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.
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.
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.
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.
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.
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.
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.
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.
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.
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_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.
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.
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_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.
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.
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.
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.
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