Potential binding sites containing nine 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.
1JD0_A_AZMA1400_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY A 279 ( 4.7A)
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.38A 1jd0A-1y7wA:
24.7		 1jd0A-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_A_AZMA1400_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN A 378 ( 4.5A)
None
None
 0.44A 1jd0A-3b1bA:
24.8		 1jd0A-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_A_AZMA1400_1 3q31 CARBONIC ANHYDRASE

Aspergillus
oryzae 		GLN A 121
HIS A 123
HIS A 125
HIS A 142
VAL A 144
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 ( 3.2A)
None
MLT A 3 ( 4.2A)
MLT A 3 ( 4.3A)
MLT A 3 (-2.8A)
MLT A 3 (-4.9A)
 0.50A 1jd0A-3q31A:
24.7		 1jd0A-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_A_AZMA1400_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
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)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.42A 1jd0A-4g7aA:
30.3		 1jd0A-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_A_AZMA1400_1 4xix CARBONIC
ANHYDRASE, ALPHA
TYPE

Chlamydomonas
reinhardtii 		GLN A 158
HIS A 160
HIS A 162
HIS A 179
VAL A 181
LEU A 253
THR A 254
THR A 255
TRP A 264		 None
ZN A 401 ( 3.2A)
ZN A 401 ( 3.2A)
ZN A 401 ( 3.1A)
None
2HP A 402 (-3.4A)
2HP A 402 (-2.9A)
2HP A 402 (-3.6A)
None
 0.44A 1jd0A-4xixA:
25.3		 1jd0A-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_A_AZMA1400_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.42A 1jd0A-6ekiA:
29.5		 1jd0A-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_A_AZMA1400_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
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)
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.42A 1jd0A-6fe1A:
37.3		 1jd0A-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.
1Q6I_A_FK5A301_1 1pbk FKBP25

Homo sapiens 		TYR A 135
ASP A 146
LEU A 162
VAL A 171
ILE A 172
TRP A 175
TYR A 198
ILE A 208
PHE A 216		 RAP A 225 (-3.9A)
RAP A 225 (-3.0A)
RAP A 225 (-4.8A)
RAP A 225 (-3.5A)
RAP A 225 (-3.9A)
RAP A 225 (-3.4A)
RAP A 225 (-4.6A)
RAP A 225 ( 4.9A)
None
 0.60A 1q6iA-1pbkA:
15.7		 1q6iA-1pbkA:
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.
1ZW5_A_ZOLA901_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.36A 1zw5A-1rqjA:
30.4		 1zw5A-1rqjA:
27.75
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.
1ZW5_A_ZOLA901_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.51A 1zw5A-3q1oA:
31.3		 1zw5A-3q1oA:
26.16
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.
1ZW5_A_ZOLA901_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.44A 1zw5A-6b07A:
47.4		 1zw5A-6b07A:
14.29
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.
2F89_F_210F9001_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
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)
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)
 0.41A 2f89F-6b07A:
47.7		 2f89F-6b07A:
14.23
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.
3EZ3_A_ZOLA397_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.39A 3ez3A-1rqjA:
29.3		 3ez3A-1rqjA:
24.39
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.
3EZ3_A_ZOLA397_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.47A 3ez3A-3q1oA:
31.0		 3ez3A-3q1oA:
26.78
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.
3EZ3_A_ZOLA397_1 4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma cruzi 		ASP A 98
ASP A 102
ARG A 107
GLN A 167
LYS A 207
THR A 208
GLN A 247
ASP A 250
LYS A 264		 MG A 403 (-2.5A)
MG A 403 (-2.4A)
0MW A 404 (-2.7A)
0MW A 404 (-3.7A)
0MW A 404 (-2.8A)
IPE A 405 ( 4.6A)
0MW A 404 ( 3.8A)
MG A 401 (-2.7A)
0MW A 404 ( 3.0A)
 0.57A 3ez3A-4e1eA:
45.1		 3ez3A-4e1eA:
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.
3EZ3_A_ZOLA397_1 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma
brucei 		ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269		 MG B1370 (-2.5A)
MG B1369 (-2.2A)
G76 B1368 (-2.8A)
G76 B1368 ( 4.1A)
G76 B1368 (-2.8A)
G76 B1368 (-4.2A)
G76 B1368 ( 4.0A)
MG B1371 ( 3.0A)
G76 B1368 (-3.1A)
 0.66A 3ez3A-5ahuB:
32.9		 3ez3A-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EZ3_A_ZOLA397_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.50A 3ez3A-6b07A:
43.4		 3ez3A-6b07A:
12.10
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.
3EZ3_B_ZOLB397_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.32A 3ez3B-1rqjA:
29.1		 3ez3B-1rqjA:
24.39
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.
3EZ3_B_ZOLB397_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.45A 3ez3B-3q1oA:
30.3		 3ez3B-3q1oA:
26.78
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.
3EZ3_B_ZOLB397_1 4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma cruzi 		ASP A 98
ASP A 102
ARG A 107
GLN A 167
LYS A 207
THR A 208
GLN A 247
ASP A 250
LYS A 264		 MG A 403 (-2.5A)
MG A 403 (-2.4A)
0MW A 404 (-2.7A)
0MW A 404 (-3.7A)
0MW A 404 (-2.8A)
IPE A 405 ( 4.6A)
0MW A 404 ( 3.8A)
MG A 401 (-2.7A)
0MW A 404 ( 3.0A)
 0.46A 3ez3B-4e1eA:
44.3		 3ez3B-4e1eA:
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.
3EZ3_B_ZOLB397_1 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma
brucei 		ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269		 MG B1370 (-2.5A)
MG B1369 (-2.2A)
G76 B1368 (-2.8A)
G76 B1368 ( 4.1A)
G76 B1368 (-2.8A)
G76 B1368 (-4.2A)
G76 B1368 ( 4.0A)
MG B1371 ( 3.0A)
G76 B1368 (-3.1A)
 0.55A 3ez3B-5ahuB:
23.5		 3ez3B-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EZ3_B_ZOLB397_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.45A 3ez3B-6b07A:
42.8		 3ez3B-6b07A:
12.10
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.
3EZ3_C_ZOLC397_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.37A 3ez3C-1rqjA:
29.3		 3ez3C-1rqjA:
24.39
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.
3EZ3_C_ZOLC397_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.48A 3ez3C-3q1oA:
30.9		 3ez3C-3q1oA:
26.78
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.
3EZ3_C_ZOLC397_1 4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma cruzi 		ASP A 98
ASP A 102
ARG A 107
GLN A 167
LYS A 207
THR A 208
GLN A 247
ASP A 250
LYS A 264		 MG A 403 (-2.5A)
MG A 403 (-2.4A)
0MW A 404 (-2.7A)
0MW A 404 (-3.7A)
0MW A 404 (-2.8A)
IPE A 405 ( 4.6A)
0MW A 404 ( 3.8A)
MG A 401 (-2.7A)
0MW A 404 ( 3.0A)
 0.56A 3ez3C-4e1eA:
45.1		 3ez3C-4e1eA:
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.
3EZ3_C_ZOLC397_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.50A 3ez3C-6b07A:
43.4		 3ez3C-6b07A:
12.10
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.
3FHJ_D_TRPD1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
VAL A 42
HIS A 45
MET A 132
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.5A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.56A 3fhjD-6dfuA:
39.1		 3fhjD-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHJ_F_TRPF1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
VAL A 42
HIS A 45
MET A 132
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.5A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.56A 3fhjF-6dfuA:
39.7		 3fhjF-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_A_TRPA1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.86A 3fi0A-6dfuA:
38.9		 3fi0A-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_C_TRPC1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.86A 3fi0C-6dfuA:
39.2		 3fi0C-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_K_TRPK1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.88A 3fi0K-6dfuA:
38.7		 3fi0K-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_L_TRPL1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.83A 3fi0L-6dfuA:
39.9		 3fi0L-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_N_TRPN1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.87A 3fi0N-6dfuA:
39.7		 3fi0N-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_O_TRPO1001_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.9A)
None
None
None
TRP A 501 (-3.3A)
 0.82A 3fi0O-6dfuA:
39.6		 3fi0O-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN0_A_DMOA551_1 3sl1 ARGINASE

Plasmodium
falciparum 		HIS A 218
ASP A 220
ASN A 222
SER A 229
HIS A 233
GLY A 234
ASP A 274
GLU A 277
THR A 337		 MN A 412 ( 3.3A)
FB6 A 414 ( 2.6A)
FB6 A 414 (-4.0A)
FB6 A 414 (-2.6A)
FB6 A 414 (-3.5A)
FB6 A 414 (-3.6A)
FB6 A 414 (-2.9A)
FB6 A 414 ( 4.0A)
FB6 A 414 ( 4.2A)
 0.40A 3gn0A-3sl1A:
44.6		 3gn0A-3sl1A:
29.29
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.
3GN0_B_DMOB552_1 3sl1 ARGINASE

Plasmodium
falciparum 		HIS A 218
ASP A 220
ASN A 222
SER A 229
HIS A 233
GLY A 234
ASP A 274
GLU A 277
THR A 337		 MN A 412 ( 3.3A)
FB6 A 414 ( 2.6A)
FB6 A 414 (-4.0A)
FB6 A 414 (-2.6A)
FB6 A 414 (-3.5A)
FB6 A 414 (-3.6A)
FB6 A 414 (-2.9A)
FB6 A 414 ( 4.0A)
FB6 A 414 ( 4.2A)
 0.40A 3gn0B-3sl1A:
44.9		 3gn0B-3sl1A:
29.29
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.
3LDW_A_ZOLA397_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.37A 3ldwA-1rqjA:
29.1		 3ldwA-1rqjA:
24.39
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.
3LDW_A_ZOLA397_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.49A 3ldwA-3q1oA:
30.9		 3ldwA-3q1oA:
26.78
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.
3LDW_A_ZOLA397_1 4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma cruzi 		ASP A 98
ASP A 102
ARG A 107
GLN A 167
LYS A 207
THR A 208
GLN A 247
ASP A 250
LYS A 264		 MG A 403 (-2.5A)
MG A 403 (-2.4A)
0MW A 404 (-2.7A)
0MW A 404 (-3.7A)
0MW A 404 (-2.8A)
IPE A 405 ( 4.6A)
0MW A 404 ( 3.8A)
MG A 401 (-2.7A)
0MW A 404 ( 3.0A)
 0.58A 3ldwA-4e1eA:
45.0		 3ldwA-4e1eA:
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.
3LDW_A_ZOLA397_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.50A 3ldwA-6b07A:
43.4		 3ldwA-6b07A:
12.10
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.
3LDW_B_ZOLB397_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.32A 3ldwB-1rqjA:
29.1		 3ldwB-1rqjA:
24.39
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.
3LDW_B_ZOLB397_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.47A 3ldwB-3q1oA:
30.2		 3ldwB-3q1oA:
26.78
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.
3LDW_B_ZOLB397_1 4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma cruzi 		ASP A 98
ASP A 102
ARG A 107
GLN A 167
LYS A 207
THR A 208
GLN A 247
ASP A 250
LYS A 264		 MG A 403 (-2.5A)
MG A 403 (-2.4A)
0MW A 404 (-2.7A)
0MW A 404 (-3.7A)
0MW A 404 (-2.8A)
IPE A 405 ( 4.6A)
0MW A 404 ( 3.8A)
MG A 401 (-2.7A)
0MW A 404 ( 3.0A)
 0.47A 3ldwB-4e1eA:
44.4		 3ldwB-4e1eA:
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.
3LDW_B_ZOLB397_1 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma
brucei 		ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269		 MG B1370 (-2.5A)
MG B1369 (-2.2A)
G76 B1368 (-2.8A)
G76 B1368 ( 4.1A)
G76 B1368 (-2.8A)
G76 B1368 (-4.2A)
G76 B1368 ( 4.0A)
MG B1371 ( 3.0A)
G76 B1368 (-3.1A)
 0.57A 3ldwB-5ahuB:
32.6		 3ldwB-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_B_ZOLB397_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.45A 3ldwB-6b07A:
42.7		 3ldwB-6b07A:
12.10
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.
3LDW_C_ZOLC397_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.36A 3ldwC-1rqjA:
29.1		 3ldwC-1rqjA:
24.39
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.
3LDW_C_ZOLC397_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.48A 3ldwC-3q1oA:
30.8		 3ldwC-3q1oA:
26.78
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.
3LDW_C_ZOLC397_1 4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma cruzi 		ASP A 98
ASP A 102
ARG A 107
GLN A 167
LYS A 207
THR A 208
GLN A 247
ASP A 250
LYS A 264		 MG A 403 (-2.5A)
MG A 403 (-2.4A)
0MW A 404 (-2.7A)
0MW A 404 (-3.7A)
0MW A 404 (-2.8A)
IPE A 405 ( 4.6A)
0MW A 404 ( 3.8A)
MG A 401 (-2.7A)
0MW A 404 ( 3.0A)
 0.56A 3ldwC-4e1eA:
45.0		 3ldwC-4e1eA:
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.
3LDW_C_ZOLC397_1 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma
brucei 		ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269		 MG B1370 (-2.5A)
MG B1369 (-2.2A)
G76 B1368 (-2.8A)
G76 B1368 ( 4.1A)
G76 B1368 (-2.8A)
G76 B1368 (-4.2A)
G76 B1368 ( 4.0A)
MG B1371 ( 3.0A)
G76 B1368 (-3.1A)
 0.66A 3ldwC-5ahuB:
32.8		 3ldwC-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_C_ZOLC397_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.49A 3ldwC-6b07A:
43.3		 3ldwC-6b07A:
12.10
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.
3LDW_D_ZOLD397_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.30A 3ldwD-1rqjA:
28.8		 3ldwD-1rqjA:
24.39
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.
3LDW_D_ZOLD397_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.46A 3ldwD-3q1oA:
29.9		 3ldwD-3q1oA:
26.78
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.
3LDW_D_ZOLD397_1 4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma cruzi 		ASP A 98
ASP A 102
ARG A 107
GLN A 167
LYS A 207
THR A 208
GLN A 247
ASP A 250
LYS A 264		 MG A 403 (-2.5A)
MG A 403 (-2.4A)
0MW A 404 (-2.7A)
0MW A 404 (-3.7A)
0MW A 404 (-2.8A)
IPE A 405 ( 4.6A)
0MW A 404 ( 3.8A)
MG A 401 (-2.7A)
0MW A 404 ( 3.0A)
 0.47A 3ldwD-4e1eA:
44.1		 3ldwD-4e1eA:
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.
3LDW_D_ZOLD397_1 5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

Trypanosoma
brucei 		ASP B 103
ASP B 107
ARG B 112
GLN B 172
LYS B 212
THR B 213
GLN B 252
ASP B 255
LYS B 269		 MG B1370 (-2.5A)
MG B1369 (-2.2A)
G76 B1368 (-2.8A)
G76 B1368 ( 4.1A)
G76 B1368 (-2.8A)
G76 B1368 (-4.2A)
G76 B1368 ( 4.0A)
MG B1371 ( 3.0A)
G76 B1368 (-3.1A)
 0.57A 3ldwD-5ahuB:
32.6		 3ldwD-5ahuB:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LDW_D_ZOLD397_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.44A 3ldwD-6b07A:
42.3		 3ldwD-6b07A:
12.10
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.
3M7R_A_VDXA425_2 6fob VITAMIN D3
RECEPTOR A

Danio rerio 		PHE A 182
LEU A 255
ILE A 299
ARG A 302
TRP A 314
TYR A 323
LEU A 341
TYR A 427
VAL A 444		 None
None
DZW A 501 (-4.7A)
DZW A 501 (-3.8A)
DZW A 501 (-3.5A)
DZW A 501 (-3.6A)
None
DZW A 501 (-4.9A)
None
 0.36A 3m7rA-6fobA:
37.4		 3m7rA-6fobA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ8_A_TOPA2001_1 2blb DIHYDROFOLATE
REDUCTASE-THYMIDYL
ATE SYNTHASE

Plasmodium vivax 		ILE A 13
ALA A 15
LEU A 45
ASP A 53
PHE A 57
SER A 120
ILE A 121
ILE A 173
THR A 194		 CP7 A1240 (-4.1A)
CP7 A1240 (-3.7A)
NDP A1239 (-4.8A)
CP7 A1240 (-3.1A)
CP7 A1240 ( 4.1A)
NDP A1239 (-3.6A)
MES A1241 ( 4.1A)
CP7 A1240 ( 3.8A)
CP7 A1240 (-4.1A)
 0.69A 3tq8A-2blbA:
20.1		 3tq8A-2blbA:
26.32
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.
3TVX_A_PNXA902_1 5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4B

Homo sapiens 		TYR A 405
LEU A 565
ASN A 567
PRO A 568
THR A 579
ILE A 582
MET A 603
GLN A 615
PHE A 618		 None
9VE A 801 (-4.7A)
9VE A 801 (-4.1A)
9VE A 801 (-3.9A)
9VE A 801 (-4.1A)
9VE A 801 (-4.1A)
9VE A 801 (-3.6A)
9VE A 801 (-3.2A)
9VE A 801 (-3.9A)
 0.60A 3tvxA-5ohjA:
54.7		 3tvxA-5ohjA:
13.25
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.
3TVX_A_PNXA902_1 5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
4D

Homo sapiens 		TYR A 159
LEU A 319
ASN A 321
PRO A 322
THR A 333
ILE A 336
MET A 357
GLN A 369
PHE A 372		 AKJ A 601 ( 4.7A)
AKJ A 601 ( 4.6A)
AKJ A 601 (-4.3A)
AKJ A 601 (-3.9A)
AKJ A 601 (-4.1A)
AKJ A 601 (-3.8A)
AKJ A 601 (-3.4A)
AKJ A 601 (-3.0A)
AKJ A 601 (-4.1A)
 0.48A 3tvxA-5wh6A:
52.3		 3tvxA-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.
4C5L_B_PXLB300_1 1jxi PHOSPHOMETHYLPYRIM
IDINE KINASE

Salmonella
enterica 		GLY A 11
ASP A 13
ALA A 18
GLY A 19
VAL A 42
MET A 80
VAL A 107
HIS A 209
CYH A 213		 HMH A2001 (-3.6A)
None
HMH A2001 ( 4.0A)
HMH A2001 ( 3.8A)
None
HMH A2001 ( 4.5A)
HMH A2001 ( 4.7A)
SO4 A2005 (-4.3A)
HMH A2001 (-3.6A)
 0.52A 4c5lB-1jxiA:
31.7		 4c5lB-1jxiA:
28.81
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.
4C66_A_H4CA1168_0 6dne BROMODOMAIN-CONTAI
NING PROTEIN 4

Homo sapiens 		TRP A 81
PRO A 82
GLN A 85
VAL A 87
LEU A 92
LEU A 94
ASN A 140
ILE A 146
MET A 149		 None
H1V A 501 (-4.6A)
H1V A 501 ( 4.5A)
H1V A 501 ( 4.4A)
H1V A 501 (-4.2A)
H1V A 501 (-4.7A)
H1V A 501 (-3.2A)
H1V A 501 (-3.8A)
H1V A 501 ( 3.8A)
 0.52A 4c66A-6dneA:
23.4		 4c66A-6dneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COQ_B_SANB300_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		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		 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
 0.23A 4coqB-3b1bA:
28.3		 4coqB-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.
4COQ_B_SANB300_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		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		 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
 0.20A 4coqB-6ekiA:
36.8		 4coqB-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.
4COQ_B_SANB300_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		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		 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
 0.31A 4coqB-6fe1A:
30.0		 4coqB-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.
4FE1_B_PQNB840_1 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Synechocystis sp.
PCC 6803 		MET b 659
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 b1807 ( 3.2A)
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)
 0.38A 4fe1B-5oy0b:
43.9		 4fe1B-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.
4IPM_A_ACTA503_0 5o5d GLUCANASE

Trichoderma
atroviride 		ASN A 141
ALA A 143
TYR A 145
TYR A 171
ASP A 173
GLU A 212
ASP A 214
GLU A 217
TRP A 367		 BTB A 604 (-3.7A)
BTB A 604 (-3.5A)
BTB A 604 (-3.8A)
None
BTB A 604 (-3.7A)
BTB A 604 (-2.7A)
BTB A 604 ( 3.4A)
BTB A 604 ( 3.0A)
GOL A 607 ( 3.5A)
 0.50A 4ipmA-5o5dA:
61.9		 4ipmA-5o5dA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IPM_A_ACTA503_0 5w0a GLUCANASE

Trichoderma
harzianum 		ASN A 142
ALA A 144
TYR A 146
TYR A 170
ASP A 172
GLU A 196
ASP A 198
GLU A 201
TRP A 320		 ASN A 142 ( 0.6A)
ALA A 144 ( 0.0A)
TYR A 146 ( 1.3A)
TYR A 170 ( 1.3A)
ASP A 172 ( 0.5A)
GLU A 196 ( 0.6A)
ASP A 198 (-0.6A)
GLU A 201 (-0.5A)
TRP A 320 ( 0.5A)
 0.55A 4ipmA-5w0aA:
48.2		 4ipmA-5w0aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IPM_A_ACTA503_0 5w11 GLUCANASE

Thermothelomyces
thermophila 		ASN A 142
ALA A 144
TYR A 146
TYR A 172
ASP A 174
GLU A 213
ASP A 215
GLU A 218
TRP A 372		 None
None
None
None
CTR A 506 ( 4.6A)
CTR A 506 ( 4.5A)
None
CTR A 506 ( 4.3A)
None
 0.52A 4ipmA-5w11A:
63.3		 4ipmA-5w11A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KFA_A_ZOLA404_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		LEU A 102
ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
GLN A 241
ASP A 244
LYS A 258		 None
MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.31A 4kfaA-1rqjA:
30.0		 4kfaA-1rqjA:
25.26
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.
4KFA_A_ZOLA404_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		LEU A 89
ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
GLN A 225
ASP A 228
LYS A 242		 DMA A 501 ( 4.8A)
MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.51A 4kfaA-3q1oA:
31.0		 4kfaA-3q1oA:
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.
4KPJ_A_210A901_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		LEU A 102
ASP A 105
ASP A 111
ARG A 116
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 None
MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.31A 4kpjA-1rqjA:
29.9		 4kpjA-1rqjA:
26.42
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.
4KPJ_A_210A901_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		LEU A 89
ASP A 92
ASP A 98
ARG A 103
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 DMA A 501 ( 4.8A)
MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.51A 4kpjA-3q1oA:
31.0		 4kpjA-3q1oA:
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.
4KPJ_A_210A901_1 4lls GERANYLTRANSTRANSF
ERASE

Roseobacter
denitrificans 		LEU A 77
ASP A 80
ASP A 86
ARG A 91
LYS A 178
THR A 179
GLN A 213
ASP A 216
LYS A 230		 None
CA A 304 ( 2.9A)
CA A 305 (-2.3A)
GST A 302 (-2.9A)
GST A 302 (-3.4A)
IPE A 301 (-4.2A)
IPE A 301 ( 4.1A)
CA A 303 (-2.9A)
GST A 302 (-2.7A)
 0.71A 4kpjA-4llsA:
29.2		 4kpjA-4llsA:
29.95
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.
4NKF_A_210A404_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		LEU A 102
ASP A 105
ASP A 111
ARG A 116
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 None
MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.38A 4nkfA-1rqjA:
30.0		 4nkfA-1rqjA:
25.91
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.
4NKF_A_210A404_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		LEU A 89
ASP A 92
ASP A 98
ARG A 103
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 DMA A 501 ( 4.8A)
MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.51A 4nkfA-3q1oA:
31.0		 4nkfA-3q1oA:
27.30
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.
4NKF_A_210A404_1 4lls GERANYLTRANSTRANSF
ERASE

Roseobacter
denitrificans 		LEU A 77
ASP A 80
ASP A 86
ARG A 91
LYS A 178
THR A 179
GLN A 213
ASP A 216
LYS A 230		 None
CA A 304 ( 2.9A)
CA A 305 (-2.3A)
GST A 302 (-2.9A)
GST A 302 (-3.4A)
IPE A 301 (-4.2A)
IPE A 301 ( 4.1A)
CA A 303 (-2.9A)
GST A 302 (-2.7A)
 0.66A 4nkfA-4llsA:
29.3		 4nkfA-4llsA:
29.05
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.
4OGU_A_210A405_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		LEU A 102
ASP A 105
ASP A 111
ARG A 116
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 None
MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.35A 4oguA-1rqjA:
29.7		 4oguA-1rqjA:
25.91
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.
4OGU_A_210A405_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		LEU A 89
ASP A 92
ASP A 98
ARG A 103
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 DMA A 501 ( 4.8A)
MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.47A 4oguA-3q1oA:
30.9		 4oguA-3q1oA:
27.30
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.
4OGU_A_210A405_1 4lls GERANYLTRANSTRANSF
ERASE

Roseobacter
denitrificans 		LEU A 77
ASP A 80
ASP A 86
ARG A 91
LYS A 178
THR A 179
GLN A 213
ASP A 216
LYS A 230		 None
CA A 304 ( 2.9A)
CA A 305 (-2.3A)
GST A 302 (-2.9A)
GST A 302 (-3.4A)
IPE A 301 (-4.2A)
IPE A 301 ( 4.1A)
CA A 303 (-2.9A)
GST A 302 (-2.7A)
 0.70A 4oguA-4llsA:
29.1		 4oguA-4llsA:
29.05
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.
4P0V_A_ZOLA401_1 1rqj GERANYLTRANSTRANSF
ERASE

Escherichia coli 		ASP A 105
ASP A 111
ARG A 116
GLN A 179
LYS A 202
THR A 203
GLN A 241
ASP A 244
LYS A 258		 MG A 907 (-2.5A)
MG A 909 (-2.4A)
RIS A 901 (-2.7A)
RIS A 901 (-3.2A)
RIS A 901 (-2.5A)
IPE A 900 ( 3.3A)
RIS A 901 ( 3.6A)
MG A 908 ( 2.7A)
RIS A 901 (-2.7A)
 0.31A 4p0vA-1rqjA:
31.2		 4p0vA-1rqjA:
27.90
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.
4P0V_A_ZOLA401_1 3q1o GERANYLTRANSTRANSF
ERASE (ISPA)

Helicobacter
pylori 		ASP A 92
ASP A 98
ARG A 103
GLN A 163
LYS A 186
THR A 187
GLN A 225
ASP A 228
LYS A 242		 MG A 400 ( 2.8A)
MG A 400 ( 3.2A)
DMA A 501 (-3.0A)
DMA A 501 (-3.6A)
DMA A 501 (-3.1A)
DMA A 500 (-3.4A)
DMA A 501 ( 3.8A)
DMA A 501 ( 3.5A)
DMA A 501 (-2.7A)
 0.48A 4p0vA-3q1oA:
31.4		 4p0vA-3q1oA:
26.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P0V_A_ZOLA401_1 6b07 FARNESYL
DIPHOSPHATE
SYNTHASE

Choristoneura
fumiferana 		ASP A 147
ASP A 151
ARG A 156
GLN A 215
LYS A 244
THR A 245
GLN A 284
ASP A 287
LYS A 301		 MG A 402 (-2.6A)
MG A 402 (-2.5A)
C6M A 401 (-2.7A)
C6M A 401 (-3.3A)
C6M A 401 (-2.6A)
C6M A 401 (-3.6A)
C6M A 401 (-3.7A)
MG A 404 ( 2.7A)
C6M A 401 (-2.9A)
 0.34A 4p0vA-6b07A:
47.7		 4p0vA-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.
4RKU_B_PQNB5002_1 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Synechocystis sp.
PCC 6803 		TRP b 22
MET b 659
SER b 663
TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702		 CLA b1841 ( 4.0A)
CLA b1807 ( 3.2A)
PQN b1844 (-3.7A)
None
None
PQN b1844 ( 3.4A)
PQN b1844 (-3.2A)
PQN b1844 ( 3.8A)
PQN b1844 (-3.1A)
 0.46A 4rkuB-5oy0b:
43.5		 4rkuB-5oy0b:
10.22
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.
4Y28_B_PQNB5002_1 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Synechocystis sp.
PCC 6803 		TRP b 22
MET b 659
SER b 663
TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702		 CLA b1841 ( 4.0A)
CLA b1807 ( 3.2A)
PQN b1844 (-3.7A)
None
None
PQN b1844 ( 3.4A)
PQN b1844 (-3.2A)
PQN b1844 ( 3.8A)
PQN b1844 (-3.1A)
 0.36A 4y28B-5oy0b:
44.2		 4y28B-5oy0b:
10.03
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.
5JN8_C_AZMC701_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY A 279 ( 4.7A)
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.40A 5jn8C-1y7wA:
23.4		 5jn8C-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_C_AZMC701_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN A 378 ( 4.5A)
None
None
 0.38A 5jn8C-3b1bA:
24.3		 5jn8C-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_C_AZMC701_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
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)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.35A 5jn8C-4g7aA:
27.7		 5jn8C-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_C_AZMC701_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.37A 5jn8C-6ekiA:
26.5		 5jn8C-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_C_AZMC701_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
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)
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.33A 5jn8C-6fe1A:
32.4		 5jn8C-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.
5JN9_C_EZLC302_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY A 279 ( 4.7A)
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.33A 5jn9C-1y7wA:
23.5		 5jn9C-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.
5JN9_C_EZLC302_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN A 378 ( 4.5A)
None
None
 0.30A 5jn9C-3b1bA:
24.3		 5jn9C-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.
5JN9_C_EZLC302_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
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)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.31A 5jn9C-4g7aA:
27.7		 5jn9C-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.
5JN9_C_EZLC302_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.30A 5jn9C-6ekiA:
26.5		 5jn9C-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.
5JN9_C_EZLC302_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
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)
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.37A 5jn9C-6fe1A:
32.4		 5jn9C-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_C_6LHC302_0 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY A 279 ( 4.7A)
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.34A 5jncC-1y7wA:
23.4		 5jncC-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_C_6LHC302_0 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN A 378 ( 4.5A)
None
None
 0.32A 5jncC-3b1bA:
24.3		 5jncC-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_C_6LHC302_0 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
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)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.31A 5jncC-4g7aA:
27.7		 5jncC-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_C_6LHC302_0 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.32A 5jncC-6ekiA:
26.5		 5jncC-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_C_6LHC302_0 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
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)
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.33A 5jncC-6fe1A:
32.3		 5jncC-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.
5JNC_D_6LHD302_0 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY A 279 ( 4.7A)
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.33A 5jncD-1y7wA:
23.5		 5jncD-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_D_6LHD302_0 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN A 378 ( 4.5A)
None
None
 0.30A 5jncD-3b1bA:
24.1		 5jncD-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_D_6LHD302_0 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
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)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.27A 5jncD-4g7aA:
27.5		 5jncD-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_D_6LHD302_0 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.31A 5jncD-6ekiA:
26.4		 5jncD-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_D_6LHD302_0 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
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)
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.33A 5jncD-6fe1A:
32.0		 5jncD-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.
5KU6_C_MZMC301_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY A 279 ( 4.7A)
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.39A 5ku6C-1y7wA:
23.5		 5ku6C-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.
5KU6_C_MZMC301_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN A 378 ( 4.5A)
None
None
 0.36A 5ku6C-3b1bA:
24.3		 5ku6C-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.
5KU6_C_MZMC301_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
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)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.33A 5ku6C-4g7aA:
27.7		 5ku6C-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.
5KU6_C_MZMC301_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.34A 5ku6C-6ekiA:
26.5		 5ku6C-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.
5KU6_C_MZMC301_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
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)
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.35A 5ku6C-6fe1A:
32.4		 5ku6C-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.
5KU6_D_MZMD301_1 1y7w HALOTOLERANT
ALPHA-TYPE
CARBONIC ANHYDRASE
(DCA II)

Dunaliella salina 		GLN A 113
HIS A 115
HIS A 117
HIS A 135
VAL A 137
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 ( 3.1A)
ACY A 279 ( 4.7A)
ACY A 279 (-4.3A)
ACY A 279 (-3.4A)
ACY A 279 ( 4.9A)
None
 0.38A 5ku6D-1y7wA:
23.5		 5ku6D-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.
5KU6_D_MZMD301_1 3b1b CARBONIC ANHYDRASE
1

Chlamydomonas
reinhardtii 		GLN A 161
HIS A 163
HIS A 165
HIS A 182
VAL A 184
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 (-3.1A)
None
None
ZN A 378 ( 4.5A)
None
None
 0.34A 5ku6D-3b1bA:
24.2		 5ku6D-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.
5KU6_D_MZMD301_1 4g7a CARBONATE
DEHYDRATASE

Sulfurihydrogenib
ium sp. YO3AOP1 		GLN A 87
HIS A 89
HIS A 91
HIS A 108
VAL A 110
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)
ZN A 301 ( 3.1A)
AZM A 302 (-4.7A)
AZM A 302 (-3.8A)
AZM A 302 (-3.4A)
AZM A 302 (-3.4A)
None
 0.31A 5ku6D-4g7aA:
27.5		 5ku6D-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.
5KU6_D_MZMD301_1 6eki CARBONIC ANHYDRASE

Persephonella
marina 		GLN A 115
HIS A 117
HIS A 119
HIS A 136
VAL A 138
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
ZN A 301 (-4.4A)
None
None
 0.33A 5ku6D-6ekiA:
26.4		 5ku6D-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.
5KU6_D_MZMD301_1 6fe1 CARBONIC ANHYDRASE
9

Homo sapiens 		GLN A 92
HIS A 94
HIS A 96
HIS A 119
VAL A 121
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)
V14 A 302 (-3.6A)
V14 A 302 (-3.2A)
V14 A 302 (-3.5A)
None
 0.35A 5ku6D-6fe1A:
32.0		 5ku6D-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.
5L8R_A_PQNA844_1 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

Synechocystis sp.
PCC 6803 		MET 1 684
PHE 1 685
SER 1 688
GLY 1 689
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723		 CLA 1 802 ( 3.2A)
PQN 1 842 (-3.8A)
PQN 1 842 (-3.4A)
PQN 1 842 ( 4.3A)
None
PQN 1 842 ( 3.3A)
PQN 1 842 (-3.2A)
PQN 1 842 ( 3.6A)
PQN 1 842 ( 3.9A)
 0.34A 5l8rA-5oy01:
44.7		 5l8rA-5oy01:
9.02
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.
5L8R_B_PQNB841_1 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Synechocystis sp.
PCC 6803 		TRP b 22
MET b 659
SER b 663
TRP b 664
ARG b 665
TRP b 668
ALA b 696
LEU b 697
ALA b 702		 CLA b1841 ( 4.0A)
CLA b1807 ( 3.2A)
PQN b1844 (-3.7A)
None
None
PQN b1844 ( 3.4A)
PQN b1844 (-3.2A)
PQN b1844 ( 3.8A)
PQN b1844 (-3.1A)
 0.52A 5l8rB-5oy0b:
44.9		 5l8rB-5oy0b:
9.61
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.
5V0I_A_TRPA402_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
MET A 132
ASP A 135
ILE A 136
VAL A 144
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.5A)
TRP A 501 (-3.9A)
None
None
TRP A 501 (-3.3A)
 0.61A 5v0iA-6dfuA:
45.7		 5v0iA-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0I_B_TRPB402_0 6dfu TRYPTOPHAN--TRNA
LIGASE

Haemophilus
influenzae 		GLY A 9
GLN A 11
VAL A 42
HIS A 45
MET A 132
ASP A 135
ILE A 136
VAL A 144
GLN A 150		 TRP A 501 (-3.5A)
TRP A 501 (-4.2A)
TRP A 501 ( 4.6A)
TRP A 501 (-4.0A)
TRP A 501 (-3.5A)
TRP A 501 (-3.9A)
None
None
TRP A 501 (-3.3A)
 0.61A 5v0iB-6dfuA:
44.7		 5v0iB-6dfuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGD_A_ESTA601_1 5toa ESTROGEN RECEPTOR
BETA

Homo sapiens 		MET A 295
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
HIS A 475
LEU A 476		 EST A 601 ( 4.4A)
EST A 601 ( 3.9A)
EST A 601 (-2.4A)
EST A 601 (-3.9A)
EST A 601 ( 4.8A)
EST A 601 ( 4.4A)
EST A 601 (-4.1A)
EST A 601 (-4.4A)
EST A 601 (-3.5A)
 0.31A 5wgdA-5toaA:
31.7		 5wgdA-5toaA:
29.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJS_B_SALB601_0 5cad SM80.1 VICILIN

Solanum melongena 		PHE A 228
MET A 249
TYR A 260
ASN A 262
ARG A 267
VAL A 269
PHE A 324
GLY A 336
LYS A 346		 ACT A 402 (-4.8A)
None
ACT A 402 (-4.5A)
ACT A 402 (-3.3A)
ACT A 402 (-3.9A)
None
None
None
ACT A 402 (-2.9A)
 0.34A 5yjsB-5cadA:
51.0		 5yjsB-5cadA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HQB_B_PQNB2002_0 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

Pisum sativum 		MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705		 CLA B9023 ( 3.3A)
PQN B5002 (-3.2A)
None
None
PQN B5002 ( 3.3A)
CLA B1238 (-3.9A)
PQN B5002 (-3.2A)
PQN B5002 (-3.7A)
PQN B5002 (-3.4A)
 0.33A 6hqbB-4rkuB:
42.5		 6hqbB-4rkuB:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUP_D_DZPD2001_0 6dw1


;
 		TYR D 58
ASN D 60
PHE D 77
PHE C 99
HIS C 101
TYR C 159
VAL C 202
SER C 204
TYR C 209		 None
 0.64A 6hupC-6dw1D:
29.5
6hupD-6dw1D:
28.8		 6hupC-6dw1D:
undetectable
6hupD-6dw1D:
undetectable