2000 (-3.1A)
None
BOG A2000 (-3.0A)
None
None
 0.51A 3phaA-2g3nA:
42.7		 3phaA-2g3nA:
27.86
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.
3PHA_A_ACRA701_1 3ctt MALTASE-GLUCOAMYLA
SE

Homo sapiens 		ASP A 203
ASP A 327
ILE A 328
ILE A 364
TRP A 406
ASP A 443
ARG A 526
TRP A 539
ASP A 542
PHE A 575
HIS A 600		 GOL A3001 (-2.6A)
3CU A1001 (-2.7A)
3CU A1001 ( 3.9A)
3CU A1001 (-4.5A)
None
3CU A1001 (-2.7A)
3CU A1001 ( 3.5A)
3CU A1001 (-4.6A)
3CU A1001 ( 2.5A)
3CU A1001 (-4.5A)
3CU A1001 (-3.9A)
 0.45A 3phaA-3cttA:
35.5		 3phaA-3cttA:
25.14
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.
3PHA_A_ACRA701_1 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		ASP A 231
ASP A 355
ILE A 356
ILE A 392
TRP A 435
ASP A 472
ARG A 555
TRP A 568
ASP A 571
PHE A 604
HIS A 629		 None
TRS A6001 (-2.9A)
TRS A6001 ( 4.0A)
None
TRS A6001 ( 4.6A)
TRS A6001 (-3.2A)
TRS A6001 ( 4.6A)
None
TRS A6001 ( 3.7A)
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.40A 3phaA-3lppA:
37.6		 3phaA-3lppA:
24.81
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.
3PHA_A_ACRA701_1 3top MALTASE-GLUCOAMYLA
SE, INTESTINAL

Homo sapiens 		ASP A1157
ASP A1279
ILE A1280
ILE A1315
TRP A1355
ASP A1420
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584		 ACR A 1 (-2.6A)
ACR A 1 (-3.2A)
ACR A 1 (-4.1A)
None
ACR A 1 (-4.4A)
ACR A 1 (-3.6A)
ACR A 1 (-2.9A)
ACR A 1 (-4.5A)
ACR A 1 (-2.8A)
ACR A 1 (-4.3A)
ACR A 1 (-3.9A)
 0.41A 3phaA-3topA:
37.4		 3phaA-3topA:
24.38
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.
3PHA_A_ACRA701_1 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		ASP A 232
ASP A 357
ILE A 358
ILE A 396
TRP A 432
ASP A 469
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626		 ACR A1001 (-2.7A)
ACR A1001 (-3.0A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
ACR A1001 ( 4.6A)
ACR A1001 (-3.2A)
ACR A1001 (-3.0A)
ACR A1001 (-4.8A)
ACR A1001 (-2.7A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.37A 3phaA-3welA:
42.1		 3phaA-3welA:
26.07
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.
3PHA_A_ACRA701_1 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		ASP A 303
ASP A 443
ILE A 444
ILE A 480
TRP A 517
ASP A 556
ARG A 617
TRP A 630
ASP A 633
PHE A 666
HIS A 691		 None
TRS A1001 (-2.9A)
TRS A1001 ( 4.1A)
None
TRS A1001 ( 4.9A)
TRS A1001 (-3.2A)
TRS A1001 (-4.0A)
None
TRS A1001 (-2.8A)
TRS A1001 (-4.5A)
TRS A1001 (-4.0A)
 0.42A 3phaA-5dkxA:
39.8		 3phaA-5dkxA:
23.52
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.
3PHA_A_ACRA701_1 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		ASP A 305
ASP A 451
ILE A 452
ILE A 488
TRP A 525
ASP A 564
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698		 None
5GF A1021 (-2.0A)
5GF A1021 (-3.6A)
None
5GF A1021 (-3.7A)
5GF A1021 (-2.1A)
5GF A1021 (-3.4A)
5GF A1021 ( 4.6A)
5GF A1021 (-2.6A)
5GF A1021 (-3.6A)
5GF A1021 (-4.0A)
 0.46A 3phaA-5hjrA:
36.6		 3phaA-5hjrA:
25.99
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.
3POC_A_ACRA664_1 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		TRP A 327
ASP A 355
ILE A 356
ILE A 392
TRP A 435
MET A 473
ARG A 555
TRP A 568
ASP A 571
PHE A 604
HIS A 629		 TRS A6001 ( 3.8A)
TRS A6001 (-2.9A)
TRS A6001 ( 4.0A)
None
TRS A6001 ( 4.6A)
TRS A6001 ( 3.7A)
TRS A6001 ( 4.6A)
None
TRS A6001 ( 3.7A)
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.33A 3pocA-3lppA:
36.1		 3pocA-3lppA:
24.81
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.
3POC_A_ACRA664_1 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 432
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626		 ACR A1001 (-4.1A)
ACR A1001 (-3.0A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
ACR A1001 ( 4.6A)
ACR A1001 (-3.3A)
ACR A1001 (-3.0A)
ACR A1001 (-4.8A)
ACR A1001 (-2.7A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.40A 3pocA-3welA:
36.5		 3pocA-3welA:
26.07
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.
3POC_A_ACRA664_1 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		TRP A 415
ASP A 443
ILE A 444
ILE A 480
TRP A 517
MET A 557
ARG A 617
TRP A 630
ASP A 633
PHE A 666
HIS A 691		 None
TRS A1001 (-2.9A)
TRS A1001 ( 4.1A)
None
TRS A1001 ( 4.9A)
TRS A1001 (-3.5A)
TRS A1001 (-4.0A)
None
TRS A1001 (-2.8A)
TRS A1001 (-4.5A)
TRS A1001 (-4.0A)
 0.44A 3pocA-5dkxA:
35.2		 3pocA-5dkxA:
23.52
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.
3POC_A_ACRA664_1 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		TRP A 423
ASP A 451
ILE A 452
ILE A 488
TRP A 525
MET A 565
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698		 5GF A1021 (-3.1A)
5GF A1021 (-2.0A)
5GF A1021 (-3.6A)
None
5GF A1021 (-3.7A)
5GF A1021 (-2.6A)
5GF A1021 (-3.4A)
5GF A1021 ( 4.6A)
5GF A1021 (-2.6A)
5GF A1021 (-3.6A)
5GF A1021 (-4.0A)
 0.48A 3pocA-5hjrA:
41.2		 3pocA-5hjrA:
25.99
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.
3POC_B_ACRB664_1 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		TRP A 327
ASP A 355
ILE A 356
ILE A 392
TRP A 435
MET A 473
ARG A 555
TRP A 568
ASP A 571
PHE A 604
HIS A 629		 TRS A6001 ( 3.8A)
TRS A6001 (-2.9A)
TRS A6001 ( 4.0A)
None
TRS A6001 ( 4.6A)
TRS A6001 ( 3.7A)
TRS A6001 ( 4.6A)
None
TRS A6001 ( 3.7A)
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.38A 3pocB-3lppA:
38.0		 3pocB-3lppA:
24.81
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.
3POC_B_ACRB664_1 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 432
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626		 ACR A1001 (-4.1A)
ACR A1001 (-3.0A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
ACR A1001 ( 4.6A)
ACR A1001 (-3.3A)
ACR A1001 (-3.0A)
ACR A1001 (-4.8A)
ACR A1001 (-2.7A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.38A 3pocB-3welA:
40.3		 3pocB-3welA:
26.07
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.
3POC_B_ACRB664_1 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		TRP A 415
ASP A 443
ILE A 444
ILE A 480
TRP A 517
MET A 557
ARG A 617
TRP A 630
ASP A 633
PHE A 666
HIS A 691		 None
TRS A1001 (-2.9A)
TRS A1001 ( 4.1A)
None
TRS A1001 ( 4.9A)
TRS A1001 (-3.5A)
TRS A1001 (-4.0A)
None
TRS A1001 (-2.8A)
TRS A1001 (-4.5A)
TRS A1001 (-4.0A)
 0.44A 3pocB-5dkxA:
41.8		 3pocB-5dkxA:
23.52
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.
3POC_B_ACRB664_1 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		TRP A 423
ASP A 451
ILE A 452
ILE A 488
TRP A 525
MET A 565
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698		 5GF A1021 (-3.1A)
5GF A1021 (-2.0A)
5GF A1021 (-3.6A)
None
5GF A1021 (-3.7A)
5GF A1021 (-2.6A)
5GF A1021 (-3.4A)
5GF A1021 ( 4.6A)
5GF A1021 (-2.6A)
5GF A1021 (-3.6A)
5GF A1021 (-4.0A)
 0.49A 3pocB-5hjrA:
42.9		 3pocB-5hjrA:
25.99
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.
3SAN_A_ZMRA901_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
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 ( 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)
 0.26A 3sanA-6br6A:
65.2		 3sanA-6br6A:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SAN_B_ZMRB901_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
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 ( 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)
 0.26A 3sanB-6br6A:
65.1		 3sanB-6br6A:
23.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_1 5wdx JFH-1 NS3

Hepacivirus C 		PHE A 43
VAL A 55
HIS A 57
GLY A 58
ASP A 81
ILE A 132
GLY A 137
SER A 139
PHE A 154
ALA A 156
ALA A 157		 None
 0.49A 3sufB-5wdxA:
27.5		 3sufB-5wdxA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TI5_A_ZMRA1002_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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 3ti5A-6br6A:
64.5		 3ti5A-6br6A:
13.17
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.
3TI5_B_ZMRB1002_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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 3ti5B-6br6A:
64.5		 3ti5B-6br6A:
13.17
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.
3TIC_A_ZMRA1002_1 1vcj NEURAMINIDASE

Influenza B virus 		ARG A 116
GLU A 117
ASP A 149
TRP A 177
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ASN A 294
ARG A 374
TYR A 409		 IBA A 1 (-3.3A)
IBA A 1 (-3.9A)
IBA A 1 (-3.6A)
None
IBA A 1 (-3.9A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.9A)
IBA A 1 (-3.5A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.2A)
None
 0.55A 3ticA-1vcjA:
54.2		 3ticA-1vcjA:
28.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TIC_B_ZMRB1002_1 1vcj NEURAMINIDASE

Influenza B virus 		ARG A 116
GLU A 117
ASP A 149
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ASN A 294
ARG A 374
TYR A 409		 IBA A 1 (-3.3A)
IBA A 1 (-3.9A)
IBA A 1 (-3.6A)
IBA A 1 ( 4.5A)
IBA A 1 (-3.9A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.9A)
IBA A 1 (-3.5A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.2A)
None
 0.56A 3ticB-1vcjA:
54.1		 3ticB-1vcjA:
28.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TIC_C_ZMRC1002_1 1vcj NEURAMINIDASE

Influenza B virus 		ARG A 116
GLU A 117
ASP A 149
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ASN A 294
ARG A 374
TYR A 409		 IBA A 1 (-3.3A)
IBA A 1 (-3.9A)
IBA A 1 (-3.6A)
IBA A 1 ( 4.5A)
IBA A 1 (-3.9A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.9A)
IBA A 1 (-3.5A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.2A)
None
 0.58A 3ticC-1vcjA:
54.2		 3ticC-1vcjA:
28.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TIC_D_ZMRD1002_1 1vcj NEURAMINIDASE

Influenza B virus 		ARG A 116
GLU A 117
ASP A 149
ARG A 223
GLU A 226
ALA A 245
GLU A 276
ARG A 292
ASN A 294
ARG A 374
TYR A 409		 IBA A 1 (-3.3A)
IBA A 1 (-3.9A)
IBA A 1 (-3.6A)
IBA A 1 ( 4.5A)
IBA A 1 (-3.9A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.9A)
IBA A 1 (-3.5A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.2A)
None
 0.56A 3ticD-1vcjA:
54.2		 3ticD-1vcjA:
28.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TOP_A_ACRA1_1 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		ASP A 303
ASP A 443
ILE A 480
TRP A 517
ASP A 556
MET A 557
ARG A 617
ASP A 633
PHE A 666
PHE A 667
HIS A 691		 None
TRS A1001 (-2.9A)
None
TRS A1001 ( 4.9A)
TRS A1001 (-3.2A)
TRS A1001 (-3.5A)
TRS A1001 (-4.0A)
TRS A1001 (-2.8A)
TRS A1001 (-4.5A)
None
TRS A1001 (-4.0A)
 0.49A 3topA-5dkxA:
37.4		 3topA-5dkxA:
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.
3TOP_A_ACRA1_1 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		ASP A 305
ASP A 451
ILE A 488
TRP A 525
ASP A 564
MET A 565
ARG A 624
ASP A 640
PHE A 673
PHE A 674
HIS A 698		 None
5GF A1021 (-2.0A)
None
5GF A1021 (-3.7A)
5GF A1021 (-2.1A)
5GF A1021 (-2.6A)
5GF A1021 (-3.4A)
5GF A1021 (-2.6A)
5GF A1021 (-3.6A)
None
5GF A1021 (-4.0A)
 0.48A 3topA-5hjrA:
41.9		 3topA-5hjrA:
27.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VT7_A_VDXA500_1 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		TYR A 175
LEU A 261
VAL A 262
SER A 265
ARG A 302
SER A 303
SER A 306
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 (-3.8A)
DZW A 501 (-2.7A)
DZW A 501 ( 4.3A)
DZW A 501 (-3.9A)
None
DZW A 501 (-4.0A)
 0.26A 3vt7A-6fobA:
36.5		 3vt7A-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.
3VT7_A_VDXA500_1 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		TYR A 175
TYR A 179
VAL A 262
SER A 265
ARG A 302
SER A 303
SER A 306
VAL A 328
HIS A 333
LEU A 337
HIS A 423		 None
DZW A 501 ( 4.8A)
None
DZW A 501 (-3.0A)
DZW A 501 (-3.8A)
DZW A 501 (-3.8A)
DZW A 501 (-2.7A)
DZW A 501 ( 4.3A)
DZW A 501 (-3.9A)
None
DZW A 501 (-4.0A)
 0.62A 3vt7A-6fobA:
36.5		 3vt7A-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.
3WQV_A_GCSA501_1 1e6z CHITINASE B

Serratia
marcescens 		PHE A 51
GLY A 96
TRP A 97
ASP A 142
GLU A 144
MET A 212
TYR A 214
ASP A 215
TYR A 292
ARG A 294
TRP A 403		 NGO A 502 (-4.7A)
NGO A 502 ( 3.8A)
NAG A 503 ( 3.7A)
NGO A 502 (-3.1A)
NGO A 502 (-3.4A)
NGO A 502 (-3.4A)
NGO A 502 (-4.5A)
NGO A 502 ( 3.1A)
NGO A 502 (-4.8A)
NAG A 503 ( 4.9A)
NGO A 502 (-3.5A)
 0.51A 3wqvA-1e6zA:
41.6		 3wqvA-1e6zA:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1 2wk2 CHITINASE A

Serratia
marcescens 		PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
ARG A 446
TRP A 539		 SN5 A1564 (-4.6A)
NGT A1565 ( 3.9A)
SN5 A1566 (-3.3A)
NGT A1565 (-3.4A)
SN5 A1566 ( 2.9A)
NGT A1565 (-3.7A)
NGT A1565 (-4.7A)
NGT A1565 (-2.9A)
NGT A1565 ( 4.9A)
SN5 A1566 ( 3.5A)
NGT A1565 ( 3.5A)
 0.49A 3wqvA-2wk2A:
42.8		 3wqvA-2wk2A:
23.28
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.
3WQV_A_GCSA501_1 4q22 GLYCOSIDE
HYDROLASE FAMILY
18

Serratia
proteamaculans 		PHE A 58
GLY A 113
TRP A 114
ASP A 151
GLU A 153
MET A 220
TYR A 222
ASP A 223
TYR A 276
ARG A 278
TRP A 395		 None
ACT A 502 ( 4.6A)
None
ACT A 502 (-3.0A)
ACT A 502 (-3.8A)
ACT A 502 ( 3.1A)
GOL A 504 ( 4.6A)
GOL A 504 (-2.7A)
GOL A 504 ( 4.7A)
GOL A 504 (-4.1A)
GOL A 504 (-3.7A)
 0.40A 3wqvA-4q22A:
41.2		 3wqvA-4q22A:
29.23
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.
3WQV_A_GCSA501_1 4txg CHITINASE

Chromobacterium
violaceum 		PHE A 190
GLY A 254
TRP A 255
ASP A 312
GLU A 314
MET A 395
TYR A 397
ASP A 398
TYR A 464
ARG A 466
TRP A 603		 None
None
None
None
CS A 803 (-2.9A)
CS A 803 (-3.5A)
CS A 812 (-4.4A)
CS A 812 (-4.0A)
CS A 812 (-4.5A)
None
CS A 812 ( 4.2A)
 0.46A 3wqvA-4txgA:
34.7		 3wqvA-4txgA:
22.28
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.
3WQV_A_GCSA501_1 4w5u CHITINASE

Streptomyces
thermoviolaceus 		PHE B 78
GLY B 141
TRP B 142
ASP B 181
GLU B 183
MET B 248
TYR B 250
ASP B 251
TYR B 305
ARG B 307
TRP B 388		 None
None
MLI B 501 ( 3.8A)
None
None
None
None
MLI B 501 ( 4.7A)
None
None
None
 0.74A 3wqvA-4w5uB:
43.8		 3wqvA-4w5uB:
29.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQV_A_GCSA501_1 5zl9 CHITINASE AB

Serratia
marcescens 		PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
ARG A 448
TRP A 541		 GOL A 706 (-4.9A)
GOL A 706 ( 4.1A)
None
GOL A 706 (-3.5A)
GOL A 706 (-3.3A)
GOL A 706 (-3.3A)
GOL A 706 (-4.8A)
GOL A 703 (-3.0A)
GOL A 703 (-3.5A)
GOL A 703 (-4.0A)
GOL A 706 ( 3.8A)
 0.53A 3wqvA-5zl9A:
42.6		 3wqvA-5zl9A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1 1e6z CHITINASE B

Serratia
marcescens 		PHE A 51
GLY A 96
TRP A 97
ASP A 142
GLU A 144
MET A 212
TYR A 214
ASP A 215
TYR A 292
ARG A 294
TRP A 403		 NGO A 502 (-4.7A)
NGO A 502 ( 3.8A)
NAG A 503 ( 3.7A)
NGO A 502 (-3.1A)
NGO A 502 (-3.4A)
NGO A 502 (-3.4A)
NGO A 502 (-4.5A)
NGO A 502 ( 3.1A)
NGO A 502 (-4.8A)
NAG A 503 ( 4.9A)
NGO A 502 (-3.5A)
 0.53A 3wqwA-1e6zA:
41.6		 3wqwA-1e6zA:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WQW_A_GCSA501_1 2wk2 CHITINASE A

Serratia
marcescens 		PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 388
TYR A 390
ASP A 391
TYR A 444
ARG A 446
TRP A 539		 SN5 A1564 (-4.6A)
NGT A1565 ( 3.9A)
SN5 A1566 (-3.3A)
NGT A1565 (-3.4A)
SN5 A1566 ( 2.9A)
NGT A1565 (-3.7A)
NGT A1565 (-4.7A)
NGT A1565 (-2.9A)
NGT A1565 ( 4.9A)
SN5 A1566 ( 3.5A)
NGT A1565 ( 3.5A)
 0.51A 3wqwA-2wk2A:
42.9		 3wqwA-2wk2A:
23.28
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.
3WQW_A_GCSA501_1 4q22 GLYCOSIDE
HYDROLASE FAMILY
18

Serratia
proteamaculans 		PHE A 58
GLY A 113
TRP A 114
ASP A 151
GLU A 153
MET A 220
TYR A 222
ASP A 223
TYR A 276
ARG A 278
TRP A 395		 None
ACT A 502 ( 4.6A)
None
ACT A 502 (-3.0A)
ACT A 502 (-3.8A)
ACT A 502 ( 3.1A)
GOL A 504 ( 4.6A)
GOL A 504 (-2.7A)
GOL A 504 ( 4.7A)
GOL A 504 (-4.1A)
GOL A 504 (-3.7A)
 0.41A 3wqwA-4q22A:
41.2		 3wqwA-4q22A:
29.23
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.
3WQW_A_GCSA501_1 4txg CHITINASE

Chromobacterium
violaceum 		PHE A 190
GLY A 254
TRP A 255
ASP A 312
GLU A 314
MET A 395
TYR A 397
ASP A 398
TYR A 464
ARG A 466
TRP A 603		 None
None
None
None
CS A 803 (-2.9A)
CS A 803 (-3.5A)
CS A 812 (-4.4A)
CS A 812 (-4.0A)
CS A 812 (-4.5A)
None
CS A 812 ( 4.2A)
 0.48A 3wqwA-4txgA:
34.7		 3wqwA-4txgA:
22.28
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.
3WQW_A_GCSA501_1 5zl9 CHITINASE AB

Serratia
marcescens 		PHE A 191
GLY A 274
TRP A 275
ASP A 313
GLU A 315
MET A 390
TYR A 392
ASP A 393
TYR A 446
ARG A 448
TRP A 541		 GOL A 706 (-4.9A)
GOL A 706 ( 4.1A)
None
GOL A 706 (-3.5A)
GOL A 706 (-3.3A)
GOL A 706 (-3.3A)
GOL A 706 (-4.8A)
GOL A 703 (-3.0A)
GOL A 703 (-3.5A)
GOL A 703 (-4.0A)
GOL A 706 ( 3.8A)
 0.55A 3wqwA-5zl9A:
42.7		 3wqwA-5zl9A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 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_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
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 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.47A 3ximA-1a0cA:
38.8		 3ximA-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_A_SORA397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
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 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)
 0.54A 3ximA-1a0dA:
38.9		 3ximA-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_A_SORA397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
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
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)
 0.57A 3ximA-1a0eA:
40.4		 3ximA-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_A_SORA397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
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 3ximA-4xkmA:
39.1		 3ximA-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_A_SORA397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
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 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 3ximA-5nhbA:
40.4		 3ximA-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_C_SORC397_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
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
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)
 0.43A 3ximC-1a0cA:
38.9		 3ximC-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_C_SORC397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
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
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)
 0.47A 3ximC-1a0dA:
38.8		 3ximC-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_C_SORC397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
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
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)
 0.65A 3ximC-1a0eA:
40.3		 3ximC-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_C_SORC397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
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
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)
 0.51A 3ximC-4xkmA:
39.0		 3ximC-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_C_SORC397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
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
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)
 0.50A 3ximC-5nhbA:
40.2		 3ximC-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.
4B7N_A_ZMRA601_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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)
 0.33A 4b7nA-6br6A:
64.3		 4b7nA-6br6A:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7Q_A_ZMRA601_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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)
 0.33A 4b7qA-6br6A:
64.1		 4b7qA-6br6A:
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.
4B7Q_B_ZMRB601_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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)
 0.39A 4b7qB-6br6A:
64.1		 4b7qB-6br6A:
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.
4B7Q_C_ZMRC601_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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)
 0.35A 4b7qC-6br6A:
64.0		 4b7qC-6br6A:
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.
4B7Q_D_ZMRD601_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 224
GLU A 227
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 (-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)
 0.37A 4b7qD-6br6A:
64.2		 4b7qD-6br6A:
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.
4CPN_A_ZMRA700_1 1xog NEURAMINIDASE

Influenza A virus 		ARG A 119
GLU A 120
ASP A 152
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406		 ABW A1000 (-3.2A)
ABW A1000 (-3.7A)
ABW A1000 (-3.7A)
None
ABW A1000 ( 4.0A)
ABW A1000 ( 3.8A)
ABW A1000 (-4.5A)
ABW A1000 (-3.4A)
ABW A1000 ( 4.0A)
ABW A1000 (-2.8A)
ABW A1000 (-4.9A)
 0.68A 4cpnA-1xogA:
53.5		 4cpnA-1xogA:
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.
4CPN_A_ZMRA700_1 4h53 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		 SLB A 512 (-2.7A)
SLB A 512 (-3.5A)
SLB A 512 (-3.5A)
SLB A 512 (-4.2A)
None
SLB A 512 (-3.3A)
SLB A 512 (-2.8A)
SLB A 512 (-2.7A)
SLB A 512 (-3.1A)
SLB A 512 ( 4.2A)
SLB A 512 (-2.9A)
 0.53A 4cpnA-4h53A:
55.2		 4cpnA-4h53A:
28.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPN_B_ZMRB700_1 1xog NEURAMINIDASE

Influenza A virus 		ARG A 119
GLU A 120
ASP A 152
ARG A 157
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ARG A 372
TYR A 406		 ABW A1000 (-3.2A)
ABW A1000 (-3.7A)
ABW A1000 (-3.7A)
ABW A1000 (-4.2A)
None
ABW A1000 ( 4.0A)
ABW A1000 ( 3.8A)
ABW A1000 (-4.5A)
ABW A1000 (-3.4A)
ABW A1000 (-2.8A)
ABW A1000 (-4.9A)
 0.60A 4cpnB-1xogA:
53.5		 4cpnB-1xogA:
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.
4CPN_B_ZMRB700_1 4h53 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		 SLB A 512 (-2.7A)
SLB A 512 (-3.5A)
SLB A 512 (-3.5A)
None
SLB A 512 (-4.2A)
None
SLB A 512 (-3.3A)
SLB A 512 (-2.8A)
SLB A 512 (-2.7A)
SLB A 512 (-3.1A)
SLB A 512 (-2.9A)
 0.48A 4cpnB-4h53A:
55.1		 4cpnB-4h53A:
28.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_A_ZMRA1471_1 1v0z NEURAMINIDASE

Influenza A virus 		ARG A 124
GLU A 125
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
 0.61A 4cpzA-1v0zA:
53.7		 4cpzA-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_A_ZMRA1471_1 4qn3 NEURAMINIDASE

Influenza A virus 		ARG A 36
GLU A 37
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 4cpzA-4qn3A:
12.1		 4cpzA-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_A_ZMRA1471_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
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 ( 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 4cpzA-6br6A:
54.4		 4cpzA-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_B_ZMRB1471_1 1v0z NEURAMINIDASE

Influenza A virus 		ARG A 124
GLU A 125
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
 0.56A 4cpzB-1v0zA:
53.6		 4cpzB-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_B_ZMRB1471_1 4qn3 NEURAMINIDASE

Influenza A virus 		ARG A 36
GLU A 37
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
 0.59A 4cpzB-4qn3A:
53.5		 4cpzB-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_B_ZMRB1471_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
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 ( 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)
 0.49A 4cpzB-6br6A:
14.4		 4cpzB-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_C_ZMRC1470_1 1xog NEURAMINIDASE

Influenza A virus 		ARG A 119
GLU A 120
ASP A 152
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406		 ABW A1000 (-3.2A)
ABW A1000 (-3.7A)
ABW A1000 (-3.7A)
None
ABW A1000 ( 4.0A)
ABW A1000 ( 3.8A)
ABW A1000 (-4.5A)
ABW A1000 (-3.4A)
ABW A1000 ( 4.0A)
ABW A1000 (-2.8A)
ABW A1000 (-4.9A)
 0.63A 4cpzC-1xogA:
53.1		 4cpzC-1xogA:
28.16
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.
4CPZ_C_ZMRC1470_1 4h53 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		 SLB A 512 (-2.7A)
SLB A 512 (-3.5A)
SLB A 512 (-3.5A)
SLB A 512 (-4.2A)
None
SLB A 512 (-3.3A)
SLB A 512 (-2.8A)
SLB A 512 (-2.7A)
SLB A 512 (-3.1A)
SLB A 512 ( 4.2A)
SLB A 512 (-2.9A)
 0.50A 4cpzC-4h53A:
54.9		 4cpzC-4h53A:
28.07
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.
4CPZ_D_ZMRD1471_1 1v0z NEURAMINIDASE

Influenza A virus 		ARG A 124
GLU A 125
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 4cpzD-1v0zA:
53.6		 4cpzD-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_D_ZMRD1471_1 4qn3 NEURAMINIDASE

Influenza A virus 		ARG A 36
GLU A 37
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
 0.60A 4cpzD-4qn3A:
53.3		 4cpzD-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_D_ZMRD1471_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
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 ( 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 4cpzD-6br6A:
54.2		 4cpzD-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_E_ZMRE1471_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
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 (-2.9A)
E3M A 511 (-4.5A)
 0.57A 4cpzE-6br6A:
54.2		 4cpzE-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 1xog NEURAMINIDASE

Influenza A virus 		ARG A 119
GLU A 120
ASP A 152
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406		 ABW A1000 (-3.2A)
ABW A1000 (-3.7A)
ABW A1000 (-3.7A)
None
ABW A1000 ( 4.0A)
ABW A1000 ( 3.8A)
ABW A1000 (-4.5A)
ABW A1000 (-3.4A)
ABW A1000 ( 4.0A)
ABW A1000 (-2.8A)
ABW A1000 (-4.9A)
 0.61A 4cpzF-1xogA:
53.0		 4cpzF-1xogA:
28.16
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.
4CPZ_F_ZMRF1470_1 4h53 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		 SLB A 512 (-2.7A)
SLB A 512 (-3.5A)
SLB A 512 (-3.5A)
SLB A 512 (-4.2A)
None
SLB A 512 (-3.3A)
SLB A 512 (-2.8A)
SLB A 512 (-2.7A)
SLB A 512 (-3.1A)
SLB A 512 ( 4.2A)
SLB A 512 (-2.9A)
 0.53A 4cpzF-4h53A:
54.7		 4cpzF-4h53A:
28.07
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.
4CPZ_G_ZMRG1471_1 1xog NEURAMINIDASE

Influenza A virus 		ARG A 119
GLU A 120
ASP A 152
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406		 ABW A1000 (-3.2A)
ABW A1000 (-3.7A)
ABW A1000 (-3.7A)
None
ABW A1000 ( 4.0A)
ABW A1000 ( 3.8A)
ABW A1000 (-4.5A)
ABW A1000 (-3.4A)
ABW A1000 ( 4.0A)
ABW A1000 (-2.8A)
ABW A1000 (-4.9A)
 0.60A 4cpzG-1xogA:
52.9		 4cpzG-1xogA:
28.16
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.
4CPZ_G_ZMRG1471_1 4h53 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		 SLB A 512 (-2.7A)
SLB A 512 (-3.5A)
SLB A 512 (-3.5A)
SLB A 512 (-4.2A)
None
SLB A 512 (-3.3A)
SLB A 512 (-2.8A)
SLB A 512 (-2.7A)
SLB A 512 (-3.1A)
SLB A 512 ( 4.2A)
SLB A 512 (-2.9A)
 0.51A 4cpzG-4h53A:
54.6		 4cpzG-4h53A:
28.07
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.
4CPZ_G_ZMRG1471_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 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324		 None
 0.45A 4cpzG-4qn3A:
53.3		 4cpzG-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_H_ZMRH1470_1 1xog NEURAMINIDASE

Influenza A virus 		ARG A 119
GLU A 120
ASP A 152
ARG A 226
GLU A 229
ALA A 248
GLU A 279
ARG A 294
ASN A 296
ARG A 372
TYR A 406		 ABW A1000 (-3.2A)
ABW A1000 (-3.7A)
ABW A1000 (-3.7A)
None
ABW A1000 ( 4.0A)
ABW A1000 ( 3.8A)
ABW A1000 (-4.5A)
ABW A1000 (-3.4A)
ABW A1000 ( 4.0A)
ABW A1000 (-2.8A)
ABW A1000 (-4.9A)
 0.68A 4cpzH-1xogA:
53.0		 4cpzH-1xogA:
28.16
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.
4CPZ_H_ZMRH1470_1 4h53 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		 SLB A 512 (-2.7A)
SLB A 512 (-3.5A)
SLB A 512 (-3.5A)
SLB A 512 (-4.2A)
None
SLB A 512 (-3.3A)
SLB A 512 (-2.8A)
SLB A 512 (-2.7A)
SLB A 512 (-3.1A)
SLB A 512 ( 4.2A)
SLB A 512 (-2.9A)
 0.56A 4cpzH-4h53A:
54.7		 4cpzH-4h53A:
28.07
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.
4CPZ_H_ZMRH1470_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 196
ARG A 211
ASN A 213
ARG A 290
TYR A 324		 None
 0.57A 4cpzH-4qn3A:
53.4		 4cpzH-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.
4CTJ_C_SAMC1263_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
HIS A 110
GLU A 111
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)
SAH A1001 (-4.0A)
None
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.26A 4ctjC-5njuA:
40.3		 4ctjC-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.
4CTK_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
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 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.59A 4ctkA-5njuA:
40.4		 4ctkA-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.
4CTK_C_SAMC1263_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
GLU A 111
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 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.11A 4ctkC-5njuA:
40.3		 4ctkC-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.
4CTK_C_SAMC1263_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
GLU A 111
VAL A 132
ASP A 146		 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
None
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
 0.54A 4ctkC-5njuA:
40.3		 4ctkC-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.
4DVO_A_SORA404_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
LYS A 233
ASN A 265
GLU A 267
HIS A 270
ASP A 295
ASP A 306		 None
None
None
None
None
None
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
 0.39A 4dvoA-1a0cA:
39.7		 4dvoA-1a0cA:
29.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DVO_A_SORA404_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
LYS A 231
ASN A 263
GLU A 265
HIS A 268
ASP A 293
ASP A 304		 None
None
None
None
None
MN A 492 ( 4.8A)
None
MN A 492 ( 2.3A)
MN A 492 (-4.2A)
MN A 491 ( 3.4A)
MN A 492 ( 3.2A)
 0.44A 4dvoA-1a0dA:
39.8		 4dvoA-1a0dA:
27.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DVO_A_SORA404_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
VAL A 185
TRP A 187
LYS A 233
ASN A 265
GLU A 267
HIS A 270
ASP A 295
ASP A 306		 None
None
None
None
None
CO A 492 ( 4.4A)
None
CO A 492 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.2A)
CO A 492 (-4.3A)
 0.61A 4dvoA-1a0eA:
41.5		 4dvoA-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.
4DVO_A_SORA404_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
LYS A 236
ASN A 268
GLU A 270
HIS A 273
ASP A 298
ASP A 309		 None
None
None
None
None
None
None
MN A 502 ( 2.5A)
MN A 502 (-4.2A)
MN A 501 (-3.2A)
MN A 502 (-3.3A)
 0.48A 4dvoA-4xkmA:
40.0		 4dvoA-4xkmA:
28.45
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.
4DVO_A_SORA404_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
LYS A 235
ASN A 267
GLU A 269
HIS A 272
ASP A 297
ASP A 308		 None
None
None
None
None
FE2 A 502 ( 4.1A)
None
FE2 A 502 ( 2.3A)
FE2 A 502 (-3.6A)
FE2 A 501 (-3.0A)
FE2 A 502 (-3.2A)
 0.47A 4dvoA-5nhbA:
40.9		 4dvoA-5nhbA:
29.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_A_AZMA302_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.40A 4g7aA-1jd0A:
30.3		 4g7aA-1jd0A:
27.97
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.
4G7A_A_AZMA302_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227		 None
ZN A 283 ( 3.2A)
ZN A 283 (-3.2A)
ZN A 283 ( 4.5A)
ZN A 283 ( 3.1A)
ACY A 279 ( 4.7A)
None
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.24A 4g7aA-1y7wA:
25.9		 4g7aA-1y7wA:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_A_AZMA302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.23A 4g7aA-3b1bA:
27.6		 4g7aA-3b1bA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_A_AZMA302_1 3q31 CARBONIC ANHYDRASE

Aspergillus
oryzae 		GLN A 121
HIS A 123
HIS A 125
GLU A 129
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
THR A 216
TRP A 225		 MLT A 3 (-3.9A)
ZN A 1 ( 3.2A)
ZN A 1 (-3.3A)
ZN A 1 ( 4.7A)
ZN A 1 ( 3.2A)
None
MLT A 3 (-4.6A)
MLT A 3 ( 4.2A)
MLT A 3 ( 4.3A)
MLT A 3 (-2.8A)
MLT A 3 (-4.9A)
 0.32A 4g7aA-3q31A:
27.7		 4g7aA-3q31A:
29.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_A_AZMA302_1 5jn9 CARBONIC ANHYDRASE
4

Homo sapiens 		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
TRP A 209		 EZL A 302 (-4.3A)
ZN A 301 ( 3.3A)
ZN A 301 ( 3.3A)
ZN A 301 ( 4.6A)
ZN A 301 ( 3.2A)
EZL A 302 (-4.7A)
EZL A 302 ( 4.7A)
EZL A 302 (-3.5A)
EZL A 302 (-3.4A)
EZL A 302 (-3.9A)
None
 0.32A 4g7aA-5jn9A:
27.8		 4g7aA-5jn9A:
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.
4G7A_A_AZMA302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.19A 4g7aA-6ekiA:
34.5		 4g7aA-6ekiA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_A_AZMA302_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.32A 4g7aA-6fe1A:
29.8		 4g7aA-6fe1A:
16.60
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.
4G7A_B_AZMB302_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.38A 4g7aB-1jd0A:
30.0		 4g7aB-1jd0A:
27.97
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.
4G7A_B_AZMB302_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227		 None
ZN A 283 ( 3.2A)
ZN A 283 (-3.2A)
ZN A 283 ( 4.5A)
ZN A 283 ( 3.1A)
ACY A 279 ( 4.7A)
None
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.26A 4g7aB-1y7wA:
25.9		 4g7aB-1y7wA:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_B_AZMB302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.25A 4g7aB-3b1bA:
27.7		 4g7aB-3b1bA:
27.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_B_AZMB302_1 3q31 CARBONIC ANHYDRASE

Aspergillus
oryzae 		GLN A 121
HIS A 123
HIS A 125
GLU A 129
HIS A 142
VAL A 144
VAL A 154
LEU A 214
THR A 215
THR A 216
TRP A 225		 MLT A 3 (-3.9A)
ZN A 1 ( 3.2A)
ZN A 1 (-3.3A)
ZN A 1 ( 4.7A)
ZN A 1 ( 3.2A)
None
MLT A 3 (-4.6A)
MLT A 3 ( 4.2A)
MLT A 3 ( 4.3A)
MLT A 3 (-2.8A)
MLT A 3 (-4.9A)
 0.31A 4g7aB-3q31A:
27.7		 4g7aB-3q31A:
29.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_B_AZMB302_1 5jn9 CARBONIC ANHYDRASE
4

Homo sapiens 		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
TRP A 209		 EZL A 302 (-4.3A)
ZN A 301 ( 3.3A)
ZN A 301 ( 3.3A)
ZN A 301 ( 4.6A)
ZN A 301 ( 3.2A)
EZL A 302 (-4.7A)
EZL A 302 ( 4.7A)
EZL A 302 (-3.5A)
EZL A 302 (-3.4A)
EZL A 302 (-3.9A)
None
 0.31A 4g7aB-5jn9A:
27.9		 4g7aB-5jn9A:
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.
4G7A_B_AZMB302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.20A 4g7aB-6ekiA:
34.3		 4g7aB-6ekiA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G7A_B_AZMB302_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.29A 4g7aB-6fe1A:
29.7		 4g7aB-6fe1A:
16.60
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.
4HVC_A_HFGA1602_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
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)
86X A1004 ( 4.2A)
 0.33A 4hvcA-5xiiA:
51.5		 4hvcA-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_A_HFGA1602_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		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		 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)
 0.63A 4hvcA-5xipA:
50.3		 4hvcA-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.
4HVC_B_HFGB1602_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
PHE A 307
VAL A 311
PRO A 330
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482		 None
HFG A 801 (-3.7A)
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
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)
 0.38A 4hvcB-5xioA:
49.4		 4hvcB-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.
4I41_A_MIXA500_1 5y86 DUAL SPECIFICITY
TYROSINE-PHOSPHORY
LATION-REGULATED
KINASE 3

Homo sapiens 		PHE A 220
VAL A 223
ALA A 236
ILE A 272
ASP A 294
ASP A 335
LYS A 337
ASN A 340
LEU A 342
ILE A 354
ASP A 355		 HRM A 601 ( 4.1A)
HRM A 601 ( 4.9A)
HRM A 601 (-3.5A)
HRM A 601 ( 4.8A)
None
None
PO4 A 602 (-3.5A)
None
None
HRM A 601 (-3.7A)
HRM A 601 (-4.7A)
 0.74A 4i41A-5y86A:
24.8		 4i41A-5y86A:
12.59
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.
4K0Z_A_MZMA308_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
None
 0.40A 4k0zA-3b1bA:
25.0		 4k0zA-3b1bA:
26.14
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.
4K0Z_A_MZMA308_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212		 None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 (-3.2A)
None
None
None
ZN A 301 (-4.4A)
None
None
None
 0.30A 4k0zA-6ekiA:
30.1		 4k0zA-6ekiA:
16.60
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.
4K0Z_A_MZMA308_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		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
PRO A 202
TRP A 209		 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
None
 0.39A 4k0zA-6fe1A:
34.3		 4k0zA-6fe1A:
14.90
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.
4K13_A_ETSA304_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
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 (-3.2A)
None
None
None
None
ZN A 301 (-4.4A)
None
None
 0.27A 4k13A-6ekiA:
30.1		 4k13A-6ekiA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K13_A_ETSA304_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		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		 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
 0.41A 4k13A-6fe1A:
34.1		 4k13A-6fe1A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KUK_A_RBFA201_1 6gbv PUTATIVE
BLUE-LIGHT
PHOTORECEPTOR

Dinoroseobacter
shibae 		VAL A 38
SER A 40
ASN A 47
ASN A 71
CYH A 72
ARG A 73
ASN A 104
ASN A 114
LEU A 116
ILE A 118
GLN A 135		 FMN A 500 (-4.8A)
FMN A 500 (-3.1A)
FMN A 500 ( 3.7A)
FMN A 500 ( 3.2A)
FMN A 500 (-3.7A)
FMN A 500 (-4.5A)
FMN A 500 (-3.0A)
FMN A 500 (-4.0A)
FMN A 500 (-4.1A)
None
FMN A 500 (-3.8A)
 0.66A 4kukA-6gbvA:
25.8		 4kukA-6gbvA:
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 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.22A 4lvcA-6f3mB:
53.5		 4lvcA-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.
4LVC_B_ADNB501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
HIS B 323
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 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.25A 4lvcB-6f3mB:
53.4		 4lvcB-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.
4LVC_C_ADNC501_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.18A 4lvcC-6f3mB:
53.7		 4lvcC-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.
4LXZ_A_SHHA407_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		HIS B 500
PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
ASP B 742
GLY B 780
TYR B 782		 TSN B2501 ( 4.4A)
TSN B2501 (-4.8A)
TSN B2501 (-3.8A)
TSN B2501 (-3.9A)
TSN B2501 ( 3.8A)
TSN B2501 (-3.7A)
ZN B2502 (-2.2A)
ZN B2502 (-3.2A)
ZN B2502 ( 2.7A)
TSN B2501 ( 4.0A)
TSN B2501 (-4.2A)
 0.47A 4lxzA-5eduB:
43.8		 4lxzA-5eduB:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_A_SHHA407_1 5eef HDAC6

Danio rerio 		HIS A 82
PRO A 83
HIS A 192
HIS A 193
GLY A 201
PHE A 202
ASP A 230
HIS A 232
ASP A 323
GLY A 361
TYR A 363		 None
None
TSN A2002 (-3.9A)
TSN A2002 (-3.9A)
TSN A2002 ( 3.8A)
TSN A2002 (-3.9A)
ZN A2001 (-2.3A)
ZN A2001 (-3.1A)
ZN A2001 ( 2.7A)
TSN A2002 ( 3.8A)
TSN A2002 (-4.3A)
 0.55A 4lxzA-5eefA:
43.5		 4lxzA-5eefA:
26.96
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.
4LXZ_A_SHHA407_1 5g0h HDAC6

Danio rerio 		HIS A 463
PRO A 464
HIS A 573
HIS A 574
GLY A 582
PHE A 583
ASP A 612
HIS A 614
ASP A 705
GLY A 743
TYR A 745		 None
None
E1Z A1801 (-3.9A)
E1Z A1801 (-3.8A)
E1Z A1801 (-3.6A)
E1Z A1801 (-3.9A)
ZN A1804 (-2.1A)
ZN A1804 (-3.2A)
ZN A1804 ( 2.5A)
ZN A1804 ( 4.2A)
E1Z A1801 (-4.4A)
 0.48A 4lxzA-5g0hA:
43.7		 4lxzA-5g0hA:
17.60
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.
4LXZ_A_SHHA407_1 5g10 HDAH

Pseudomonas
aeruginosa 		HIS A 39
ASP A 101
HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
ASP A 269
GLY A 311
TYR A 313		 None
6DK A1375 (-3.0A)
6DK A1375 (-4.1A)
6DK A1375 (-3.9A)
6DK A1375 (-3.9A)
6DK A1375 ( 4.0A)
ZN A1372 (-2.0A)
ZN A1372 (-3.2A)
ZN A1372 ( 2.5A)
6DK A1375 (-3.3A)
6DK A1375 (-4.4A)
 0.58A 4lxzA-5g10A:
44.6		 4lxzA-5g10A:
23.76
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.
4LXZ_B_SHHB408_1 5ji5 BUPHA.10154.A.B1

Paraburkholderia
phymatum 		HIS A 20
PRO A 21
ASP A 83
HIS A 125
HIS A 126
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 ( 3.8A)
ZN A 401 ( 2.2A)
ZN A 401 (-3.1A)
ZN A 401 (-2.5A)
ZN A 401 ( 4.2A)
None
 0.63A 4lxzB-5ji5A:
39.8		 4lxzB-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.
4LXZ_C_SHHC406_1 3c10 HISTONE
DEACETYLASE 7A

Homo sapiens 		PRO A 542
ASP A 626
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
GLY A 841		 TSN A 301 ( 4.5A)
TSN A 301 ( 4.0A)
TSN A 301 (-3.9A)
TSN A 301 (-3.8A)
TSN A 301 ( 3.7A)
TSN A 301 (-3.9A)
ZN A 101 (-2.1A)
ZN A 101 (-3.1A)
TSN A 301 ( 4.0A)
ZN A 101 ( 2.5A)
TSN A 301 ( 3.9A)
 0.49A 4lxzC-3c10A:
42.1		 4lxzC-3c10A:
25.17
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.
4LXZ_C_SHHC406_1 5edu MALTOSE-BINDING
PERIPLASMIC
PROTEIN, HISTONE
DEACETYLASE 6
CHIMERA

Escherichia coli;
Homo sapiens 		PRO B 501
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
GLY B 780
TYR B 782		 TSN B2501 (-4.8A)
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 ( 4.0A)
TSN B2501 (-4.2A)
 0.41A 4lxzC-5eduB:
43.7		 4lxzC-5eduB:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LXZ_C_SHHC406_1 5g0h HDAC6

Danio rerio 		PRO A 464
HIS A 573
HIS A 574
GLY A 582
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
GLY A 743
TYR A 745		 None
E1Z A1801 (-3.9A)
E1Z A1801 (-3.8A)
E1Z A1801 (-3.6A)
E1Z A1801 (-3.9A)
ZN A1804 (-2.1A)
ZN A1804 (-3.2A)
E1Z A1801 (-3.6A)
ZN A1804 ( 2.5A)
ZN A1804 ( 4.2A)
E1Z A1801 (-4.4A)
 0.39A 4lxzC-5g0hA:
43.8		 4lxzC-5g0hA:
17.60
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.
4LXZ_C_SHHC406_1 5g10 HDAH

Pseudomonas
aeruginosa 		ASP A 101
HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
GLY A 311
TYR A 313		 6DK A1375 (-3.0A)
6DK A1375 (-4.1A)
6DK A1375 (-3.9A)
6DK A1375 (-3.9A)
6DK A1375 ( 4.0A)
ZN A1372 (-2.0A)
ZN A1372 (-3.2A)
6DK A1375 ( 4.0A)
ZN A1372 ( 2.5A)
6DK A1375 (-3.3A)
6DK A1375 (-4.4A)
 0.55A 4lxzC-5g10A:
44.7		 4lxzC-5g10A:
23.76
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.
4LXZ_C_SHHC406_1 5ji5 BUPHA.10154.A.B1

Paraburkholderia
phymatum 		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
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 4lxzC-5ji5A:
39.8		 4lxzC-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.
4M2R_A_BZ1A302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		ASN A 110
GLN A 161
HIS A 163
HIS A 165
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270		 None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
None
None
None
ZN A 378 ( 4.5A)
None
None
None
 0.37A 4m2rA-3b1bA:
25.0		 4m2rA-3b1bA:
27.81
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.
4M2R_A_BZ1A302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		ASN A 90
GLN A 115
HIS A 117
HIS A 119
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212		 None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
None
None
None
ZN A 301 (-4.4A)
None
None
None
 0.39A 4m2rA-6ekiA:
30.0		 4m2rA-6ekiA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2R_A_BZ1A302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		ASN A 62
GLN A 92
HIS A 94
HIS A 96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 V14 A 302 (-3.4A)
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
None
 0.49A 4m2rA-6fe1A:
34.0		 4m2rA-6fe1A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2U_A_ETSA302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		TRP A 40
HIS A 112
GLN A 161
HIS A 163
HIS A 165
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.24A 4m2uA-3b1bA:
24.9		 4m2uA-3b1bA:
27.81
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.
4M2U_A_ETSA302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		TRP A 33
HIS A 92
GLN A 115
HIS A 117
HIS A 119
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212		 None
None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
None
None
None
ZN A 301 (-4.4A)
None
None
 0.44A 4m2uA-6ekiA:
30.0		 4m2uA-6ekiA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2U_A_ETSA302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		TRP A 5
HIS A 64
GLN A 92
HIS A 94
HIS A 96
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
TRP A 209		 None
None
V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.39A 4m2uA-6fe1A:
34.0		 4m2uA-6fe1A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2W_A_ETSA302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
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 (-3.2A)
None
None
None
None
ZN A 301 (-4.4A)
None
None
 0.24A 4m2wA-6ekiA:
30.0		 4m2wA-6ekiA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MKC_A_4MKA1503_1 3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

Homo sapiens 		LEU A 192
GLY A 195
VAL A 200
ALA A 213
LYS A 215
LEU A 263
LEU A 265
GLY A 269
ASP A 270
LEU A 318
ASP A 329		 AMP A 577 ( 4.3A)
AMP A 577 (-3.4A)
AMP A 577 (-4.3A)
AMP A 577 (-3.4A)
AMP A 577 (-2.8A)
AMP A 577 ( 4.7A)
AMP A 577 ( 4.9A)
None
AMP A 577 (-3.6A)
AMP A 577 (-4.8A)
AMP A 577 (-4.0A)
 0.60A 4mkcA-3nyoA:
23.2		 4mkcA-3nyoA:
21.26
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.
4MWX_A_ZMRA513_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 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 (-3.0A)
ZMR A 700 (-4.6A)
 0.58A 4mwxA-4cpnA:
54.1		 4mwxA-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.
4MWX_A_ZMRA513_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 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 (-4.5A)
 0.26A 4mwxA-6br6A:
64.6		 4mwxA-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.
4OLF_A_HFGA802_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		PHE A 307
VAL A 311
PRO A 330
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
TRP A 481
GLY A 482		 HFG A 801 (-3.7A)
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
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)
None
HFG A 801 (-3.9A)
 0.38A 4olfA-5xioA:
52.7		 4olfA-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.
4OLF_A_HFGA802_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		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
TRP A 509
GLY A 510		 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)
None
HFG A1003 ( 3.9A)
 0.33A 4olfA-5xipA:
51.4		 4olfA-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.
4OLF_A_HFGA802_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		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		 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)
 0.58A 4olfA-5xipA:
51.4		 4olfA-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.
4PFJ_A_ADNA502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.25A 4pfjA-6f3mB:
57.6		 4pfjA-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.
4PGF_A_ADNA502_1 6f3m -

- 		HIS B 61
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
ASN B 375
GLY B 381
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
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)
NAD B 501 (-3.0A)
ADN B 502 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.46A 4pgfA-6f3mB:
57.1		 4pgfA-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.
4Q15_A_HFGA803_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
PHE A 307
VAL A 311
PRO A 330
THR A 331
ARG A 362
TRP A 379
HIS A 383
PHE A 426
SER A 480
GLY A 482		 None
HFG A 801 (-3.7A)
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
HFG A 801 (-3.4A)
ANP A 803 ( 3.1A)
None
HFG A 801 ( 4.7A)
HFG A 801 (-3.7A)
HFG A 801 ( 3.8A)
HFG A 801 (-3.9A)
 0.38A 4q15A-5xioA:
49.3		 4q15A-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.
4UOV_A_AZMA299_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.28A 4uovA-3b1bA:
27.9		 4uovA-3b1bA:
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.
4UOV_A_AZMA299_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.24A 4uovA-6ekiA:
36.4		 4uovA-6ekiA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UOV_A_AZMA299_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.28A 4uovA-6fe1A:
29.9		 4uovA-6fe1A:
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.
4UOV_B_AZMB299_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.23A 4uovB-3b1bA:
28.0		 4uovB-3b1bA:
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.
4UOV_B_AZMB299_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.21A 4uovB-6ekiA:
36.6		 4uovB-6ekiA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UOV_B_AZMB299_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.29A 4uovB-6fe1A:
29.9		 4uovB-6fe1A:
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.
4UOV_C_AZMC299_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.28A 4uovC-3b1bA:
27.9		 4uovC-3b1bA:
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.
4UOV_C_AZMC299_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.24A 4uovC-6ekiA:
36.2		 4uovC-6ekiA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UOV_C_AZMC299_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.28A 4uovC-6fe1A:
29.9		 4uovC-6fe1A:
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.
4UOV_D_AZMD299_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.27A 4uovD-3b1bA:
28.0		 4uovD-3b1bA:
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.
4UOV_D_AZMD299_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.23A 4uovD-6ekiA:
36.4		 4uovD-6ekiA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UOV_D_AZMD299_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.28A 4uovD-6fe1A:
29.9		 4uovD-6fe1A:
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.
4UOV_E_AZME299_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.26A 4uovE-3b1bA:
27.9		 4uovE-3b1bA:
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.
4UOV_E_AZME299_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.23A 4uovE-6ekiA:
36.4		 4uovE-6ekiA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UOV_E_AZME299_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.27A 4uovE-6fe1A:
29.8		 4uovE-6fe1A:
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.
4UOV_F_AZMF299_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.26A 4uovF-3b1bA:
28.0		 4uovF-3b1bA:
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.
4UOV_F_AZMF299_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.22A 4uovF-6ekiA:
36.6		 4uovF-6ekiA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UOV_F_AZMF299_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.30A 4uovF-6fe1A:
29.9		 4uovF-6fe1A:
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.
4WA5_A_ZMRA501_1 6br6 NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
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 ( 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)
 0.44A 4wa5A-6br6A:
63.4		 4wa5A-6br6A:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_A_AZMA302_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.43A 4x5sA-1rj6A:
30.2		 4x5sA-1rj6A:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_A_AZMA302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.25A 4x5sA-3b1bA:
28.3		 4x5sA-3b1bA:
27.81
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.
4X5S_A_AZMA302_1 5cjf CARBONIC ANHYDRASE
14

Homo sapiens 		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
TRP A 209		 GOL A 303 (-3.2A)
ZN A 301 (-3.2A)
ZN A 301 ( 3.2A)
ZN A 301 ( 4.6A)
ZN A 301 ( 3.1A)
520 A 302 ( 4.9A)
520 A 302 ( 4.9A)
520 A 302 (-3.6A)
520 A 302 (-3.4A)
GOL A 303 ( 3.5A)
None
 0.25A 4x5sA-5cjfA:
29.9		 4x5sA-5cjfA:
28.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_A_AZMA302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.23A 4x5sA-6ekiA:
35.4		 4x5sA-6ekiA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_A_AZMA302_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.29A 4x5sA-6fe1A:
29.7		 4x5sA-6fe1A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_B_AZMB302_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.43A 4x5sB-1rj6A:
30.2		 4x5sB-1rj6A:
29.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_B_AZMB302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.25A 4x5sB-3b1bA:
28.3		 4x5sB-3b1bA:
27.81
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.
4X5S_B_AZMB302_1 5cjf CARBONIC ANHYDRASE
14

Homo sapiens 		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
TRP A 209		 GOL A 303 (-3.2A)
ZN A 301 (-3.2A)
ZN A 301 ( 3.2A)
ZN A 301 ( 4.6A)
ZN A 301 ( 3.1A)
520 A 302 ( 4.9A)
520 A 302 ( 4.9A)
520 A 302 (-3.6A)
520 A 302 (-3.4A)
GOL A 303 ( 3.5A)
None
 0.25A 4x5sB-5cjfA:
29.9		 4x5sB-5cjfA:
28.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_B_AZMB302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.23A 4x5sB-6ekiA:
35.3		 4x5sB-6ekiA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_B_AZMB302_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.28A 4x5sB-6fe1A:
29.7		 4x5sB-6fe1A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIA_A_SORA400_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
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
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)
 0.43A 4xiaA-1a0eA:
40.2		 4xiaA-1a0eA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIA_B_SORB400_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 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 491 ( 3.1A)
 0.44A 4xiaB-1a0cA:
38.5		 4xiaB-1a0cA:
27.13
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.
4XIA_B_SORB400_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 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 491 ( 3.1A)
 0.44A 4xiaB-1a0dA:
38.6		 4xiaB-1a0dA:
28.67
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.
4XIA_B_SORB400_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 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 491 ( 3.0A)
 0.37A 4xiaB-1a0eA:
40.1		 4xiaB-1a0eA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIA_B_SORB400_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 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 501 (-3.1A)
 0.46A 4xiaB-4xkmA:
38.8		 4xiaB-4xkmA:
26.72
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.
4XIA_B_SORB400_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 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 501 ( 3.2A)
 0.49A 4xiaB-5nhbA:
40.0		 4xiaB-5nhbA:
26.96
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.
4XIW_A_AZMA402_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.41A 4xiwA-1jd0A:
25.5
4xiwH-1jd0A:
25.5		 4xiwA-1jd0A:
29.71
4xiwH-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_A_AZMA402_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.39A 4xiwA-1rj6A:
26.3
4xiwH-1rj6A:
26.3		 4xiwA-1rj6A:
29.30
4xiwH-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_A_AZMA402_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.27A 4xiwA-3b1bA:
26.6
4xiwH-3b1bA:
26.4		 4xiwA-3b1bA:
25.52
4xiwH-3b1bA:
25.52
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.
4XIW_A_AZMA402_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.26A 4xiwA-6ekiA:
28.9
4xiwH-6ekiA:
28.7		 4xiwA-6ekiA:
16.90
4xiwH-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_A_AZMA402_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.42A 4xiwA-6fe1A:
26.6
4xiwH-6fe1A:
26.4		 4xiwA-6fe1A:
17.14
4xiwH-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.
4XIW_C_AZMC402_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.44A 4xiwC-1jd0A:
25.4		 4xiwC-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_C_AZMC402_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.43A 4xiwC-1rj6A:
26.2		 4xiwC-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_C_AZMC402_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.28A 4xiwC-3b1bA:
26.3		 4xiwC-3b1bA:
25.52
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.
4XIW_C_AZMC402_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.29A 4xiwC-6ekiA:
28.6		 4xiwC-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_C_AZMC402_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.43A 4xiwC-6fe1A:
26.5		 4xiwC-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.
4XIW_D_AZMD402_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.42A 4xiwD-1jd0A:
25.7		 4xiwD-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_D_AZMD402_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.44A 4xiwD-1rj6A:
26.6		 4xiwD-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_D_AZMD402_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.25A 4xiwD-3b1bA:
4.4		 4xiwD-3b1bA:
25.52
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.
4XIW_D_AZMD402_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.21A 4xiwD-6ekiA:
29.1		 4xiwD-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_D_AZMD402_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.39A 4xiwD-6fe1A:
26.6		 4xiwD-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.
4XIW_E_AZME402_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.41A 4xiwE-1jd0A:
25.6		 4xiwE-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_E_AZME402_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.40A 4xiwE-1rj6A:
26.6		 4xiwE-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_E_AZME402_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.23A 4xiwE-3b1bA:
26.6		 4xiwE-3b1bA:
25.52
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.
4XIW_E_AZME402_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.22A 4xiwE-6ekiA:
29.0		 4xiwE-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_E_AZME402_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.36A 4xiwE-6fe1A:
26.6		 4xiwE-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.
4XIW_F_AZMF402_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.40A 4xiwF-1jd0A:
25.4		 4xiwF-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_F_AZMF402_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.39A 4xiwF-1rj6A:
26.4		 4xiwF-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_F_AZMF402_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.23A 4xiwF-3b1bA:
26.3		 4xiwF-3b1bA:
25.52
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.
4XIW_F_AZMF402_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.21A 4xiwF-6ekiA:
28.8		 4xiwF-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_F_AZMF402_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.34A 4xiwF-6fe1A:
26.6		 4xiwF-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.
4XIW_G_AZMG402_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.37A 4xiwG-3b1bA:
26.2		 4xiwG-3b1bA:
25.52
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.
4XIW_H_AZMH402_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
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)
AZM A1400 ( 4.9A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
 0.43A 4xiwH-1jd0A:
25.5		 4xiwH-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_H_AZMH402_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
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
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
 0.45A 4xiwH-1rj6A:
26.3		 4xiwH-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_H_AZMH402_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.28A 4xiwH-3b1bA:
26.4		 4xiwH-3b1bA:
25.52
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.
4XIW_H_AZMH402_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.25A 4xiwH-6ekiA:
28.7		 4xiwH-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_H_AZMH402_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.38A 4xiwH-6fe1A:
26.4		 4xiwH-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 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
GLU A 489
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)
ANP A1001 ( 2.9A)
None
86X A1004 ( 4.8A)
86X A1004 (-3.6A)
86X A1004 (-3.6A)
86X A1004 ( 4.2A)
 0.29A 4ydqA-5xiiA:
53.3		 4ydqA-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.
4YDQ_A_HFGA802_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
GLU A 381
HIS A 383
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)
ANP A 803 ( 3.1A)
HFG A 801 ( 4.9A)
HFG A 801 ( 4.7A)
HFG A 801 (-3.7A)
HFG A 801 ( 3.8A)
HFG A 801 (-3.9A)
 0.51A 4ydqA-5xioA:
50.6		 4ydqA-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.
4YDQ_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
GLU A 489
HIS A 491
PHE A 534
SER A 588
GLY A 590		 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)
 0.46A 4ydqB-5xiiA:
52.8		 4ydqB-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.
4YDQ_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
GLU A 381
HIS A 383
PHE A 426
SER A 480
GLY A 482		 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)
HFG A 801 ( 4.9A)
HFG A 801 ( 4.7A)
HFG A 801 (-3.7A)
HFG A 801 ( 3.8A)
HFG A 801 (-3.9A)
 0.53A 4ydqB-5xioA:
50.9		 4ydqB-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.
4YDQ_B_HFGB802_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		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
SER A 508
GLY A 510		 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)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.62A 4ydqB-5xipA:
51.8		 4ydqB-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.
4YDQ_B_HFGB802_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
GLU A 409
HIS A 411
PHE A 454
SER A 508
GLY A 510		 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 ( 4.8A)
HFG A1003 ( 4.7A)
HFG A1003 (-3.4A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.63A 4ydqB-5xipA:
51.8		 4ydqB-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.
5AXA_A_ADNA502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.21A 5axaA-6f3mB:
57.1		 5axaA-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.
5AXA_C_ADNC502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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 5axaC-6f3mB:
57.0		 5axaC-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.
5AXD_A_RBVA502_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		 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)
 0.23A 5axdA-6f3mB:
57.1		 5axdA-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.
5AXD_A_RBVA502_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		 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)
 0.19A 5axdA-6gbnA:
63.6		 5axdA-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.
5AXD_C_RBVC502_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		 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)
 0.21A 5axdC-6f3mB:
57.1		 5axdC-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.
5AXD_C_RBVC502_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		 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)
 0.16A 5axdC-6gbnA:
63.6		 5axdC-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.
5C8I_A_MZMA302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
None
None
None
ZN A 378 ( 4.5A)
None
None
None
 0.39A 5c8iA-3b1bA:
24.9		 5c8iA-3b1bA:
25.45
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.
5C8I_A_MZMA302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
PRO A 205
TRP A 212		 None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 ( 4.7A)
None
None
None
ZN A 301 (-4.4A)
None
None
None
 0.32A 5c8iA-6ekiA:
30.0		 5c8iA-6ekiA:
16.60
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.
5C8I_A_MZMA302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
GLU A 106
VAL A 121
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 V14 A 302 (-3.8A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
V14 A 302 (-4.2A)
V14 A 302 (-4.7A)
None
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
None
 0.37A 5c8iA-6fe1A:
34.0		 5c8iA-6fe1A:
14.90
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.
5CG5_A_RISA400_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
THR A 211
GLN A 215
LYS A 244
THR A 245
TYR A 248
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
None
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
None
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.25A 5cg5A-6b07A:
45.9		 5cg5A-6b07A:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DGR_B_GCSB602_1 6gdt -

- 		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
 0.27A 5dgrB-6gdtA:
61.4		 5dgrB-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.
5E9Q_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
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 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.64A 5e9qA-5njuA:
40.2		 5e9qA-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.
5EC8_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
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 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.51A 5ec8A-5njuA:
40.3		 5ec8A-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.
5EC8_C_SAMC4000_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
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
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.34A 5ec8C-5njuA:
40.0		 5ec8C-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.
5EEI_A_SHHA2004_1 1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

Aquifex aeolicus 		PRO A 22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297		 TSN A 502 (-4.4A)
TSN A 502 (-4.0A)
TSN A 502 (-3.9A)
TSN A 502 ( 3.9A)
TSN A 502 (-3.7A)
ZN A 501 ( 2.3A)
ZN A 501 ( 3.1A)
TSN A 502 ( 3.9A)
ZN A 501 ( 2.5A)
TSN A 502 (-4.0A)
TSN A 502 (-4.3A)
 0.45A 5eeiA-1c3rA:
40.7		 5eeiA-1c3rA:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 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 3max HISTONE
DEACETYLASE 2

Homo sapiens 		PRO A 34
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308		 None
LLX A 400 (-4.0A)
LLX A 400 (-3.8A)
LLX A 400 (-3.6A)
LLX A 400 (-4.1A)
ZN A 379 (-2.3A)
ZN A 379 (-3.2A)
LLX A 400 (-3.6A)
ZN A 379 ( 2.5A)
LLX A 400 (-4.3A)
LLX A 400 (-4.4A)
 0.50A 5eeiA-3maxA:
43.4		 5eeiA-3maxA:
28.07
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.
5EEI_A_SHHA2004_1 4a69 HISTONE
DEACETYLASE 3,

Homo sapiens 		PRO A 23
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298		 None
ACT A 501 (-4.0A)
ACT A 501 (-3.7A)
None
None
ZN A 500 (-2.2A)
ZN A 500 (-3.1A)
None
ZN A 500 ( 2.4A)
None
ACT A 501 (-4.7A)
 0.44A 5eeiA-4a69A:
42.8		 5eeiA-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 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 4bkx HISTONE
DEACETYLASE 1

Homo sapiens 		PRO B 29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303		 None
ACT B 601 (-3.7A)
ACT B 601 (-3.8A)
None
None
ZN B 600 (-2.2A)
ZN B 600 (-3.3A)
None
ZN B 600 ( 2.5A)
None
ACT B 601 ( 4.7A)
 0.45A 5eeiA-4bkxB:
42.9		 5eeiA-4bkxB:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEI_B_SHHB801_1 1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

Aquifex aeolicus 		PRO A 22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297		 TSN A 502 (-4.4A)
TSN A 502 (-4.0A)
TSN A 502 (-3.9A)
TSN A 502 ( 3.9A)
TSN A 502 (-3.7A)
ZN A 501 ( 2.3A)
ZN A 501 ( 3.1A)
TSN A 502 ( 3.9A)
ZN A 501 ( 2.5A)
TSN A 502 (-4.0A)
TSN A 502 (-4.3A)
 0.46A 5eeiB-1c3rA:
41.0		 5eeiB-1c3rA:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 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 3max HISTONE
DEACETYLASE 2

Homo sapiens 		PRO A 34
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308		 None
LLX A 400 (-4.0A)
LLX A 400 (-3.8A)
LLX A 400 (-3.6A)
LLX A 400 (-4.1A)
ZN A 379 (-2.3A)
ZN A 379 (-3.2A)
LLX A 400 (-3.6A)
ZN A 379 ( 2.5A)
LLX A 400 (-4.3A)
LLX A 400 (-4.4A)
 0.48A 5eeiB-3maxA:
43.5		 5eeiB-3maxA:
28.07
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.
5EEI_B_SHHB801_1 4a69 HISTONE
DEACETYLASE 3,

Homo sapiens 		PRO A 23
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298		 None
ACT A 501 (-4.0A)
ACT A 501 (-3.7A)
None
None
ZN A 500 (-2.2A)
ZN A 500 (-3.1A)
None
ZN A 500 ( 2.4A)
None
ACT A 501 (-4.7A)
 0.43A 5eeiB-4a69A:
42.9		 5eeiB-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 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 4bkx HISTONE
DEACETYLASE 1

Homo sapiens 		PRO B 29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303		 None
ACT B 601 (-3.7A)
ACT B 601 (-3.8A)
None
None
ZN B 600 (-2.2A)
ZN B 600 (-3.3A)
None
ZN B 600 ( 2.5A)
None
ACT B 601 ( 4.7A)
 0.44A 5eeiB-4bkxB:
42.9		 5eeiB-4bkxB:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1 1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

Aquifex aeolicus 		HIS A 21
PRO A 22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
GLY A 295
TYR A 297		 None
TSN A 502 (-4.4A)
TSN A 502 (-4.0A)
TSN A 502 (-3.9A)
TSN A 502 (-3.7A)
ZN A 501 ( 2.3A)
ZN A 501 ( 3.1A)
TSN A 502 ( 3.9A)
ZN A 501 ( 2.5A)
ZN A 501 ( 4.1A)
TSN A 502 (-4.3A)
 0.60A 5eenA-1c3rA:
41.2		 5eenA-1c3rA:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 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 3max HISTONE
DEACETYLASE 2

Homo sapiens 		HIS A 33
PRO A 34
HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
GLY A 306
TYR A 308		 None
None
LLX A 400 (-4.0A)
LLX A 400 (-3.8A)
LLX A 400 (-4.1A)
ZN A 379 (-2.3A)
ZN A 379 (-3.2A)
LLX A 400 (-3.6A)
ZN A 379 ( 2.5A)
LLX A 400 (-3.7A)
LLX A 400 (-4.4A)
 0.47A 5eenA-3maxA:
43.7		 5eenA-3maxA:
28.07
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.
5EEN_A_5OGA804_1 4a69 HISTONE
DEACETYLASE 3,

Homo sapiens 		HIS A 22
PRO A 23
HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
GLY A 296
TYR A 298		 None
None
ACT A 501 (-4.0A)
ACT A 501 (-3.7A)
None
ZN A 500 (-2.2A)
ZN A 500 (-3.1A)
None
ZN A 500 ( 2.4A)
ACT A 501 (-3.0A)
ACT A 501 (-4.7A)
 0.52A 5eenA-4a69A:
43.0		 5eenA-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 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 4bkx HISTONE
DEACETYLASE 1

Homo sapiens 		HIS B 28
PRO B 29
HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
GLY B 301
TYR B 303		 None
None
ACT B 601 (-3.7A)
ACT B 601 (-3.8A)
None
ZN B 600 (-2.2A)
ZN B 600 (-3.3A)
None
ZN B 600 ( 2.5A)
ACT B 601 (-3.4A)
ACT B 601 ( 4.7A)
 0.48A 5eenA-4bkxB:
43.2		 5eenA-4bkxB:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1 1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

Aquifex aeolicus 		HIS A 21
PRO A 22
HIS A 131
HIS A 132
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297		 None
TSN A 502 (-4.4A)
TSN A 502 (-4.0A)
TSN A 502 (-3.9A)
TSN A 502 (-3.7A)
ZN A 501 ( 2.3A)
ZN A 501 ( 3.1A)
TSN A 502 ( 3.9A)
ZN A 501 ( 2.5A)
TSN A 502 (-4.0A)
TSN A 502 (-4.3A)
 0.63A 5eenB-1c3rA:
40.9		 5eenB-1c3rA:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 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 3max HISTONE
DEACETYLASE 2

Homo sapiens 		HIS A 33
PRO A 34
HIS A 145
HIS A 146
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308		 None
None
LLX A 400 (-4.0A)
LLX A 400 (-3.8A)
LLX A 400 (-4.1A)
ZN A 379 (-2.3A)
ZN A 379 (-3.2A)
LLX A 400 (-3.6A)
ZN A 379 ( 2.5A)
LLX A 400 (-4.3A)
LLX A 400 (-4.4A)
 0.48A 5eenB-3maxA:
43.8		 5eenB-3maxA:
28.07
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.
5EEN_B_5OGB804_1 4a69 HISTONE
DEACETYLASE 3,

Homo sapiens 		HIS A 22
PRO A 23
HIS A 134
HIS A 135
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298		 None
None
ACT A 501 (-4.0A)
ACT A 501 (-3.7A)
None
ZN A 500 (-2.2A)
ZN A 500 (-3.1A)
None
ZN A 500 ( 2.4A)
None
ACT A 501 (-4.7A)
 0.52A 5eenB-4a69A:
43.1		 5eenB-4a69A:
26.04
Potential target for repurposing, i.e. matched protein structure has less than 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 4bkx HISTONE
DEACETYLASE 1

Homo sapiens 		HIS B 28
PRO B 29
HIS B 140
HIS B 141
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303		 None
None
ACT B 601 (-3.7A)
ACT B 601 (-3.8A)
None
ZN B 600 (-2.2A)
ZN B 600 (-3.3A)
None
ZN B 600 ( 2.5A)
None
ACT B 601 ( 4.7A)
 0.50A 5eenB-4bkxB:
43.2		 5eenB-4bkxB:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHG_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
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 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.60A 5ehgA-5njuA:
40.1		 5ehgA-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.
5EHI_C_SAMC4000_0 3gcz POLYPROTEIN

Yokose virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAM A4633 (-3.5A)
SAM A4633 (-3.4A)
SAM A4633 (-3.4A)
SAM A4633 (-3.2A)
SAM A4633 (-3.6A)
SAM A4633 (-4.5A)
None
SAM A4633 (-3.7A)
SAM A4633 (-3.6A)
SAM A4633 (-3.7A)
SAM A4633 ( 4.2A)
 0.36A 5ehiC-3gczA:
40.7		 5ehiC-3gczA:
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.
5EHI_C_SAMC4000_0 5ikm NS5 METHYL
TRANSFERASE

Dengue virus 		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 311 (-3.3A)
SAM A 311 (-3.2A)
SAM A 311 (-3.3A)
SAM A 311 (-3.3A)
SAM A 311 (-3.5A)
SAM A 311 (-4.5A)
MLT A 313 ( 3.0A)
MLT A 313 ( 2.6A)
SAM A 311 (-3.7A)
SAM A 311 (-3.8A)
SAM A 311 ( 4.3A)
 0.33A 5ehiC-5ikmA:
42.9		 5ehiC-5ikmA:
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.
5EHI_C_SAMC4000_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
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
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.28A 5ehiC-5njuA:
39.9		 5ehiC-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.
5EHI_C_SAMC4000_0 5tmh POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
GLU A 111
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.2A)
SAH A1001 (-3.4A)
SAH A1001 ( 3.8A)
SAH A1001 (-3.6A)
SAH A1001 (-3.5A)
SAH A1001 ( 4.9A)
None
SAH A1001 (-4.0A)
SAH A1001 (-4.0A)
SAH A1001 (-3.8A)
SAH A1001 ( 4.8A)
 0.44A 5ehiC-5tmhA:
40.3		 5ehiC-5tmhA:
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.
5EIF_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
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 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.57A 5eifA-5njuA:
40.4		 5eifA-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 3gcz POLYPROTEIN

Yokose virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAM A4633 (-2.7A)
SAM A4633 (-3.5A)
SAM A4633 (-3.4A)
SAM A4633 (-3.4A)
SAM A4633 (-3.2A)
SAM A4633 (-3.6A)
SAM A4633 (-4.5A)
SAM A4633 (-3.7A)
SAM A4633 (-3.6A)
SAM A4633 (-3.7A)
SAM A4633 ( 4.2A)
 0.40A 5ekxA-3gczA:
41.2		 5ekxA-3gczA:
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 3lkz NON-STRUCTURAL
PROTEIN 5

West Nile virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SFG A 301 (-2.6A)
SFG A 301 (-2.9A)
SFG A 301 (-3.5A)
SFG A 301 (-3.3A)
SFG A 301 (-3.4A)
SFG A 301 (-3.7A)
SFG A 301 ( 4.7A)
SFG A 301 (-3.1A)
SFG A 301 (-4.1A)
SFG A 301 (-3.8A)
SFG A 301 (-4.1A)
 0.37A 5ekxA-3lkzA:
41.2		 5ekxA-3lkzA:
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 3lkz NON-STRUCTURAL
PROTEIN 5

West Nile 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
VAL A 132
ASP A 146
ILE A 147		 SFG A 301 (-2.6A)
SFG A 301 (-2.9A)
SFG A 301 (-3.5A)
SFG A 301 (-3.3A)
SFG A 301 (-3.4A)
SFG A 301 (-3.7A)
SFG A 301 ( 4.7A)
None
SFG A 301 (-4.1A)
SFG A 301 (-3.8A)
SFG A 301 (-4.1A)
 0.40A 5ekxA-3lkzA:
41.2		 5ekxA-3lkzA:
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 4k6m POLYPROTEIN

Japanese
encephalitis
virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
THR A 104
LYS A 105
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-2.8A)
SAH A1001 (-3.1A)
SAH A1001 (-3.3A)
SAH A1001 ( 3.7A)
SAH A1001 (-3.2A)
SAH A1001 (-4.7A)
None
SAH A1001 (-3.7A)
SAH A1001 (-3.7A)
SAH A1001 (-3.6A)
SAH A1001 ( 4.3A)
 0.45A 5ekxA-4k6mA:
41.1		 5ekxA-4k6mA:
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 5ikm NS5 METHYL
TRANSFERASE

Dengue virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAM A 311 ( 2.7A)
SAM A 311 (-3.3A)
SAM A 311 (-3.2A)
SAM A 311 (-3.3A)
SAM A 311 (-3.3A)
SAM A 311 (-3.5A)
SAM A 311 (-4.5A)
MLT A 313 ( 2.6A)
SAM A 311 (-3.7A)
SAM A 311 (-3.8A)
SAM A 311 ( 4.3A)
 0.22A 5ekxA-5ikmA:
42.9		 5ekxA-5ikmA:
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 5ikm NS5 METHYL
TRANSFERASE

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		 SAM A 311 ( 2.7A)
SAM A 311 (-3.3A)
SAM A 311 (-3.2A)
SAM A 311 (-3.3A)
SAM A 311 (-3.3A)
SAM A 311 (-3.5A)
SAM A 311 (-4.5A)
MLT A 313 ( 3.0A)
MLT A 313 ( 2.6A)
SAM A 311 (-3.7A)
SAM A 311 (-3.8A)
 0.55A 5ekxA-5ikmA:
42.9		 5ekxA-5ikmA:
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 5tmh POLYPROTEIN

Zika virus 		SER A 56
GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-2.5A)
SAH A1001 (-3.2A)
SAH A1001 (-3.4A)
SAH A1001 ( 3.8A)
SAH A1001 (-3.6A)
SAH A1001 (-3.5A)
SAH A1001 ( 4.9A)
SAH A1001 (-4.0A)
SAH A1001 (-4.0A)
SAH A1001 (-3.8A)
SAH A1001 ( 4.8A)
 0.33A 5ekxA-5tmhA:
40.2		 5ekxA-5tmhA:
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_B_SAMB4000_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
HIS A 110
GLU A 111
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)
SAH A1001 (-4.0A)
None
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.27A 5ekxB-5njuA:
40.6		 5ekxB-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_B_SAMB4000_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
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 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.44A 5ekxB-5njuA:
40.6		 5ekxB-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.
5HM8_A_ADNA501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.24A 5hm8A-6f3mB:
49.3		 5hm8A-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.
5HM8_B_ADNB501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.24A 5hm8B-6f3mB:
49.3		 5hm8B-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.
5HM8_C_ADNC501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.24A 5hm8C-6f3mB:
49.9		 5hm8C-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.
5HM8_D_ADND501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.24A 5hm8D-6f3mB:
49.4		 5hm8D-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.
5HM8_E_ADNE501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.25A 5hm8E-6f3mB:
49.7		 5hm8E-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.
5HM8_F_ADNF501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.24A 5hm8F-6f3mB:
49.4		 5hm8F-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.
5HM8_G_ADNG501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.24A 5hm8G-6f3mB:
49.2		 5hm8G-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.
5HM8_H_ADNH501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
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 (-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)
 0.24A 5hm8H-6f3mB:
49.9		 5hm8H-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.
5IEF_A_NBVA1005_1 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		TRP A 327
ASP A 355
ILE A 356
ILE A 392
TRP A 470
ASP A 472
MET A 473
PHE A 479
ASP A 571
PHE A 604
HIS A 629		 TRS A6001 ( 3.8A)
TRS A6001 (-2.9A)
TRS A6001 ( 4.0A)
None
None
TRS A6001 (-3.2A)
TRS A6001 ( 3.7A)
None
TRS A6001 ( 3.7A)
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.46A 5iefA-3lppA:
42.7		 5iefA-3lppA:
29.16
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.
5IEF_A_NBVA1005_1 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 467
ASP A 469
MET A 470
PHE A 476
ASP A 568
PHE A 601
HIS A 626		 ACR A1001 (-4.1A)
ACR A1001 (-3.0A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
None
ACR A1001 (-3.2A)
ACR A1001 (-3.3A)
None
ACR A1001 (-2.7A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.45A 5iefA-3welA:
41.2		 5iefA-3welA:
29.60
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.
5IKM_A_SAMA311_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
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)
SAH A1001 (-4.0A)
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.44A 5ikmA-5njuA:
40.0		 5ikmA-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.
5IKM_A_SAMA311_0 5tmh POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.2A)
SAH A1001 (-3.4A)
SAH A1001 ( 3.8A)
SAH A1001 (-3.6A)
SAH A1001 (-3.5A)
SAH A1001 ( 4.9A)
SAH A1001 (-3.6A)
SAH A1001 (-4.0A)
SAH A1001 (-4.0A)
SAH A1001 (-3.8A)
SAH A1001 ( 4.8A)
 0.32A 5ikmA-5tmhA:
40.1		 5ikmA-5tmhA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JN8_B_AZMB701_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227		 None
ZN A 283 ( 3.2A)
ZN A 283 (-3.2A)
ZN A 283 ( 4.5A)
ZN A 283 ( 3.1A)
ACY A 279 ( 4.7A)
None
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.36A 5jn8B-1y7wA:
23.6		 5jn8B-1y7wA:
28.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JN8_B_AZMB701_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.34A 5jn8B-3b1bA:
23.9		 5jn8B-3b1bA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JN8_B_AZMB701_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
GLU A 95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184		 AZM A 302 (-4.4A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
AZM A 302 ( 4.6A)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.33A 5jn8B-4g7aA:
28.2		 5jn8B-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.
5JN8_B_AZMB701_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.37A 5jn8B-6ekiA:
27.0		 5jn8B-6ekiA:
16.53
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.
5JN8_B_AZMB701_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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.33A 5jn8B-6fe1A:
32.8		 5jn8B-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_A_TORA302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		ASN A 110
GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261		 None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
 0.46A 5jnaA-3b1bA:
24.1		 5jnaA-3b1bA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNA_A_TORA302_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		ASN A 62
GLN A 87
HIS A 89
HIS A 91
GLU A 95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175		 None
AZM A 302 (-4.4A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
AZM A 302 ( 4.6A)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
 0.46A 5jnaA-4g7aA:
27.8		 5jnaA-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.
5JNA_A_TORA302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		ASN A 90
GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203		 None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 ( 4.7A)
ZN A 301 (-3.2A)
None
None
None
ZN A 301 (-4.4A)
None
 0.52A 5jnaA-6ekiA:
26.6		 5jnaA-6ekiA:
16.53
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.
5JNA_B_TORB302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		ASN A 110
GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.46A 5jnaB-3b1bA:
23.9		 5jnaB-3b1bA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNA_B_TORB302_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
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)
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.45A 5jnaB-4g7aA:
28.2		 5jnaB-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.
5JNA_B_TORB302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		ASN A 90
GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212		 None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 (-3.2A)
None
None
None
ZN A 301 (-4.4A)
None
None
 0.52A 5jnaB-6ekiA:
27.0		 5jnaB-6ekiA:
16.53
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.
5JNA_C_TORC302_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		 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)
 0.46A 5jnaC-6fe1A:
32.3		 5jnaC-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 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		ASN A 110
GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.44A 5jnaD-3b1bA:
24.1		 5jnaD-3b1bA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNA_D_TORD302_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
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)
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.42A 5jnaD-4g7aA:
27.5		 5jnaD-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.
5JNA_D_TORD302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		ASN A 90
GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
VAL A 148
LEU A 201
THR A 202
THR A 203
TRP A 212		 None
None
ZN A 301 (-3.3A)
ZN A 301 (-3.3A)
ZN A 301 (-3.2A)
None
None
None
ZN A 301 (-4.4A)
None
None
 0.50A 5jnaD-6ekiA:
26.3		 5jnaD-6ekiA:
16.53
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.
5JNC_A_6LHA302_0 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
GLU A 122
HIS A 135
VAL A 137
VAL A 153
LEU A 216
THR A 217
THR A 218
TRP A 227		 None
ZN A 283 ( 3.2A)
ZN A 283 (-3.2A)
ZN A 283 ( 4.5A)
ZN A 283 ( 3.1A)
ACY A 279 ( 4.7A)
None
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.39A 5jncA-1y7wA:
23.4		 5jncA-1y7wA:
28.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNC_A_6LHA302_0 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
GLU A 169
HIS A 182
VAL A 184
VAL A 201
LEU A 259
THR A 260
THR A 261
TRP A 270		 None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
ZN A 378 ( 4.5A)
ZN A 378 (-3.1A)
None
None
None
ZN A 378 ( 4.5A)
None
None
 0.36A 5jncA-3b1bA:
24.1		 5jncA-3b1bA:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNC_A_6LHA302_0 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
GLU A 95
HIS A 108
VAL A 110
VAL A 120
LEU A 173
THR A 174
THR A 175
TRP A 184		 AZM A 302 (-4.4A)
ZN A 301 ( 3.2A)
ZN A 301 ( 3.2A)
AZM A 302 ( 4.6A)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 ( 4.8A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.35A 5jncA-4g7aA:
27.8		 5jncA-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.
5JNC_A_6LHA302_0 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
GLU A 123
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.37A 5jncA-6ekiA:
26.6		 5jncA-6ekiA:
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.
5JNC_A_6LHA302_0 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		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
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
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.34A 5jncA-6fe1A:
32.4		 5jncA-6fe1A:
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.
5KQR_A_SAMA301_0 5jjr GENOME POLYPROTEIN

Dengue virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
HIS A 110
GLU A 111
ASP A 131
VAL A 132
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 (-3.7A)
SAH A1003 (-3.3A)
SAH A1003 (-3.0A)
SAH A1003 (-3.7A)
SAH A1003 ( 4.3A)
 0.41A 5kqrA-5jjrA:
41.0		 5kqrA-5jjrA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQS_A_SAMA307_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
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)
SAH A1001 (-4.0A)
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.27A 5kqsA-5njuA:
43.2		 5kqsA-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.
5M24_A_9CRA501_1 6fx0 RETINOIC ACID
RECEPTOR GAMMA

Homo sapiens 		TRP A 227
PHE A 230
ALA A 234
LEU A 271
ILE A 275
ARG A 278
SER A 289
PHE A 304
GLY A 393
LEU A 400
ILE A 412		 None
E9T A 501 (-4.3A)
E9T A 501 (-3.7A)
E9T A 501 (-3.6A)
E9T A 501 (-3.8A)
E9T A 501 (-3.1A)
E9T A 501 (-2.6A)
E9T A 501 (-4.2A)
E9T A 501 (-3.7A)
None
E9T A 501 ( 4.8A)
 0.54A 5m24A-6fx0A:
40.5		 5m24A-6fx0A:
17.80
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.
5M5B_A_SAMA1001_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
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 ( 4.3A)
 0.67A 5m5bA-5jjrA:
41.3		 5m5bA-5jjrA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5B_A_SAMA1001_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
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 (-4.2A)
 0.34A 5m5bA-5njuA:
42.9		 5m5bA-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.
5M5K_A_ADNA502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.21A 5m5kA-6f3mB:
53.1		 5m5kA-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.
5M5K_B_ADNB502_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
THR B 165
LYS B 194
ASP B 198
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 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.39A 5m5kB-6f3mB:
53.1		 5m5kB-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.
5M5K_C_ADNC502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.23A 5m5kC-6f3mB:
53.0		 5m5kC-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_A_ADNA502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.18A 5m66A-6f3mB:
53.4		 5m66A-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_B_ADNB502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.26A 5m66B-6f3mB:
53.7		 5m66B-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.
5MLM_A_STRA401_1 5mlh -

- 		LYS A 147
PHE A 153
ILE A 156
ASN A 205
MET A 215
ALA A 243
SER A 248
VAL A 347
ILE A 350
CYH A 352
PRO A 353		 XOG A 402 ( 2.7A)
XOG A 402 (-3.9A)
None
XOG A 402 (-2.8A)
XOG A 402 ( 4.2A)
XOG A 402 ( 4.2A)
XOG A 402 ( 4.6A)
XOG A 402 (-3.6A)
XOG A 402 (-4.8A)
XOG A 402 (-3.8A)
None
 0.55A 5mlmA-5mlhA:
62.8		 5mlmA-5mlhA:
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.
5MWY_A_YNUA1101_0 5mwp MINERALOCORTICOID
RECEPTOR

Homo sapiens 		LEU A 766
LEU A 769
ASN A 770
ALA A 773
TRP A 806
MET A 807
SER A 810
LEU A 814
MET A 845
MET A 852
LEU A 938		 ECV A1101 ( 3.9A)
ECV A1101 (-4.7A)
ECV A1101 (-3.1A)
ECV A1101 (-3.8A)
None
ECV A1101 (-3.6A)
ECV A1101 (-3.4A)
ECV A1101 (-4.1A)
ECV A1101 (-4.0A)
ECV A1101 (-3.7A)
ECV A1101 ( 4.3A)
 0.42A 5mwyA-5mwpA:
43.2		 5mwyA-5mwpA:
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.
5MWY_A_YNUA1101_0 5mwp MINERALOCORTICOID
RECEPTOR

Homo sapiens 		LEU A 766
LEU A 769
ASN A 770
ALA A 773
TRP A 806
MET A 807
SER A 811
LEU A 814
MET A 845
MET A 852
LEU A 938		 ECV A1101 ( 3.9A)
ECV A1101 (-4.7A)
ECV A1101 (-3.1A)
ECV A1101 (-3.8A)
None
ECV A1101 (-3.6A)
ECV A1101 (-3.0A)
ECV A1101 (-4.1A)
ECV A1101 (-4.0A)
ECV A1101 (-3.7A)
ECV A1101 ( 4.3A)
 0.42A 5mwyA-5mwpA:
43.2		 5mwyA-5mwpA:
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_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
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)
SAH A1001 (-4.0A)
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.34A 5njvA-5njuA:
43.5		 5njvA-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.
5NJV_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
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 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.53A 5njvA-5njuA:
43.5		 5njvA-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.
5NJV_D_SAMD301_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
TRP A 87
THR A 104
HIS A 110
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 (-3.5A)
SAH A1001 (-4.4A)
SAH A1001 (-4.0A)
None
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.40A 5njvD-5njuA:
42.7		 5njvD-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.
5UPD_A_SAMA1301_0 6cen HISTONE-LYSINE
N-METHYLTRANSFERAS
E NSD3

Homo sapiens 		ARG A1155
GLY A1156
TRP A1157
ASN A1198
TYR A1200
ASN A1223
HIS A1224
TYR A1261
CYH A1273
CYH A1275
LEU A1284		 None
SAM A1301 (-3.6A)
None
SAM A1301 (-3.8A)
SAM A1301 (-3.9A)
SAM A1301 (-3.2A)
None
SAM A1301 (-4.9A)
ZN A1304 ( 2.3A)
ZN A1304 (-2.3A)
SAM A1301 (-4.6A)
 0.42A 5updA-6cenA:
33.5		 5updA-6cenA:
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 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.30A 5utuF-6f3mB:
51.9		 5utuF-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.
5UTU_H_ADNH503_1 6gbn -

- 		LEU A 55
HIS A 56
THR A 58
ASP A 134
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 (-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 5utuH-6gbnA:
25.9		 5utuH-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.
5UVM_B_ADNB207_1 3o0m HIT FAMILY PROTEIN

Mycolicibacterium
smegmatis 		VAL A 4
PHE A 5
ILE A 8
ILE A 27
ASP A 29
ILE A 30
LEU A 39
THR A 94
VAL A 95
HIS A 99
HIS A 101		 AMP A 155 (-4.7A)
None
None
None
AMP A 155 (-2.7A)
AMP A 155 (-3.8A)
AMP A 155 (-4.8A)
AMP A 155 (-3.7A)
AMP A 155 (-4.5A)
AMP A 155 (-3.7A)
AMP A 155 (-3.8A)
 0.44A 5uvmB-3o0mA:
15.1		 5uvmB-3o0mA:
28.90
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.
5V96_A_ADNA502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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 5v96A-6f3mB:
52.8		 5v96A-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.
5V96_B_ADNB502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.19A 5v96B-6f3mB:
53.1		 5v96B-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.
5V96_C_ADNC502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.19A 5v96C-6f3mB:
53.2		 5v96C-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.
5V96_D_ADND502_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.21A 5v96D-6f3mB:
53.1		 5v96D-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.
5VLM_A_CVIA301_0 5vlg REGULATORY PROTEIN
TETR

[Enterobacter]
lignolyticus 		MET A 67
MET A 68
GLN A 71
ALA A 86
GLU A 90
LEU A 94
ILE A 98
TYR A 118
CYH A 160
ASP A 175
PHE A 178		 MGR A 300 (-4.6A)
None
MGR A 300 ( 4.1A)
None
MGR A 300 (-4.1A)
MGR A 300 ( 4.7A)
MGR A 300 (-3.1A)
None
MGR A 300 (-2.8A)
MGR A 300 ( 4.3A)
MGR A 300 (-3.1A)
 0.81A 5vlmA-5vlgA:
30.0		 5vlmA-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.
5VLM_E_CVIE301_0 5vlg REGULATORY PROTEIN
TETR

[Enterobacter]
lignolyticus 		MET A 67
MET A 68
ALA A 86
LEU A 94
ILE A 98
TRP A 101
ARG A 102
VAL A 159
CYH A 160
TYR A 166
PHE A 178		 MGR A 300 (-4.6A)
None
None
MGR A 300 ( 4.7A)
MGR A 300 (-3.1A)
MGR A 300 (-3.6A)
MGR A 300 (-4.3A)
MGR A 300 (-4.4A)
MGR A 300 (-2.8A)
MGR A 300 (-3.0A)
MGR A 300 (-3.1A)
 0.39A 5vlmE-5vlgA:
30.3		 5vlmE-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.
5VLM_H_CVIH301_0 5vlg REGULATORY PROTEIN
TETR

[Enterobacter]
lignolyticus 		MET A 67
ALA A 86
SER A 89
GLU A 90
LEU A 94
ARG A 102
TYR A 118
VAL A 159
CYH A 160
TYR A 166
PHE A 178		 MGR A 300 (-4.6A)
None
MGR A 300 ( 4.8A)
MGR A 300 (-4.1A)
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 (-3.1A)
 0.56A 5vlmH-5vlgA:
29.2		 5vlmH-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.
5VLM_H_CVIH301_0 5vlg REGULATORY PROTEIN
TETR

[Enterobacter]
lignolyticus 		MET A 67
MET A 68
ALA A 86
GLU A 90
LEU A 94
ARG A 102
TYR A 118
VAL A 159
CYH A 160
TYR A 166
PHE A 178		 MGR A 300 (-4.6A)
None
None
MGR A 300 (-4.1A)
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 (-3.1A)
 0.70A 5vlmH-5vlgA:
29.2		 5vlmH-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_E_C2FE3001_0 5vop 5-METHYLTETRAHYDRO
FOLATE
HOMOCYSTEINE
S-METHYLTRANSFERAS
E

Thermus
thermophilus 		GLU A 373
GLY A 379
LYS A 381
ASP A 411
MET A 441
VAL A 490
LEU A 492
GLY A 570
SER A 572
ARG A 583
ILE A 603		 C2F A3001 (-3.7A)
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 (-3.0A)
C2F A3001 (-3.5A)
 0.56A 5vooE-5vopA:
46.1		 5vooE-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.
5WZ2_A_SAMA601_0 4k6m POLYPROTEIN

Japanese
encephalitis
virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.1A)
SAH A1001 (-3.3A)
SAH A1001 ( 3.7A)
SAH A1001 (-3.2A)
SAH A1001 (-3.9A)
SAH A1001 (-4.7A)
SAH A1001 ( 3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-3.7A)
SAH A1001 (-3.6A)
SAH A1001 ( 4.3A)
 0.51A 5wz2A-4k6mA:
41.5		 5wz2A-4k6mA:
21.71
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.
5WZ2_A_SAMA601_0 5nju GENOME POLYPROTEIN

Zika virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
TRP A 87
THR A 104
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)
SAH A1001 (-4.0A)
SAH A1001 (-3.9A)
SAH A1001 (-3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-4.2A)
 0.38A 5wz2A-5njuA:
43.0		 5wz2A-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.
5WZ2_B_SAMB601_0 4k6m POLYPROTEIN

Japanese
encephalitis
virus 		GLY A 58
GLY A 81
GLY A 83
GLY A 86
THR A 104
LYS A 105
HIS A 110
ASP A 131
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.1A)
SAH A1001 (-3.3A)
SAH A1001 ( 3.7A)
SAH A1001 (-3.2A)
SAH A1001 (-4.7A)
None
SAH A1001 ( 3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-3.7A)
SAH A1001 (-3.6A)
SAH A1001 ( 4.3A)
 0.43A 5wz2B-4k6mA:
41.8		 5wz2B-4k6mA:
21.71
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.
5WZ2_C_SAMC601_0 4k6m POLYPROTEIN

Japanese
encephalitis
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
VAL A 132
ASP A 146
ILE A 147		 SAH A1001 (-3.1A)
SAH A1001 (-3.3A)
SAH A1001 ( 3.7A)
SAH A1001 (-3.2A)
SAH A1001 (-3.9A)
SAH A1001 (-4.7A)
None
SAH A1001 ( 3.6A)
SAH A1001 (-3.7A)
SAH A1001 (-3.6A)
SAH A1001 ( 4.3A)
 0.64A 5wz2C-4k6mA:
41.4		 5wz2C-4k6mA:
21.71
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.
5X6Y_A_SAMA902_0 5x6x MRNA CAPPING
ENZYME P5

Rice dwarf virus 		LEU C 269
GLY C 287
PRO C 290
ALA C 291
HIS C 293
LYS C 310
GLU C 333
PHE C 334
THR C 360
VAL C 362
PHE C 369		 None
 0.64A 5x6yA-5x6xC:
55.9		 5x6yA-5x6xC:
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.
5X6Y_A_SAMA902_0 5x6x MRNA CAPPING
ENZYME P5

Rice dwarf virus 		LEU C 269
GLY C 287
PRO C 290
ALA C 291
HIS C 293
PRO C 309
LYS C 310
GLU C 333
PHE C 334
THR C 360
PHE C 369		 None
 0.60A 5x6yA-5x6xC:
55.9		 5x6yA-5x6xC:
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.
5X6Y_C_SAMC902_0 5x6x MRNA CAPPING
ENZYME P5

Rice dwarf virus 		LEU C 269
TYR C 285
GLY C 287
PRO C 290
ALA C 291
HIS C 293
ASP C 308
PRO C 309
GLU C 333
PHE C 334
THR C 360		 None
 0.49A 5x6yC-5x6xC:
53.1		 5x6yC-5x6xC:
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.
5X6Y_C_SAMC902_0 5x6x MRNA CAPPING
ENZYME P5

Rice dwarf virus 		LEU C 269
TYR C 285
GLY C 287
PRO C 290
ALA C 291
HIS C 293
ASP C 308
PRO C 309
LYS C 310
PHE C 334
THR C 360		 None
 0.42A 5x6yC-5x6xC:
53.1		 5x6yC-5x6xC:
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_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
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 ( 2.5A)
CO A 492 ( 3.5A)
CO A 491 ( 3.1A)
CO A 492 ( 1.9A)
CO A 491 ( 3.1A)
 0.52A 5ximB-1a0cA:
38.7		 5ximB-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_B_SORB397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
HIS A 98
THR A 138
VAL A 183
TRP A 185
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 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)
 0.57A 5ximB-1a0dA:
38.8		 5ximB-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_B_SORB397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
HIS A 100
THR A 140
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
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 5ximB-1a0eA:
40.2		 5ximB-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_B_SORB397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
HIS A 103
THR A 143
VAL A 188
TRP A 190
LYS A 236
GLU A 270
HIS A 273
ASP A 298
ASP A 309
ASP A 341		 None
None
None
None
None
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)
 0.61A 5ximB-4xkmA:
39.0		 5ximB-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_B_SORB397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
HIS A 102
THR A 142
VAL A 187
TRP A 189
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 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)
 0.58A 5ximB-5nhbA:
40.4		 5ximB-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_D_SORD397_0 1a0c XYLOSE ISOMERASE

Thermoanaerobacte
rium
thermosulfurigene
s 		TRP A 48
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
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)
 0.48A 5ximD-1a0cA:
38.8		 5ximD-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_D_SORD397_0 1a0d XYLOSE ISOMERASE

Geobacillus
stearothermophilu
s 		TRP A 47
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
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 5ximD-1a0dA:
38.8		 5ximD-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_D_SORD397_0 1a0e XYLOSE ISOMERASE

Thermotoga
neapolitana 		TRP A 48
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
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)
 0.60A 5ximD-1a0eA:
40.3		 5ximD-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_D_SORD397_0 4xkm XYLOSE ISOMERASE

Bacteroides
thetaiotaomicron 		TRP A 51
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
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)
 0.55A 5ximD-4xkmA:
39.1		 5ximD-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_D_SORD397_0 5nhb XYLOSE ISOMERASE

Piromyces sp. E2 		TRP A 50
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
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)
 0.53A 5ximD-5nhbA:
40.4		 5ximD-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 5xii PROLYL-TRNA
SYNTHETASE (PRORS)

Toxoplasma gondii 		PHE A 415
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
GLY A 590		 86X A1004 (-3.6A)
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)
86X A1004 ( 4.2A)
 0.40A 5xioA-5xiiA:
51.7		 5xioA-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_A_HFGA801_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		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
GLY A 510		 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)
HFG A1003 ( 3.9A)
 0.59A 5xioA-5xipA:
51.3		 5xioA-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.
5XIO_A_HFGA801_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		PHE A 335
GLU A 338
VAL A 339
PRO A 358
ARG A 390
TRP A 407
GLU A 409
HIS A 411
THR A 478
SER A 508
GLY A 510		 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)
ANP A1001 ( 3.7A)
HFG A1003 ( 3.9A)
HFG A1003 ( 3.9A)
 0.82A 5xioA-5xipA:
51.3		 5xioA-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.
5XIO_B_HFGB802_0 5xip PROLYL-TRNA
SYNTHETASE,
PUTATIVE

Eimeria tenella 		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
HIS A 480		 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 (-3.5A)
 0.49A 5xioB-5xipA:
51.3		 5xioB-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_A_HFGA1003_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
GLU A 310
VAL A 311
PRO A 330
THR A 331
ARG A 362
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482		 None
None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
HFG A 801 (-3.4A)
ANP A 803 ( 3.1A)
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)
 0.57A 5xipA-5xioA:
50.3		 5xipA-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 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
HIS A 383
THR A 450
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)
HFG A 801 ( 4.7A)
ANP A 803 (-3.9A)
HFG A 801 ( 3.8A)
HFG A 801 (-3.9A)
 0.80A 5xipA-5xioA:
50.3		 5xipA-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_C_HFGC1003_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
VAL A 311
PRO A 330
THR A 331
GLU A 333
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
GLY A 482		 None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
HFG A 801 (-3.4A)
HFG A 801 (-3.0A)
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)
 0.31A 5xipC-5xioA:
50.6		 5xipC-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_D_HFGD1003_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
VAL A 311
PRO A 330
THR A 331
GLU A 333
ARG A 362
TRP A 379
GLU A 381
PHE A 426
THR A 450
TRP A 481		 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)
ANP A 803 (-3.9A)
None
 0.39A 5xipD-5xioA:
50.6		 5xipD-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_A_HFGA1002_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
TRP A 379
GLU A 381
PHE A 426
THR A 450
SER A 480
GLY A 482		 None
HFG A 801 (-3.7A)
None
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
None
HFG A 801 ( 4.9A)
HFG A 801 (-3.7A)
ANP A 803 (-3.9A)
HFG A 801 ( 3.8A)
HFG A 801 (-3.9A)
 0.59A 5xiqA-5xioA:
51.7		 5xiqA-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_A_HFGA1002_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
PHE A 307
VAL A 311
PRO A 330
TRP A 379
GLU A 381
HIS A 383
PHE A 426
THR A 450
SER A 480
GLY A 482		 None
HFG A 801 (-3.7A)
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
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)
 0.41A 5xiqA-5xioA:
51.7		 5xiqA-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_B_HFGB1002_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
PHE A 426
THR A 450
SER A 480		 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 (-3.7A)
ANP A 803 (-3.9A)
HFG A 801 ( 3.8A)
 0.55A 5xiqB-5xioA:
51.2		 5xiqB-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_B_HFGB1002_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
PHE A 307
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		 None
HFG A 801 (-3.7A)
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)
 0.37A 5xiqB-5xioA:
51.2		 5xiqB-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_C_HFGC1002_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		PHE A 307
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
SER A 480		 HFG A 801 (-3.7A)
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 ( 3.8A)
 0.39A 5xiqC-5xioA:
51.3		 5xiqC-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.
5Y2T_B_8LXB501_0 3b0q PEROXISOME
PROLIFERATOR-ACTIV
ATED RECEPTOR
GAMMA

Homo sapiens 		LEU A 255
ARG A 280
ILE A 281
CYH A 285
GLN A 286
ILE A 326
TYR A 327
LEU A 330
ILE A 341
MET A 348
HIS A 449		 None
None
MC5 A 1 ( 4.8A)
MC5 A 1 (-3.6A)
None
MC5 A 1 ( 4.9A)
None
MC5 A 1 (-4.4A)
MC5 A 1 (-4.5A)
MC5 A 1 ( 4.0A)
MC5 A 1 (-3.9A)
 0.61A 5y2tB-3b0qA:
36.8		 5y2tB-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.
5YK2_A_ERYA501_0 5yk2 PROBABLE CONSERVED
ATP-BINDING
PROTEIN ABC
TRANSPORTER

Mycobacterium
tuberculosis 		GLU A 196
GLU A 199
ARG A 200
GLY A 285
ASP A 286
ALA A 307
ALA A 309
PRO A 310
ILE A 407
ARG A 410
VAL A 411		 ERY A 501 (-2.9A)
ERY A 501 ( 4.0A)
None
ERY A 501 ( 3.7A)
ERY A 501 (-4.2A)
ERY A 501 (-3.8A)
ERY A 501 (-3.3A)
ERY A 501 ( 4.7A)
ERY A 501 (-4.1A)
ERY A 501 (-4.1A)
None
 0.06A 5yk2A-5yk2A:
57.7		 5yk2A-5yk2A:
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.
6A93_A_8NUA3001_0 6bqh 5-HYDROXYTRYPTAMIN
E RECEPTOR
2C,SOLUBLE
CYTOCHROME B562

Escherichia coli;
Homo sapiens 		SER A 110
TRP A 130
SER A 138
THR A 139
ILE A 142
PHE A 320
TRP A 324
PHE A 327
PHE A 328
LEU A 350
TYR A 358		 E2J A1201 ( 4.5A)
None
E2J A1201 (-3.2A)
E2J A1201 (-4.3A)
E2J A1201 (-3.5A)
E2J A1201 (-4.4A)
E2J A1201 ( 3.7A)
E2J A1201 (-4.6A)
E2J A1201 (-4.4A)
E2J A1201 ( 4.3A)
None
 0.49A 6a93A-6bqhA:
36.7		 6a93A-6bqhA:
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 1e43 ALPHA-AMYLASE

Bacillus
amyloliquefaciens 		TRP A 11
TYR A 54
HIS A 103
GLU A 189
TYR A 193
LEU A 196
MET A 197
ASP A 231
HIS A 235
HIS A 327
ASP A 328		 None
 0.65A 6ag0A-1e43A:
59.0		 6ag0A-1e43A:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0 1e43 ALPHA-AMYLASE

Bacillus
amyloliquefaciens 		TRP A 11
TYR A 54
HIS A 103
TYR A 193
LEU A 196
MET A 197
ASP A 231
LYS A 234
HIS A 235
HIS A 327
ASP A 328		 None
 0.26A 6ag0A-1e43A:
59.0		 6ag0A-1e43A:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0 1ud3 AMYLASE

Bacillus sp.
KSM-K38 		TRP A 13
TYR A 56
HIS A 105
GLU A 189
TYR A 193
LEU A 196
ASP A 231
LYS A 234
HIS A 235
HIS A 327
ASP A 328		 None
 0.33A 6ag0A-1ud3A:
63.5		 6ag0A-1ud3A:
11.88
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.
6AG0_C_ACRC608_0 1e43 ALPHA-AMYLASE

Bacillus
amyloliquefaciens 		TRP A 11
GLU A 189
TYR A 193
LEU A 196
MET A 197
ASP A 231
LYS A 234
HIS A 235
HIS A 327
ASP A 328
GLN A 333		 None
 0.79A 6ag0C-1e43A:
59.0		 6ag0C-1e43A:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
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 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.41A 6aphA-6f3mB:
58.1		 6aphA-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.
6B5Y_B_9F2B400_1 3w4q BETA-LACTAMASE

Burkholderia
multivorans 		CYH A 69
SER A 70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240		 None
 0.42A 6b5yB-3w4qA:
41.1		 6b5yB-3w4qA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1 4c6y BETA-LACTAMASE

synthetic
construct 		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		 None
PEG A 307 (-2.4A)
PEG A 307 (-2.4A)
PEG A 307 ( 4.3A)
PEG A 307 ( 4.3A)
PEG A 307 ( 3.6A)
PEG A 307 ( 3.4A)
PEG A 307 (-3.0A)
PEG A 307 (-2.7A)
PEG A 307 (-3.9A)
None
 0.37A 6b5yB-4c6yA:
40.3		 6b5yB-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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_D_9F2D400_1 5gl9 BETA-LACTAMASE

Burkholderia
thailandensis 		CYH A 69
SER A 70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240		 None
 0.42A 6b5yD-5gl9A:
41.2		 6b5yD-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.
6B68_B_9F2B301_1 5gl9 BETA-LACTAMASE

Burkholderia
thailandensis 		CYH A 69
SER A 70
SER A 130
ASN A 170
THR A 216
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240		 None
 0.32A 6b68B-5gl9A:
41.2		 6b68B-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.
6B69_D_9F2D301_1 4c6y BETA-LACTAMASE

synthetic
construct 		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		 None
PEG A 307 (-2.4A)
PEG A 307 (-2.4A)
PEG A 307 ( 4.3A)
PEG A 307 ( 4.3A)
PEG A 307 ( 3.6A)
PEG A 307 ( 3.4A)
PEG A 307 (-3.0A)
PEG A 307 (-2.7A)
PEG A 307 (-3.9A)
None
 0.31A 6b69D-4c6yA:
40.3		 6b69D-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_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		 None
 0.25A 6b69D-5gl9A:
40.9		 6b69D-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 3w4q BETA-LACTAMASE

Burkholderia
multivorans 		CYH A 69
SER A 70
SER A 130
ASN A 170
ARG A 220
LYS A 234
THR A 235
GLY A 236
THR A 237
GLY A 238
ASP A 240		 None
 0.36A 6b6aB-3w4qA:
41.3		 6b6aB-3w4qA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1 4c6y BETA-LACTAMASE

synthetic
construct 		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		 None
PEG A 307 (-2.4A)
PEG A 307 (-2.4A)
PEG A 307 ( 4.3A)
PEG A 307 ( 4.3A)
PEG A 307 ( 3.6A)
PEG A 307 ( 3.4A)
PEG A 307 (-3.0A)
PEG A 307 (-2.7A)
PEG A 307 (-3.9A)
None
 0.29A 6b6aB-4c6yA:
40.5		 6b6aB-4c6yA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 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 1jd0 CARBONIC ANHYDRASE
XII

Homo sapiens 		TRP A 5
ASN A 62
GLN A 92
HIS A 94
HIS A 96
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 None
None
AZM A1400 (-3.2A)
ZN A 901 ( 3.2A)
ZN A 901 ( 3.2A)
AZM A1400 (-4.6A)
AZM A1400 (-3.9A)
AZM A1400 (-3.6A)
AZM A1400 (-3.3A)
None
None
 0.51A 6bc9A-1jd0A:
36.7		 6bc9A-1jd0A:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 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 1kop CARBONIC ANHYDRASE

Neisseria
gonorrhoeae 		TRP A 7
ASN A 64
GLN A 90
HIS A 92
HIS A 94
VAL A 113
LEU A 176
THR A 177
THR A 178
PRO A 180
TRP A 187		 None
BME A 303 (-4.7A)
None
ZN A 301 ( 3.2A)
ZN A 301 ( 3.3A)
None
AZI A 305 (-4.2A)
AZI A 305 (-3.4A)
AZI A 305 ( 4.2A)
None
None
 0.49A 6bc9A-1kopA:
29.8		 6bc9A-1kopA:
21.16
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.
6BC9_A_ETSA302_1 1rj6 CARBONIC ANHYDRASE
XIV

Mus musculus 		TRP A 5
ASN A 62
GLN A 92
HIS A 94
HIS A 96
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 None
None
AZM A 400 (-4.3A)
ZN A 601 ( 3.3A)
ZN A 601 (-3.3A)
AZM A 400 (-4.8A)
AZM A 400 (-3.7A)
AZM A 400 (-3.6A)
AZM A 400 (-3.6A)
None
None
 0.66A 6bc9A-1rj6A:
37.1		 6bc9A-1rj6A:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 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 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		TRP A 40
ASN A 110
GLN A 161
HIS A 163
HIS A 165
VAL A 184
LEU A 259
THR A 260
THR A 261
PRO A 263
TRP A 270		 None
None
None
ZN A 378 (-3.2A)
ZN A 378 (-3.3A)
None
None
ZN A 378 ( 4.5A)
None
None
None
 0.44A 6bc9A-3b1bA:
25.0		 6bc9A-3b1bA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 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 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		TRP A 3
ASN A 62
GLN A 87
HIS A 89
HIS A 91
VAL A 110
LEU A 173
THR A 174
THR A 175
PRO A 177
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)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
None
 0.50A 6bc9A-4g7aA:
30.1		 6bc9A-4g7aA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 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 4x5s CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)

Sulfurihydrogenib
ium azorense 		TRP A 3
ASN A 62
GLN A 87
HIS A 89
HIS A 91
VAL A 110
LEU A 173
THR A 174
THR A 175
PRO A 177
TRP A 184		 None
None
AZM A 302 (-4.3A)
ZN A 301 ( 3.1A)
ZN A 301 ( 3.2A)
AZM A 302 (-4.8A)
AZM A 302 (-3.7A)
AZM A 302 (-3.3A)
AZM A 302 (-3.3A)
None
None
 0.50A 6bc9A-4x5sA:
30.0		 6bc9A-4x5sA:
19.90
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.
6BC9_A_ETSA302_1 4xz5 CARBONIC
ANHYDRASE, ALPHA
FAMILY

Hydrogenovibrio
crunogenus 		TRP A 78
ASN A 138
GLN A 163
HIS A 165
HIS A 167
VAL A 186
LEU A 251
THR A 252
THR A 253
PRO A 255
TRP A 262		 None
None
None
ZN A 401 ( 3.2A)
ZN A 401 ( 3.3A)
None
BCT A 402 (-3.8A)
BCT A 402 (-3.7A)
BCT A 402 ( 4.4A)
None
None
 0.45A 6bc9A-4xz5A:
29.8		 6bc9A-4xz5A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BC9_A_ETSA302_1 5cjf CARBONIC ANHYDRASE
14

Homo sapiens 		TRP A 5
ASN A 62
GLN A 92
HIS A 94
HIS A 96
VAL A 121
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 None
GOL A 303 (-3.9A)
GOL A 303 (-3.2A)
ZN A 301 (-3.2A)
ZN A 301 ( 3.2A)
520 A 302 ( 4.9A)
520 A 302 (-3.6A)
520 A 302 (-3.4A)
GOL A 303 ( 3.5A)
None
None
 0.46A 6bc9A-5cjfA:
36.8		 6bc9A-5cjfA:
24.52
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.
6BC9_A_ETSA302_1 5hpj CARBONIC ANHYDRASE

Photobacterium
profundum 		TRP A 15
ASN A 69
GLN A 94
HIS A 96
HIS A 98
VAL A 117
LEU A 181
THR A 182
THR A 183
PRO A 185
TRP A 192		 None
None
None
ZN A 301 (-3.2A)
ZN A 301 (-3.2A)
None
None
ZN A 301 ( 4.4A)
None
None
None
 0.55A 6bc9A-5hpjA:
29.4		 6bc9A-5hpjA:
20.78
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.
6BCC_A_EZLA302_1 3ml5 CARBONIC ANHYDRASE
7

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
VAL A 121
PHE A 131
VAL A 143
LEU A 198
THR A 199
THR A 200
PRO A 202
TRP A 209		 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 ( 4.9A)
AZM A 264 (-3.4A)
AZM A 264 (-3.4A)
AZM A 264 (-3.5A)
None
None
 0.29A 6bccA-3ml5A:
43.0		 6bccA-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.
6BSD_A_1N1A901_0 3kul EPHRIN TYPE-A
RECEPTOR 8

Homo sapiens 		VAL A 649
ALA A 665
LYS A 667
GLU A 684
MET A 688
ILE A 697
THR A 713
TYR A 715
MET A 716
GLY A 719
LEU A 767		 None
None
None
None
None
None
None
GOL A 403 (-4.1A)
None
GOL A 403 (-3.4A)
None
 0.84A 6bsdA-3kulA:
26.2		 6bsdA-3kulA:
12.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		ASP A 231
TRP A 327
ILE A 356
ILE A 392
TRP A 435
ASP A 472
MET A 473
ARG A 555
TRP A 568
PHE A 604
HIS A 629		 None
TRS A6001 ( 3.8A)
TRS A6001 ( 4.0A)
None
TRS A6001 ( 4.6A)
TRS A6001 (-3.2A)
TRS A6001 ( 3.7A)
TRS A6001 ( 4.6A)
None
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.35A 6c9xA-3lppA:
37.5		 6c9xA-3lppA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		ASP A 232
TRP A 329
ILE A 358
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
TRP A 565
PHE A 601
HIS A 626		 ACR A1001 (-2.7A)
ACR A1001 (-4.1A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
ACR A1001 ( 4.6A)
ACR A1001 (-3.2A)
ACR A1001 (-3.3A)
ACR A1001 (-3.0A)
ACR A1001 (-4.8A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.42A 6c9xA-3welA:
37.5		 6c9xA-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		ASP A 303
TRP A 415
ILE A 444
ILE A 480
TRP A 517
ASP A 556
MET A 557
ARG A 617
TRP A 630
PHE A 666
HIS A 691		 None
None
TRS A1001 ( 4.1A)
None
TRS A1001 ( 4.9A)
TRS A1001 (-3.2A)
TRS A1001 (-3.5A)
TRS A1001 (-4.0A)
None
TRS A1001 (-4.5A)
TRS A1001 (-4.0A)
 0.45A 6c9xA-5dkxA:
34.0		 6c9xA-5dkxA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		ASP A 305
TRP A 423
ILE A 452
ILE A 488
TRP A 525
ASP A 564
MET A 565
ARG A 624
TRP A 637
PHE A 673
HIS A 698		 None
5GF A1021 (-3.1A)
5GF A1021 (-3.6A)
None
5GF A1021 (-3.7A)
5GF A1021 (-2.1A)
5GF A1021 (-2.6A)
5GF A1021 (-3.4A)
5GF A1021 ( 4.6A)
5GF A1021 (-3.6A)
5GF A1021 (-4.0A)
 0.53A 6c9xA-5hjrA:
36.7		 6c9xA-5hjrA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		ASP A 231
TRP A 327
ILE A 356
ILE A 392
TRP A 435
ASP A 472
MET A 473
ARG A 555
TRP A 568
PHE A 604
HIS A 629		 None
TRS A6001 ( 3.8A)
TRS A6001 ( 4.0A)
None
TRS A6001 ( 4.6A)
TRS A6001 (-3.2A)
TRS A6001 ( 3.7A)
TRS A6001 ( 4.6A)
None
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.36A 6c9xB-3lppA:
37.7		 6c9xB-3lppA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		ASP A 232
TRP A 329
ILE A 358
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
TRP A 565
PHE A 601
HIS A 626		 ACR A1001 (-2.7A)
ACR A1001 (-4.1A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
ACR A1001 ( 4.6A)
ACR A1001 (-3.2A)
ACR A1001 (-3.3A)
ACR A1001 (-3.0A)
ACR A1001 (-4.8A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.43A 6c9xB-3welA:
42.3		 6c9xB-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		ASP A 303
TRP A 415
ILE A 444
ILE A 480
TRP A 517
ASP A 556
MET A 557
ARG A 617
TRP A 630
PHE A 666
HIS A 691		 None
None
TRS A1001 ( 4.1A)
None
TRS A1001 ( 4.9A)
TRS A1001 (-3.2A)
TRS A1001 (-3.5A)
TRS A1001 (-4.0A)
None
TRS A1001 (-4.5A)
TRS A1001 (-4.0A)
 0.46A 6c9xB-5dkxA:
39.9		 6c9xB-5dkxA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		ASP A 305
TRP A 423
ILE A 452
ILE A 488
TRP A 525
ASP A 564
MET A 565
ARG A 624
TRP A 637
PHE A 673
HIS A 698		 None
5GF A1021 (-3.1A)
5GF A1021 (-3.6A)
None
5GF A1021 (-3.7A)
5GF A1021 (-2.1A)
5GF A1021 (-2.6A)
5GF A1021 (-3.4A)
5GF A1021 ( 4.6A)
5GF A1021 (-3.6A)
5GF A1021 (-4.0A)
 0.54A 6c9xB-5hjrA:
36.6		 6c9xB-5hjrA:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0 2g3n ALPHA-GLUCOSIDASE

Sulfolobus
solfataricus 		TYR A 184
ILE A 213
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480		 BOG A2000 (-4.5A)
None
None
None
None
BOG A2000 ( 4.0A)
BOG A2000 (-3.1A)
None
BOG A2000 (-3.0A)
None
None
 0.59A 6c9zA-2g3nA:
41.5		 6c9zA-2g3nA:
27.86
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.
6C9Z_A_VOGA701_0 3ctt MALTASE-GLUCOAMYLA
SE

Homo sapiens 		TYR A 299
ILE A 328
ILE A 364
TRP A 406
ASP A 443
MET A 444
ARG A 526
TRP A 539
ASP A 542
PHE A 575
HIS A 600		 3CU A1001 (-3.6A)
3CU A1001 ( 3.9A)
3CU A1001 (-4.5A)
None
3CU A1001 (-2.7A)
3CU A1001 ( 3.9A)
3CU A1001 ( 3.5A)
3CU A1001 (-4.6A)
3CU A1001 ( 2.5A)
3CU A1001 (-4.5A)
3CU A1001 (-3.9A)
 0.53A 6c9zA-3cttA:
34.3		 6c9zA-3cttA:
25.14
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.
6C9Z_A_VOGA701_0 3top MALTASE-GLUCOAMYLA
SE, INTESTINAL

Homo sapiens 		TYR A1251
ILE A1280
ILE A1315
TRP A1355
ASP A1420
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584		 ACR A 1 ( 4.1A)
ACR A 1 (-4.1A)
None
ACR A 1 (-4.4A)
ACR A 1 (-3.6A)
ACR A 1 (-3.5A)
ACR A 1 (-2.9A)
ACR A 1 (-4.5A)
ACR A 1 (-2.8A)
ACR A 1 (-4.3A)
ACR A 1 (-3.9A)
 0.42A 6c9zA-3topA:
33.4		 6c9zA-3topA:
24.38
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.
6C9Z_B_VOGB701_0 2g3n ALPHA-GLUCOSIDASE

Sulfolobus
solfataricus 		ASP A 87
TYR A 184
ILE A 213
ILE A 249
TRP A 284
ASP A 320
MET A 321
ARG A 400
TRP A 413
PHE A 449
HIS A 480		 BOG A2000 (-2.7A)
BOG A2000 (-4.5A)
None
None
None
None
BOG A2000 ( 4.0A)
BOG A2000 (-3.1A)
None
None
None
 0.57A 6c9zB-2g3nA:
42.5		 6c9zB-2g3nA:
27.86
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.
6C9Z_B_VOGB701_0 3ctt MALTASE-GLUCOAMYLA
SE

Homo sapiens 		ASP A 203
TYR A 299
ILE A 328
ILE A 364
TRP A 406
ASP A 443
MET A 444
ARG A 526
TRP A 539
PHE A 575
HIS A 600		 GOL A3001 (-2.6A)
3CU A1001 (-3.6A)
3CU A1001 ( 3.9A)
3CU A1001 (-4.5A)
None
3CU A1001 (-2.7A)
3CU A1001 ( 3.9A)
3CU A1001 ( 3.5A)
3CU A1001 (-4.6A)
3CU A1001 (-4.5A)
3CU A1001 (-3.9A)
 0.52A 6c9zB-3cttA:
35.5		 6c9zB-3cttA:
25.14
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.
6C9Z_B_VOGB701_0 3top MALTASE-GLUCOAMYLA
SE, INTESTINAL

Homo sapiens 		ASP A1157
TYR A1251
ILE A1280
ILE A1315
TRP A1355
ASP A1420
MET A1421
ARG A1510
TRP A1523
PHE A1559
HIS A1584		 ACR A 1 (-2.6A)
ACR A 1 ( 4.1A)
ACR A 1 (-4.1A)
None
ACR A 1 (-4.4A)
ACR A 1 (-3.6A)
ACR A 1 (-3.5A)
ACR A 1 (-2.9A)
ACR A 1 (-4.5A)
ACR A 1 (-4.3A)
ACR A 1 (-3.9A)
 0.45A 6c9zB-3topA:
34.5		 6c9zB-3topA:
24.38
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.
6CA1_A_MIGA701_1 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		TRP A 327
ASP A 355
ILE A 356
ILE A 392
ASP A 472
MET A 473
ARG A 555
TRP A 568
ASP A 571
PHE A 604
HIS A 629		 TRS A6001 ( 3.8A)
TRS A6001 (-2.9A)
TRS A6001 ( 4.0A)
None
TRS A6001 (-3.2A)
TRS A6001 ( 3.7A)
TRS A6001 ( 4.6A)
None
TRS A6001 ( 3.7A)
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.40A 6ca1A-3lppA:
36.1		 6ca1A-3lppA:
9.26
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.
6CA1_A_MIGA701_1 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		TRP A 329
ASP A 357
ILE A 358
ILE A 396
ASP A 469
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626		 ACR A1001 (-4.1A)
ACR A1001 (-3.0A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
ACR A1001 (-3.2A)
ACR A1001 (-3.3A)
ACR A1001 (-3.0A)
ACR A1001 (-4.8A)
ACR A1001 (-2.7A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.45A 6ca1A-3welA:
36.4		 6ca1A-3welA:
6.72
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.
6CA1_A_MIGA701_1 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		TRP A 415
ASP A 443
ILE A 444
ILE A 480
ASP A 556
MET A 557
ARG A 617
TRP A 630
ASP A 633
PHE A 666
HIS A 691		 None
TRS A1001 (-2.9A)
TRS A1001 ( 4.1A)
None
TRS A1001 (-3.2A)
TRS A1001 (-3.5A)
TRS A1001 (-4.0A)
None
TRS A1001 (-2.8A)
TRS A1001 (-4.5A)
TRS A1001 (-4.0A)
 0.49A 6ca1A-5dkxA:
32.9		 6ca1A-5dkxA:
7.17
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.
6CA1_A_MIGA701_1 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		TRP A 423
ASP A 451
ILE A 452
ILE A 488
ASP A 564
MET A 565
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698		 5GF A1021 (-3.1A)
5GF A1021 (-2.0A)
5GF A1021 (-3.6A)
None
5GF A1021 (-2.1A)
5GF A1021 (-2.6A)
5GF A1021 (-3.4A)
5GF A1021 ( 4.6A)
5GF A1021 (-2.6A)
5GF A1021 (-3.6A)
5GF A1021 (-4.0A)
 0.53A 6ca1A-5hjrA:
41.1		 6ca1A-5hjrA:
7.76
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.
6CA1_B_MIGB701_1 3lpp SUCRASE-ISOMALTASE

Homo sapiens 		TRP A 327
ASP A 355
ILE A 356
ILE A 392
ASP A 472
MET A 473
ARG A 555
TRP A 568
ASP A 571
PHE A 604
HIS A 629		 TRS A6001 ( 3.8A)
TRS A6001 (-2.9A)
TRS A6001 ( 4.0A)
None
TRS A6001 (-3.2A)
TRS A6001 ( 3.7A)
TRS A6001 ( 4.6A)
None
TRS A6001 ( 3.7A)
TRS A6001 (-4.4A)
TRS A6001 (-4.2A)
 0.39A 6ca1B-3lppA:
36.4		 6ca1B-3lppA:
9.26
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.
6CA1_B_MIGB701_1 3wel ALPHA-GLUCOSIDASE

Beta vulgaris 		TRP A 329
ASP A 357
ILE A 358
ILE A 396
ASP A 469
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626		 ACR A1001 (-4.1A)
ACR A1001 (-3.0A)
ACR A1001 (-3.6A)
ACR A1001 (-4.9A)
ACR A1001 (-3.2A)
ACR A1001 (-3.3A)
ACR A1001 (-3.0A)
ACR A1001 (-4.8A)
ACR A1001 (-2.7A)
ACR A1001 (-4.3A)
ACR A1001 (-4.1A)
 0.41A 6ca1B-3welA:
37.7		 6ca1B-3welA:
6.72
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.
6CA1_B_MIGB701_1 5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

Chaetomium
thermophilum 		TRP A 415
ASP A 443
ILE A 444
ILE A 480
ASP A 556
MET A 557
ARG A 617
TRP A 630
ASP A 633
PHE A 666
HIS A 691		 None
TRS A1001 (-2.9A)
TRS A1001 ( 4.1A)
None
TRS A1001 (-3.2A)
TRS A1001 (-3.5A)
TRS A1001 (-4.0A)
None
TRS A1001 (-2.8A)
TRS A1001 (-4.5A)
TRS A1001 (-4.0A)
 0.46A 6ca1B-5dkxA:
33.0		 6ca1B-5dkxA:
7.17
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.
6CA1_B_MIGB701_1 5hjr NEUTRAL
ALPHA-GLUCOSIDASE
AB

Mus musculus 		TRP A 423
ASP A 451
ILE A 452
ILE A 488
ASP A 564
MET A 565
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698		 5GF A1021 (-3.1A)
5GF A1021 (-2.0A)
5GF A1021 (-3.6A)
None
5GF A1021 (-2.1A)
5GF A1021 (-2.6A)
5GF A1021 (-3.4A)
5GF A1021 ( 4.6A)
5GF A1021 (-2.6A)
5GF A1021 (-3.6A)
5GF A1021 (-4.0A)
 0.48A 6ca1B-5hjrA:
39.8		 6ca1B-5hjrA:
7.76
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.
6CA3_A_MIGA701_1 2g3n ALPHA-GLUCOSIDASE

Sulfolobus
solfataricus 		TYR A 184
ASP A 212
ILE A 213
ILE A 249
ASP A 320
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480		 BOG A2000 (-4.5A)
None
None
None
None
BOG A2000 ( 4.0A)
BOG A2000 (-3.1A)
None
BOG A2000 (-3.0A)
None
None
 0.45A 6ca3A-2g3nA:
42.7		 6ca3A-2g3nA:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1 3ctt MALTASE-GLUCOAMYLA
SE

Homo sapiens 		TYR A 299
ASP A 327
ILE A 328
ILE A 364
ASP A 443
MET A 444
ARG A 526
TRP A 539
ASP A 542
PHE A 575
HIS A 600		 3CU A1001 (-3.6A)
3CU A1001 (-2.7A)
3CU A1001 ( 3.9A)
3CU A1001 (-4.5A)
3CU A1001 (-2.7A)
3CU A1001 ( 3.9A)
3CU A1001 ( 3.5A)
3CU A1001 (-4.6A)
3CU A1001 ( 2.5A)
3CU A1001 (-4.5A)
3CU A1001 (-3.9A)
 0.47A 6ca3A-3cttA:
35.7		 6ca3A-3cttA:
6.67
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.
6CA3_A_MIGA701_1 3top MALTASE-GLUCOAMYLA
SE, INTESTINAL

Homo sapiens 		TYR A1251
ASP A1279
ILE A1280
ILE A1315
ASP A1420
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584		 ACR A 1 ( 4.1A)
ACR A 1 (-3.2A)
ACR A 1 (-4.1A)
None
ACR A 1 (-3.6A)
ACR A 1 (-3.5A)
ACR A 1 (-2.9A)
ACR A 1 (-4.5A)
ACR A 1 (-2.8A)
ACR A 1 (-4.3A)
ACR A 1 (-3.9A)
 0.42A 6ca3A-3topA:
34.6		 6ca3A-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CEN_A_SAMA1301_0 6cen HISTONE-LYSINE
N-METHYLTRANSFERAS
E NSD3

Homo sapiens 		ARG A1155
GLY A1156
TRP A1157
ASN A1198
TYR A1200
ASN A1223
HIS A1224
TYR A1261
CYH A1273
CYH A1275
LEU A1284		 None
SAM A1301 (-3.6A)
None
SAM A1301 (-3.8A)
SAM A1301 (-3.9A)
SAM A1301 (-3.2A)
None
SAM A1301 (-4.9A)
ZN A1304 ( 2.3A)
ZN A1304 (-2.3A)
SAM A1301 (-4.6A)
 0.03A 6cenA-6cenA:
38.5		 6cenA-6cenA:
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.
6DIL_B_TPVB201_1 2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

Equine infectious
anemia virus 		ARG A 8
LEU A 23
ASP A 25
GLY A 27
ALA A 28
VAL A 32
ILE A 53
GLY A 55
PRO A 86
VAL A 87
ILE A 89		 LP1 A 201 (-3.5A)
None
LP1 A 201 (-2.3A)
LP1 A 201 (-3.8A)
LP1 A 201 (-3.5A)
None
LP1 A 201 (-4.6A)
LP1 A 201 (-3.4A)
LP1 A 201 (-3.9A)
LP1 A 201 ( 4.9A)
LP1 A 201 (-4.2A)
 0.62A 6dilB-2fmbA:
15.0		 6dilB-2fmbA:
28.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6E8Q_A_X2NA602_0 5fsa CYP51 VARIANT1

Candida albicans 		GLY A 65
TYR A 118
PHE A 126
ILE A 131
PHE A 228
GLY A 307
THR A 311
LEU A 376
HIS A 377
PHE A 380
MET A 508		 X2N A 590 ( 4.0A)
X2N A 590 ( 4.0A)
X2N A 590 (-4.8A)
X2N A 590 (-4.2A)
X2N A 590 (-4.9A)
X2N A 590 (-3.5A)
HEM A 580 (-3.6A)
X2N A 590 (-4.3A)
X2N A 590 (-4.3A)
X2N A 590 ( 4.8A)
X2N A 590 (-4.8A)
 0.52A 6e8qA-5fsaA:
57.2		 6e8qA-5fsaA:
11.55
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.
6EXI_A_ADNA502_0 3h9u ADENOSYLHOMOCYSTEI
NASE

Trypanosoma
brucei 		HIS A 52
THR A 54
GLN A 56
THR A 57
ASP A 189
ASN A 345
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361		 ADN A 439 ( 4.7A)
ADN A 439 (-2.7A)
ADN A 439 (-3.6A)
ADN A 439 (-4.7A)
NAD A 438 ( 4.4A)
NAD A 438 (-2.9A)
ADN A 439 ( 4.7A)
ADN A 439 (-3.5A)
ADN A 439 ( 3.3A)
ADN A 439 ( 3.7A)
None
 0.29A 6exiA-3h9uA:
56.3		 6exiA-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0 3n58 ADENOSYLHOMOCYSTEI
NASE

Brucella abortus 		HIS A 55
THR A 57
GLN A 59
THR A 60
ASP A 226
ASN A 380
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396		 ADN A 500 (-4.0A)
ADN A 500 (-2.8A)
K A 2 ( 3.3A)
ADN A 500 (-4.6A)
ADN A 500 ( 2.6A)
NAD A 550 (-3.0A)
ADN A 500 ( 4.8A)
ADN A 500 (-3.7A)
ADN A 500 (-3.4A)
ADN A 500 (-3.7A)
None
 0.23A 6exiA-3n58A:
61.1		 6exiA-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0 6f3m -

- 		HIS B 61
THR B 63
GLN B 65
THR B 66
ASP B 198
ASN B 375
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)
ADN B 502 (-4.6A)
ADN B 502 (-2.7A)
NAD B 501 (-3.0A)
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)
 0.29A 6exiA-6f3mB:
52.3		 6exiA-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.
6EXI_A_ADNA502_0 6gbn -

- 		HIS A 56
THR A 58
GLN A 60
THR A 61
ASP A 193
ASN A 349
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 (-4.6A)
ADN A 501 (-2.7A)
NAD A 502 (-3.1A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.20A 6exiA-6gbnA:
57.3		 6exiA-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.
6EXI_B_ADNB502_0 3h9u ADENOSYLHOMOCYSTEI
NASE

Trypanosoma
brucei 		HIS A 52
THR A 54
GLN A 56
THR A 57
LYS A 185
ASP A 189
ASN A 345
LEU A 346
HIS A 352
MET A 357
PHE A 361		 ADN A 439 ( 4.7A)
ADN A 439 (-2.7A)
ADN A 439 (-3.6A)
ADN A 439 (-4.7A)
NAD A 438 ( 3.9A)
NAD A 438 ( 4.4A)
NAD A 438 (-2.9A)
ADN A 439 ( 4.7A)
ADN A 439 ( 3.3A)
ADN A 439 ( 3.7A)
None
 0.70A 6exiB-3h9uA:
55.1		 6exiB-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB502_0 3n58 ADENOSYLHOMOCYSTEI
NASE

Brucella abortus 		HIS A 55
THR A 57
GLN A 59
THR A 60
LYS A 222
ASP A 226
ASN A 380
LEU A 381
HIS A 387
MET A 392
PHE A 396		 ADN A 500 (-4.0A)
ADN A 500 (-2.8A)
K A 2 ( 3.3A)
ADN A 500 (-4.6A)
ADN A 500 (-2.7A)
ADN A 500 ( 2.6A)
NAD A 550 (-3.0A)
ADN A 500 ( 4.8A)
ADN A 500 (-3.4A)
ADN A 500 (-3.7A)
None
 0.65A 6exiB-3n58A:
60.1		 6exiB-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_B_ADNB502_0 6f3m -

- 		HIS B 61
THR B 63
GLN B 65
THR B 66
LYS B 194
ASP B 198
ASN B 375
LEU B 376
HIS B 382
MET B 387
PHE B 391		 ADN B 502 ( 4.0A)
ADN B 502 (-2.8A)
K B 504 ( 3.0A)
ADN B 502 (-4.6A)
ADN B 502 (-2.8A)
ADN B 502 (-2.7A)
NAD B 501 (-3.0A)
ADN B 502 ( 4.8A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.68A 6exiB-6f3mB:
51.2		 6exiB-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.
6EXI_B_ADNB502_0 6gbn -

- 		HIS A 56
THR A 58
GLN A 60
THR A 61
LYS A 189
ASP A 193
ASN A 349
LEU A 350
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 (-4.6A)
ADN A 501 (-2.9A)
ADN A 501 (-2.7A)
NAD A 502 (-3.1A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.65A 6exiB-6gbnA:
31.6		 6exiB-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.
6EXI_D_ADND502_0 3h9u ADENOSYLHOMOCYSTEI
NASE

Trypanosoma
brucei 		HIS A 52
THR A 54
GLN A 56
THR A 57
ASP A 189
ASN A 345
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361		 ADN A 439 ( 4.7A)
ADN A 439 (-2.7A)
ADN A 439 (-3.6A)
ADN A 439 (-4.7A)
NAD A 438 ( 4.4A)
NAD A 438 (-2.9A)
ADN A 439 ( 4.7A)
ADN A 439 (-3.5A)
ADN A 439 ( 3.3A)
ADN A 439 ( 3.7A)
None
 0.36A 6exiD-3h9uA:
55.8		 6exiD-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_0 3n58 ADENOSYLHOMOCYSTEI
NASE

Brucella abortus 		HIS A 55
THR A 57
GLN A 59
THR A 60
ASP A 226
ASN A 380
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396		 ADN A 500 (-4.0A)
ADN A 500 (-2.8A)
K A 2 ( 3.3A)
ADN A 500 (-4.6A)
ADN A 500 ( 2.6A)
NAD A 550 (-3.0A)
ADN A 500 ( 4.8A)
ADN A 500 (-3.7A)
ADN A 500 (-3.4A)
ADN A 500 (-3.7A)
None
 0.30A 6exiD-3n58A:
59.9		 6exiD-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_0 6f3m -

- 		HIS B 61
THR B 63
GLN B 65
THR B 66
ASP B 198
ASN B 375
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)
ADN B 502 (-4.6A)
ADN B 502 (-2.7A)
NAD B 501 (-3.0A)
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)
 0.34A 6exiD-6f3mB:
51.7		 6exiD-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.
6EXI_D_ADND502_0 6gbn -

- 		HIS A 56
THR A 58
GLN A 60
THR A 61
ASP A 193
ASN A 349
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 (-4.6A)
ADN A 501 (-2.7A)
NAD A 502 (-3.1A)
ADN A 501 ( 4.7A)
ADN A 501 (-3.8A)
ADN A 501 (-3.4A)
ADN A 501 (-3.6A)
None
 0.28A 6exiD-6gbnA:
56.5		 6exiD-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.
6GBN_A_ADNA501_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.22A 6gbnA-6f3mB:
57.5		 6gbnA-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.
6GBN_B_ADNB501_1 6f3m -

- 		HIS B 61
THR B 63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
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 ( 3.7A)
ADN B 502 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.27A 6gbnB-6f3mB:
57.1		 6gbnB-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.
6GBN_C_ADNC501_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
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 (-3.4A)
ADN B 502 (-3.7A)
ADN B 502 (-4.9A)
 0.28A 6gbnC-6f3mB:
57.6		 6gbnC-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.
6GBN_D_ADND501_1 6f3m -

- 		HIS B 61
THR B 63
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)
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)
 0.25A 6gbnD-6f3mB:
56.8		 6gbnD-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.
6GNE_A_ACRA602_1 6gnf -

- 		GLY A 18
GLY A 19
VAL A 23
ASP A 151
VAL A 251
ASN A 283
ARG A 338
GLN A 342
PRO A 415
CYH A 416
GLY A 417		 ADP A 601 ( 3.8A)
ADP A 601 ( 3.3A)
None
QPS A 602 (-3.3A)
QPS A 602 ( 4.6A)
QPS A 602 (-3.4A)
ADP A 601 ( 4.1A)
QPS A 602 (-3.2A)
QPS A 602 (-3.6A)
QPS A 602 (-4.9A)
QPS A 602 (-3.7A)
 0.42A 6gneA-6gnfA:
42.1		 6gneA-6gnfA:
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.
6GNE_A_ACRA602_1 6gng -

- 		GLY A 36
GLY A 37
VAL A 41
ASP A 169
VAL A 269
ASN A 301
ARG A 356
GLN A 360
PRO A 435
CYH A 436
GLY A 437		 ADP A 602 ( 3.5A)
ADP A 602 ( 3.4A)
None
QPS A 601 (-3.3A)
QPS A 601 ( 4.7A)
QPS A 601 (-3.2A)
ADP A 602 ( 3.6A)
QPS A 601 (-3.2A)
QPS A 601 (-3.9A)
QPS A 601 (-4.8A)
ADP A 602 ( 3.6A)
 0.48A 6gneA-6gngA:
42.2		 6gneA-6gngA:
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.
6GNE_B_ACRB602_1 6gnf -

- 		GLU A 10
GLY A 18
GLY A 19
VAL A 23
ASP A 151
VAL A 251
ASN A 283
ARG A 338
GLN A 342
PRO A 415
GLY A 417		 QPS A 602 ( 4.5A)
ADP A 601 ( 3.8A)
ADP A 601 ( 3.3A)
None
QPS A 602 (-3.3A)
QPS A 602 ( 4.6A)
QPS A 602 (-3.4A)
ADP A 601 ( 4.1A)
QPS A 602 (-3.2A)
QPS A 602 (-3.6A)
QPS A 602 (-3.7A)
 0.42A 6gneB-6gnfA:
41.8		 6gneB-6gnfA:
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.
6GNE_B_ACRB602_1 6gng -

- 		GLU A 28
GLY A 36
GLY A 37
VAL A 41
ASP A 169
VAL A 269
ASN A 301
ARG A 356
GLN A 360
PRO A 435
GLY A 437		 QPS A 601 ( 4.1A)
ADP A 602 ( 3.5A)
ADP A 602 ( 3.4A)
None
QPS A 601 (-3.3A)
QPS A 601 ( 4.7A)
QPS A 601 (-3.2A)
ADP A 602 ( 3.6A)
QPS A 601 (-3.2A)
QPS A 601 (-3.9A)
ADP A 602 ( 3.6A)
 0.49A 6gneB-6gngA:
41.9		 6gneB-6gngA:
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.
6GNF_A_QPSA602_1 6gng -

- 		VAL A 41
ASP A 127
ASP A 169
HIS A 171
ASN A 200
ASN A 301
ARG A 356
GLN A 360
GLU A 434
PRO A 435
GLY A 437		 None
QPS A 601 (-2.9A)
QPS A 601 (-3.3A)
QPS A 601 (-4.2A)
QPS A 601 (-4.2A)
QPS A 601 (-3.2A)
ADP A 602 ( 3.6A)
QPS A 601 (-3.2A)
QPS A 601 ( 3.7A)
QPS A 601 (-3.9A)
ADP A 602 ( 3.6A)
 0.39A 6gnfA-6gngA:
54.4		 6gnfA-6gngA:
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.
6GNF_C_QPSC602_2 6gng -

- 		VAL A 41
ASP A 127
ASP A 169
HIS A 171
ASN A 200
ASN A 301
ARG A 356
GLN A 360
GLU A 434
PRO A 435
GLY A 437		 None
QPS A 601 (-2.9A)
QPS A 601 (-3.3A)
QPS A 601 (-4.2A)
QPS A 601 (-4.2A)
QPS A 601 (-3.2A)
ADP A 602 ( 3.6A)
QPS A 601 (-3.2A)
QPS A 601 ( 3.7A)
QPS A 601 (-3.9A)
ADP A 602 ( 3.6A)
 0.41A 6gnfC-6gngA:
52.3		 6gnfC-6gngA:
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.
6GNG_A_QPSA601_2 6gne -

- 		GLU A 33
GLY A 42
TYR A 127
TRP A 162
HIS A 190
TYR A 194
VAL A 244
ARG A 332
GLU A 412
PRO A 413
GLY A 415		 ACR A 602 ( 4.6A)
ADP A 601 ( 3.2A)
ACR A 602 ( 4.2A)
ACR A 602 (-4.2A)
ACR A 602 (-3.8A)
ACR A 602 (-4.0A)
ACR A 602 (-4.3A)
ACR A 602 ( 3.7A)
ACR A 602 (-3.7A)
ACR A 602 (-3.5A)
ADP A 601 ( 3.5A)
 0.51A 6gngA-6gneA:
42.2		 6gngA-6gneA:
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.
6GNG_A_QPSA601_2 6gnf -

- 		GLU A 10
GLY A 19
TYR A 101
TRP A 152
HIS A 181
PRO A 216
VAL A 251
ARG A 338
GLU A 414
PRO A 415
GLY A 417		 QPS A 602 ( 4.5A)
ADP A 601 ( 3.3A)
QPS A 602 (-3.9A)
SO4 A 606 ( 3.3A)
QPS A 602 (-4.1A)
None
QPS A 602 ( 4.6A)
ADP A 601 ( 4.1A)
QPS A 602 (-3.6A)
QPS A 602 (-3.6A)
QPS A 602 (-3.7A)
 0.34A 6gngA-6gnfA:
54.4		 6gngA-6gnfA:
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.
6GSD_A_STRA401_0 5mlh -

- 		ARG A 146
LYS A 147
VAL A 150
PHE A 153
ILE A 156
ASN A 205
MET A 215
SER A 248
TRP A 284
VAL A 347
ILE A 350		 None
XOG A 402 ( 2.7A)
None
XOG A 402 (-3.9A)
None
XOG A 402 (-2.8A)
XOG A 402 ( 4.2A)
XOG A 402 ( 4.6A)
None
XOG A 402 (-3.6A)
XOG A 402 (-4.8A)
 0.58A 6gsdA-5mlhA:
62.5		 6gsdA-5mlhA:
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.
6GSD_A_STRA401_0 5mlh -

- 		ARG A 146
VAL A 150
PHE A 153
ILE A 156
ASN A 205
MET A 215
SER A 248
TRP A 284
VAL A 347
ILE A 350
CYH A 352		 None
None
XOG A 402 (-3.9A)
None
XOG A 402 (-2.8A)
XOG A 402 ( 4.2A)
XOG A 402 ( 4.6A)
None
XOG A 402 (-3.6A)
XOG A 402 (-4.8A)
XOG A 402 (-3.8A)
 0.57A 6gsdA-5mlhA:
62.5		 6gsdA-5mlhA:
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.
6H7J_A_5FWA401_0 3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

Homo sapiens;
Escherichia virus
T4 		TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 203
SER A 204
SER A 207
PHE A 289
PHE A 290
ASN A 293
ASN A 312		 None
ERC A1201 ( 4.6A)
ERC A1201 (-3.7A)
ERC A1201 (-3.8A)
ERC A1201 (-2.8A)
ERC A1201 ( 4.1A)
ERC A1201 (-2.7A)
ERC A1201 (-4.5A)
ERC A1201 (-4.8A)
ERC A1201 (-3.5A)
ERC A1201 (-3.0A)
 0.70A 6h7jA-3pdsA:
32.1		 6h7jA-3pdsA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 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 3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

Homo sapiens;
Escherichia virus
T4 		TRP A 109
THR A 110
ASP A 113
VAL A 114
SER A 203
SER A 204
SER A 207
PHE A 289
PHE A 290
ASN A 293
ASN A 312		 None
ERC A1201 ( 4.6A)
ERC A1201 (-3.7A)
ERC A1201 (-3.8A)
ERC A1201 (-2.8A)
ERC A1201 ( 4.1A)
ERC A1201 (-2.7A)
ERC A1201 (-4.5A)
ERC A1201 (-4.8A)
ERC A1201 (-3.5A)
ERC A1201 (-3.0A)
 0.70A 6h7jB-3pdsA:
32.8		 6h7jB-3pdsA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 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 3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

Homo sapiens;
Escherichia virus
T4 		TRP A 109
THR A 110
ASP A 113
VAL A 114
PHE A 193
SER A 203
PHE A 289
PHE A 290
ASN A 293
ASN A 312
TYR A 316		 None
ERC A1201 ( 4.6A)
ERC A1201 (-3.7A)
ERC A1201 (-3.8A)
ERC A1201 (-4.4A)
ERC A1201 (-2.8A)
ERC A1201 (-4.5A)
ERC A1201 (-4.8A)
ERC A1201 (-3.5A)
ERC A1201 (-3.0A)
None
 0.54A 6h7mA-3pdsA:
32.3		 6h7mA-3pdsA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 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 3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

Homo sapiens;
Escherichia virus
T4 		TRP A 109
THR A 110
ASP A 113
VAL A 114
PHE A 193
SER A 203
SER A 207
PHE A 289
PHE A 290
ASN A 293
ASN A 312		 None
ERC A1201 ( 4.6A)
ERC A1201 (-3.7A)
ERC A1201 (-3.8A)
ERC A1201 (-4.4A)
ERC A1201 (-2.8A)
ERC A1201 (-2.7A)
ERC A1201 (-4.5A)
ERC A1201 (-4.8A)
ERC A1201 (-3.5A)
ERC A1201 (-3.0A)
 0.58A 6h7mA-3pdsA:
32.3		 6h7mA-3pdsA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 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 3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

Homo sapiens;
Escherichia virus
T4 		TRP A 109
ASP A 113
VAL A 114
VAL A 117
PHE A 193
SER A 203
PHE A 289
PHE A 290
ASN A 293
ASN A 312
TYR A 316		 None
ERC A1201 (-3.7A)
ERC A1201 (-3.8A)
None
ERC A1201 (-4.4A)
ERC A1201 (-2.8A)
ERC A1201 (-4.5A)
ERC A1201 (-4.8A)
ERC A1201 (-3.5A)
ERC A1201 (-3.0A)
None
 0.60A 6h7mB-3pdsA:
32.6		 6h7mB-3pdsA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 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 3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

Homo sapiens;
Escherichia virus
T4 		TRP A 109
ASP A 113
VAL A 114
VAL A 117
PHE A 193
SER A 203
SER A 207
PHE A 289
PHE A 290
ASN A 293
ASN A 312		 None
ERC A1201 (-3.7A)
ERC A1201 (-3.8A)
None
ERC A1201 (-4.4A)
ERC A1201 (-2.8A)
ERC A1201 (-2.7A)
ERC A1201 (-4.5A)
ERC A1201 (-4.8A)
ERC A1201 (-3.5A)
ERC A1201 (-3.0A)
 0.59A 6h7mB-3pdsA:
32.6		 6h7mB-3pdsA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 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 1vcj NEURAMINIDASE

Influenza B virus 		ARG A 116
GLU A 117
ASP A 149
ARG A 150
ARG A 154
ARG A 223
GLU A 226
ALA A 245
ARG A 292
ARG A 374
TYR A 409		 IBA A 1 (-3.3A)
IBA A 1 (-3.9A)
IBA A 1 (-3.6A)
IBA A 1 (-3.9A)
IBA A 1 (-4.1A)
IBA A 1 ( 4.5A)
IBA A 1 (-3.9A)
IBA A 1 ( 3.9A)
IBA A 1 (-3.5A)
IBA A 1 (-3.2A)
None
 0.68A 6hcxA-1vcjA:
53.7		 6hcxA-1vcjA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 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 3ckz 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
GLU A 276
ARG A 292
ARG A 371
TYR A 406		 ZMR A 469 (-2.9A)
ZMR A 469 (-3.5A)
ZMR A 469 (-3.5A)
ZMR A 469 (-3.9A)
ZMR A 469 (-3.4A)
ZMR A 469 (-4.4A)
ZMR A 469 (-3.5A)
ZMR A 469 (-2.8A)
ZMR A 469 (-3.0A)
ZMR A 469 (-2.9A)
ZMR A 469 (-4.7A)
 0.56A 6hcxA-3ckzA:
64.5		 6hcxA-3ckzA:
10.90
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.
6HCX_A_ZMRA519_0 4b7j NEURAMINIDASE

Influenza A virus 		ARG A 118
GLU A 119
ASP A 151
ARG A 152
ARG A 156
ARG A 225
GLU A 228
GLU A 277
ARG A 293
ARG A 368
TYR A 402		 G39 A1470 (-3.1A)
G39 A1470 (-3.5A)
G39 A1470 (-3.7A)
G39 A1470 (-3.9A)
None
G39 A1470 (-4.4A)
None
G39 A1470 (-3.7A)
G39 A1470 (-2.9A)
G39 A1470 (-3.0A)
G39 A1470 (-4.5A)
 0.59A 6hcxA-4b7jA:
64.4		 6hcxA-4b7jA:
10.72
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.
6HCX_A_ZMRA519_0 4h53 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		 SLB A 512 (-2.7A)
SLB A 512 (-3.5A)
SLB A 512 (-3.5A)
SLB A 512 (-3.8A)
None
SLB A 512 (-4.2A)
None
SLB A 512 (-3.3A)
SLB A 512 (-2.8A)
SLB A 512 (-3.1A)
SLB A 512 (-2.9A)
 0.22A 6hcxA-4h53A:
18.4		 6hcxA-4h53A:
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.
6HD4_A_STIA604_0 1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

Mus musculus 		VAL A 275
ALA A 288
LYS A 290
GLU A 305
MET A 309
ILE A 312
VAL A 318
ILE A 332
THR A 334
LEU A 389
ALA A 399		 P16 A 2 (-4.5A)
P16 A 2 (-3.4A)
P16 A 2 (-4.5A)
P16 A 2 (-4.2A)
P16 A 2 (-3.3A)
None
P16 A 2 ( 4.7A)
P16 A 2 (-4.1A)
P16 A 2 (-3.7A)
P16 A 2 (-4.4A)
P16 A 2 (-3.5A)
 0.70A 6hd4A-1opkA:
36.8		 6hd4A-1opkA:
28.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_A_STIA603_0 1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

Mus musculus 		VAL A 275
ALA A 288
LYS A 290
GLU A 305
MET A 309
VAL A 318
ILE A 332
THR A 334
PHE A 336
LEU A 389
ALA A 399		 P16 A 2 (-4.5A)
P16 A 2 (-3.4A)
P16 A 2 (-4.5A)
P16 A 2 (-4.2A)
P16 A 2 (-3.3A)
P16 A 2 ( 4.7A)
P16 A 2 (-4.1A)
P16 A 2 (-3.7A)
P16 A 2 ( 4.4A)
P16 A 2 (-4.4A)
P16 A 2 (-3.5A)
 0.63A 6hd6A-1opkA:
36.7		 6hd6A-1opkA:
28.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_A_STIA603_0 2hk5 TYROSINE-PROTEIN
KINASE HCK

Homo sapiens 		VAL A 259
ALA A 271
GLU A 288
MET A 292
VAL A 301
ILE A 314
THR A 316
PHE A 318
LEU A 371
ALA A 381
ASP A 382		 1BM A 499 ( 4.8A)
1BM A 499 (-3.6A)
1BM A 499 (-3.2A)
1BM A 499 ( 3.8A)
None
1BM A 499 (-3.9A)
1BM A 499 (-3.2A)
1BM A 499 (-4.1A)
1BM A 499 (-4.4A)
1BM A 499 ( 3.7A)
1BM A 499 (-4.4A)
 0.99A 6hd6A-2hk5A:
31.7		 6hd6A-2hk5A:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN8_A_HFGA603_0 5xio PROLINE-TRNA
SYNTHETASE CLASS
II AARS (YBAK RNA
BINDING DOMAIN
PLUS TRNA
SYNTHETASE)

Cryptosporidium
parvum 		LEU A 297
PHE A 307
VAL A 311
PRO A 330
TRP A 379
GLU A 381
HIS A 383
THR A 450
SER A 480
TRP A 481
GLY A 482		 None
HFG A 801 (-3.7A)
HFG A 801 (-4.3A)
HFG A 801 ( 4.8A)
None
HFG A 801 ( 4.9A)
HFG A 801 ( 4.7A)
ANP A 803 (-3.9A)
HFG A 801 ( 3.8A)
None
HFG A 801 (-3.9A)
 0.44A 6mn8A-5xioA:
43.8		 6mn8A-5xioA:
undetectable