SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BGC'


List of Similar Pattern of Amino Acids

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

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CEA_A_ACAA90_1
(PLASMINOGEN)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		4 / 8 ASP A 298
ASP A 273
TYR A 377
THR A 315
 BGC  A 402 (-2.7A)
None
None
None
 1.47A 1ceaA-4rxuA:
undetectable
1ceaB-4rxuA:
undetectable		 1ceaA-4rxuA:
12.26
1ceaB-4rxuA:
12.26
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.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		 4f9o HEXOKINASE-1
(Homo
sapiens) 		5 / 10 ALA A 236
VAL A 386
ILE A 230
GLY A 233
PHE A 264
 None
None
None
BGC  A1001 ( 3.8A)
None
 1.01A 1d4sA-4f9oA:
undetectable		 1d4sA-4f9oA:
8.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		11 / 12 HIS A  98
TYR A 100
LEU A 194
TYR A 195
LEU A 197
ASP A 229
ALA A 230
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
None
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.47A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		9 / 12 HIS A  98
TYR A 100
TYR A 195
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.69A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		6 / 12 TYR A 100
LEU A 194
ASP A 229
HIS A 327
ASP A 371
ARG A 375
 GLC  A1695 ( 3.1A)
None
GLC  A1695 (-3.2A)
GLC  A1695 (-4.1A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 1.28A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 12 TYR A 100
LEU A 197
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
 GLC  A1695 ( 3.1A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
 1.34A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 TYR A  65
ASP A 202
HIS A 332
ASP A 333
ARG A 404
 BGC  A 605 (-3.7A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.5A)
 0.73A 1dedA-3wy2A:
28.3		 1dedA-3wy2A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
TYR A 182
ASP A 217
GLU A 246
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 1.16A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
TYR A 182
ASP A 217
HIS A 313
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 0.89A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		8 / 9 TYR A  97
TRP A 101
HIS A 140
ASP A 196
ARG A 227
LYS A 232
TRP A 258
PHE A 259
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
None
GLC  A1695 ( 4.1A)
GLC  A1693 ( 4.8A)
None
GLC  A1693 (-3.7A)
 0.40A 1dedA-1kclA:
64.3		 1dedA-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		12 / 12 HIS A  98
TYR A 100
TYR A 195
LEU A 197
ARG A 227
ASP A 229
ALA A 230
GLU A 257
PHE A 259
HIS A 327
ASP A 328
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1693 (-3.7A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-2.7A)
 0.53A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		6 / 12 TYR A 667
ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.80A 1dedB-2ya1A:
22.3		 1dedB-2ya1A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		7 / 12 TYR A  65
ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ARG A 404
 BGC  A 605 (-3.7A)
BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.5A)
 0.76A 1dedB-3wy2A:
27.8		 1dedB-3wy2A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		7 / 12 TYR A  65
ASP A 202
GLU A 271
PHE A 297
HIS A 332
ASP A 333
ARG A 404
 BGC  A 605 (-3.7A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
None
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.5A)
 1.07A 1dedB-3wy2A:
27.8		 1dedB-3wy2A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		10 / 12 HIS A 102
TYR A 104
TYR A 182
LEU A 184
ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.6A)
 0.80A 1dedB-4e2oA:
41.3		 1dedB-4e2oA:
25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 9 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
ASP A 371
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
BGC  A1696 (-3.5A)
 0.33A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		7 / 9 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
GLC  A1693 ( 4.8A)
 0.47A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
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.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3kzh PROBABLE SUGAR
KINASE
(Clostridium
perfringens) 		5 / 12 ILE A 180
ALA A 173
SER A 225
ILE A 224
ILE A 186
 None
None
BGC  A 329 (-3.1A)
None
None
 1.03A 1draA-3kzhA:
undetectable		 1draA-3kzhA:
19.22
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.
1E71_M_ASCM995_0
(MYROSINASE MA1)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		4 / 7 GLN A 140
TYR A 200
PHE A 203
PHE A 320
 BGC  A 351 (-2.8A)
BGC  A 351 (-4.3A)
None
BGC  A 351 ( 4.2A)
 0.95A 1e71M-1cenA:
20.6		 1e71M-1cenA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E72_M_ASCM995_0
(MYROSINASE MA1)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		4 / 7 GLN A 140
TYR A 200
PHE A 203
PHE A 320
 BGC  A 351 (-2.8A)
BGC  A 351 (-4.3A)
None
BGC  A 351 ( 4.2A)
 0.91A 1e72M-1cenA:
20.4		 1e72M-1cenA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E73_M_ASCM995_0
(MYROSINASE MA1)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		4 / 6 GLN A 140
TYR A 200
PHE A 203
PHE A 320
 BGC  A 351 (-2.8A)
BGC  A 351 (-4.3A)
None
BGC  A 351 ( 4.2A)
 0.95A 1e73M-1cenA:
20.7		 1e73M-1cenA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7A_B_PFLB4001_1
(SERUM ALBUMIN)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 9 LEU A 132
LEU A 304
VAL A 289
GLY A 290
LEU A 187
 BGC  A1001 ( 4.8A)
None
None
None
None
 1.12A 1e7aB-2q2rA:
1.7		 1e7aB-2q2rA:
20.10
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.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 1gu3 ENDOGLUCANASE C
(Cellulomonas
fimi) 		4 / 5 ARG A  75
ALA A 126
ASP A  90
GLY A  79
 BGC  A 601 (-3.0A)
BGC  A 602 ( 4.5A)
None
None
 0.90A 1e7bA-1gu3A:
undetectable		 1e7bA-1gu3A:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		4 / 5 ARG B 417
ALA B 416
ASP B 384
GLY B 412
 BGC  B 601 ( 4.8A)
None
None
None
 1.19A 1e7bA-5do8B:
undetectable		 1e7bA-5do8B:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 1gu3 ENDOGLUCANASE C
(Cellulomonas
fimi) 		4 / 5 ARG A  75
ALA A 126
ASP A  90
GLY A  79
 BGC  A 601 (-3.0A)
BGC  A 602 ( 4.5A)
None
None
 0.96A 1e7cA-1gu3A:
undetectable		 1e7cA-1gu3A:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 GLN A 113
ASP A 440
VAL A 436
GLY A 111
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
 1.27A 1ekjC-1ua4A:
undetectable
1ekjD-1ua4A:
undetectable		 1ekjC-1ua4A:
19.01
1ekjD-1ua4A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 6 ASP A 440
VAL A 436
GLY A 111
GLN A 113
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 1.27A 1ekjC-1ua4A:
undetectable
1ekjD-1ua4A:
undetectable		 1ekjC-1ua4A:
19.01
1ekjD-1ua4A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		4 / 6 TYR A 240
GLY A 284
GLY A 281
SER A 320
 BGC  A 402 ( 4.7A)
None
None
None
 0.98A 1eswA-1eceA:
2.6		 1eswA-1eceA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		5 / 12 SER A 169
VAL A 170
GLY A  44
TYR A 175
PHE A  39
 BGC  A 302 (-2.3A)
None
None
None
None
 0.98A 1fduC-5dzeA:
undetectable		 1fduC-5dzeA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 10 ALA A  13
LEU A 232
SER A 219
PHE A 222
ILE A  10
 None
BGC  A 601 (-3.8A)
None
None
None
 1.22A 1g5yC-4jsoA:
undetectable		 1g5yC-4jsoA:
17.44
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.
1G60_B_SAMB501_0
(ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA)		 5m63 L CHAIN OF FAB
NVS-1-19-5
(Oryctolagus
cuniculus) 		5 / 12 ASN L  54
ILE L  72
PHE L  95
GLY L  88
THR L  98
 BGC  L 303 ( 4.7A)
None
None
None
None
 1.48A 1g60B-5m63L:
undetectable		 1g60B-5m63L:
18.97
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.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)		 1q33 ADP-RIBOSE
PYROPHOSPHATASE
(Homo
sapiens) 		5 / 10 PRO A 213
GLY A 214
LEU A 253
PHE A 257
GLY A 232
 None
BGC  A 400 (-4.1A)
None
None
None
 1.32A 1h4oA-1q33A:
undetectable
1h4oB-1q33A:
undetectable		 1h4oA-1q33A:
21.43
1h4oB-1q33A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 6 PRO A 105
ASP A 333
ASP A 335
TRP A 336
 None
None
None
BGC  A1368 (-3.8A)
 1.50A 1hpkA-5a8qA:
undetectable		 1hpkA-5a8qA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 8 ARG A 169
VAL A 211
GLY A 212
TRP A 229
 BGC  A 709 ( 3.9A)
None
None
None
 0.97A 1hrkA-4tz5A:
undetectable		 1hrkA-4tz5A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_B_CHDB2502_0
(FERROCHELATASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 8 ARG A 169
VAL A 211
GLY A 212
TRP A 229
 BGC  A 709 ( 3.9A)
None
None
None
 0.95A 1hrkB-4tz5A:
undetectable		 1hrkB-4tz5A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 HIS A 332
ARG A 200
ASN A 331
TYR A 295
ASP A 333
 BGC  A 605 (-3.9A)
BGC  A 605 (-3.0A)
None
None
BGC  A 605 (-2.9A)
 1.35A 1ituA-3wy2A:
5.5		 1ituA-3wy2A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		 6da0 GLUCOKINASE
(Naegleria
fowleri) 		4 / 8 LEU A 203
TYR A 267
CYH A 271
GLY A 208
 None
None
None
BGC  A 500 (-3.6A)
 1.05A 1jlfA-6da0A:
3.1
1jlfB-6da0A:
4.9		 1jlfA-6da0A:
8.79
1jlfB-6da0A:
9.65
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.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 ALA A 412
VAL A 376
TRP A 380
 None
None
BGC  A 601 (-4.0A)
 0.87A 1jnoA-4jsoA:
undetectable		 1jnoA-4jsoA:
2.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 ALA A 412
VAL A 376
TRP A 380
 None
None
BGC  A 601 (-4.0A)
 0.87A 1jnoB-4jsoA:
undetectable		 1jnoB-4jsoA:
2.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_B_NOVB444_1
(DNA GYRASE SUBUNIT B)		 4i3g BETA-GLUCOSIDASE
(Streptomyces
venezuelae) 		5 / 12 GLU A 203
ASP A 581
ARG A 162
TYR A 683
ALA A 211
 None
None
BGC  A 901 (-3.0A)
None
None
 1.14A 1kijB-4i3gA:
undetectable		 1kijB-4i3gA:
19.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		10 / 12 TRP A  58
GLN A  63
HIS A 101
VAL A 163
GLY A 164
ALA A 198
GLU A 233
ILE A 235
ASP A 300
HIS A 305
 None
GLC  A 991 ( 3.7A)
AC1  A 992 ( 3.7A)
AC1  A 990 (-4.3A)
AC1  A 990 (-3.5A)
AC1  A 992 (-3.5A)
AC1  A 992 ( 2.7A)
BGC  A 993 (-3.9A)
AC1  A 992 (-3.0A)
GLC  A 991 ( 4.0A)
 0.46A 1kxhA-1oseA:
50.9		 1kxhA-1oseA:
47.90
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN
(Bifidobacterium
longum) 		5 / 12 GLN A 428
HIS A  68
ILE A 279
ASP A 281
HIS A 203
 None
BGC  A 801 (-4.0A)
None
BGC  A 801 (-2.8A)
BGC  A 801 (-3.9A)
 1.18A 1kxhA-5z9sA:
undetectable		 1kxhA-5z9sA:
11.14
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.
1LQT_B_ACTB1873_0
(FPRA)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		3 / 3 ASP B 328
ASP B 384
LYS B 292
 BGC  B 601 ( 2.8A)
None
BTB  B 603 (-2.7A)
 1.11A 1lqtB-5do8B:
undetectable		 1lqtB-5do8B:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_B_ACTB1430_0
(FPRA)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		3 / 3 ASP B 328
ASP B 384
LYS B 292
 BGC  B 601 ( 2.8A)
None
BTB  B 603 (-2.7A)
 1.07A 1lquB-5do8B:
undetectable		 1lquB-5do8B:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 4nfu EDS1
(Arabidopsis
thaliana) 		4 / 4 HIS A 168
ALA A 169
PHE A 166
GLY A 171
 None
None
None
BGC  A 701 ( 3.8A)
 1.43A 1mjoA-4nfuA:
undetectable		 1mjoA-4nfuA:
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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)		 4nfu EDS1
(Arabidopsis
thaliana) 		5 / 11 LEU A  66
PRO A  72
HIS A 168
ALA A 169
GLY A 171
 None
None
None
None
BGC  A 701 ( 3.8A)
 1.35A 1mjqA-4nfuA:
0.7
1mjqB-4nfuA:
undetectable		 1mjqA-4nfuA:
10.03
1mjqB-4nfuA:
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.
1MUI_B_AB1B100_2
(PROTEASE)		 1q33 ADP-RIBOSE
PYROPHOSPHATASE
(Homo
sapiens) 		6 / 12 GLY A 303
ALA A 306
ASP A 305
GLY A 215
VAL A 200
ILE A 202
 None
None
None
BGC  A 400 (-3.3A)
None
None
 1.40A 1muiB-1q33A:
undetectable		 1muiB-1q33A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		9 / 12 TRP A  58
TYR A  62
HIS A 101
ARG A 195
ASP A 197
LYS A 200
GLU A 233
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
AC1  A 992 ( 3.7A)
AC1  A 992 ( 3.7A)
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 2.7A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 0.71A 1mxdA-1oseA:
28.9		 1mxdA-1oseA:
22.05
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		9 / 12 TRP A  58
TYR A  62
HIS A 102
ARG A 174
ASP A 176
LYS A 179
GLU A 208
HIS A 268
ASP A 269
 None
ACI  A 504 ( 3.7A)
ACI  A 504 (-4.0A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
BGC  A 506 (-2.7A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.68A 1mxdA-1ua7A:
31.7		 1mxdA-1ua7A:
25.30
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		7 / 12 TYR A 667
HIS A 715
ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
BGC  A2144 (-4.2A)
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.58A 1mxdA-2ya1A:
19.0		 1mxdA-2ya1A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		7 / 12 TYR A  65
HIS A 105
ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
 BGC  A 605 (-3.7A)
BGC  A 605 (-3.9A)
BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
 0.34A 1mxdA-3wy2A:
22.6		 1mxdA-3wy2A:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		7 / 12 TYR A  65
HIS A 105
PHE A 166
ARG A 200
ASP A 202
HIS A 332
ASP A 333
 BGC  A 605 (-3.7A)
BGC  A 605 (-3.9A)
BGC  A 605 ( 3.8A)
BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
 0.94A 1mxdA-3wy2A:
22.6		 1mxdA-3wy2A:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 TYR A 104
HIS A 144
ARG A 215
ASP A 217
GLU A 246
TRP A 248
HIS A 313
ASP A 314
 ACI  A 505 (-4.1A)
ACI  A 505 (-3.9A)
ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
BGC  A 507 (-3.8A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.28A 1mxdA-4e2oA:
32.9		 1mxdA-4e2oA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 5j6y ANTIFREEZE PROTEIN
(Marinomonas
primoryensis) 		4 / 5 ASP A 111
SER A 130
ASP A  60
GLN A  27
 BGC  A 310 ( 2.5A)
BGC  A 310 ( 4.8A)
None
CA  A 302 (-3.2A)
 1.03A 1n2xB-5j6yA:
undetectable		 1n2xB-5j6yA:
19.13
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.
1N49_B_RITB301_1
(PROTEASE)		 1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE
(Arthrobacter
sp.
KM) 		4 / 7 ASN A 122
GLY A 152
ILE A 153
ALA A 127
 BGC  A 290 (-3.2A)
BGC  A 290 ( 3.7A)
None
None
 0.72A 1n49A-1woqA:
undetectable		 1n49A-1woqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 ALA A 412
VAL A 376
TRP A 380
 None
None
BGC  A 601 (-4.0A)
 0.85A 1ng8A-4jsoA:
undetectable		 1ng8A-4jsoA:
2.71
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 ALA A 412
VAL A 376
TRP A 380
 None
None
BGC  A 601 (-4.0A)
 0.85A 1ng8B-4jsoA:
undetectable		 1ng8B-4jsoA:
2.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_A_BEZA501_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE
(Pseudomonas
syringae
group
genomosp.
3) 		4 / 7 TYR A  18
ILE A  34
PRO A 112
GLU A 118
 BGC  A 127 (-3.1A)
BGC  A 127 (-4.0A)
None
BGC  A 127 (-3.5A)
 0.61A 1oniA-3k0tA:
23.1
1oniB-3k0tA:
23.1		 1oniA-3k0tA:
40.94
1oniB-3k0tA:
40.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_B_BEZB503_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE
(Pseudomonas
syringae
group
genomosp.
3) 		4 / 6 TYR A  18
ILE A  34
PRO A 112
GLU A 118
 BGC  A 127 (-3.1A)
BGC  A 127 (-4.0A)
None
BGC  A 127 (-3.5A)
 0.56A 1oniB-3k0tA:
23.1
1oniC-3k0tA:
23.3		 1oniB-3k0tA:
40.94
1oniC-3k0tA:
40.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_C_BEZC505_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE
(Pseudomonas
syringae
group
genomosp.
3) 		4 / 6 TYR A  18
ILE A  34
PRO A 112
GLU A 118
 BGC  A 127 (-3.1A)
BGC  A 127 (-4.0A)
None
BGC  A 127 (-3.5A)
 0.31A 1oniA-3k0tA:
23.1
1oniC-3k0tA:
23.3		 1oniA-3k0tA:
40.94
1oniC-3k0tA:
40.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_E_BEZE509_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE
(Pseudomonas
syringae
group
genomosp.
3) 		4 / 7 TYR A  18
ILE A  34
PRO A 112
GLU A 118
 BGC  A 127 (-3.1A)
BGC  A 127 (-4.0A)
None
BGC  A 127 (-3.5A)
 0.47A 1oniD-3k0tA:
23.3
1oniE-3k0tA:
23.4		 1oniD-3k0tA:
40.94
1oniE-3k0tA:
40.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ONI_I_BEZI517_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE
(Pseudomonas
syringae
group
genomosp.
3) 		4 / 7 TYR A  18
ILE A  34
PRO A 112
GLU A 118
 BGC  A 127 (-3.1A)
BGC  A 127 (-4.0A)
None
BGC  A 127 (-3.5A)
 0.63A 1oniG-3k0tA:
23.1
1oniI-3k0tA:
23.0		 1oniG-3k0tA:
40.94
1oniI-3k0tA:
40.94
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		 4avo BETA-1,4-EXOCELLULAS
E
(Thermobifida
fusca) 		5 / 11 ALA A 365
HIS A 326
ASP A 323
ILE A 273
VAL A 404
 BGC  A 602 (-3.4A)
BGC  A 604 (-4.2A)
None
BGC  A 602 (-4.3A)
None
 1.13A 1pg2A-4avoA:
undetectable		 1pg2A-4avoA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 8 ASP A 333
ASP A 335
TRP A 336
HIS A 107
 None
None
BGC  A1368 (-3.8A)
BGC  A1368 (-3.9A)
 1.18A 1pk2A-5a8qA:
undetectable		 1pk2A-5a8qA:
15.05
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 1w9w BH0236 PROTEIN
(Bacillus
halodurans) 		3 / 3 GLU A  29
ASN A 132
TRP A 102
 BGC  A 601 (-2.8A)
BGC  A 601 (-2.8A)
None
 1.30A 1r15C-1w9wA:
undetectable		 1r15C-1w9wA:
18.03
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 3act CELLOBIOSE
PHOSPHORYLASE
(Cellulomonas
gilvus) 		3 / 3 GLU A 659
ASN A 489
TRP A 488
 BGC  A2901 (-2.8A)
None
K  A2903 (-4.0A)
 1.01A 1r15C-3actA:
undetectable		 1r15C-3actA:
15.03
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.02A 1r15C-5dzeA:
undetectable		 1r15C-5dzeA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC439_0
(ADP-RIBOSYL CYCLASE)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 TRP A 411
PHE A 408
TRP A 380
 None
BGC  A 603 (-4.6A)
BGC  A 601 (-4.0A)
 1.47A 1r15C-4jsoA:
undetectable		 1r15C-4jsoA:
18.63
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 3act CELLOBIOSE
PHOSPHORYLASE
(Cellulomonas
gilvus) 		3 / 3 GLU A 659
ASN A 489
TRP A 488
 BGC  A2901 (-2.8A)
None
K  A2903 (-4.0A)
 1.04A 1r15D-3actA:
undetectable		 1r15D-3actA:
15.03
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.00A 1r15D-5dzeA:
undetectable		 1r15D-5dzeA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 3act CELLOBIOSE
PHOSPHORYLASE
(Cellulomonas
gilvus) 		3 / 3 GLU A 659
ASN A 489
TRP A 488
 BGC  A2901 (-2.8A)
None
K  A2903 (-4.0A)
 1.03A 1r15E-3actA:
undetectable		 1r15E-3actA:
15.03
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.03A 1r15E-5dzeA:
undetectable		 1r15E-5dzeA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 3act CELLOBIOSE
PHOSPHORYLASE
(Cellulomonas
gilvus) 		3 / 3 GLU A 659
ASN A 489
TRP A 488
 BGC  A2901 (-2.8A)
None
K  A2903 (-4.0A)
 1.00A 1r15F-3actA:
undetectable		 1r15F-3actA:
15.03
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		3 / 3 GLU A  93
ASN A  73
TRP A 181
 BGC  A 305 ( 2.5A)
GLC  A 301 (-3.3A)
BGC  A 305 (-3.2A)
 1.00A 1r15F-5dzeA:
undetectable		 1r15F-5dzeA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_F_NCAF469_0
(ADP-RIBOSYL CYCLASE)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 TRP A 411
PHE A 408
TRP A 380
 None
BGC  A 603 (-4.6A)
BGC  A 601 (-4.0A)
 1.44A 1r15F-4jsoA:
undetectable		 1r15F-4jsoA:
18.63
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.
1R15_G_NCAG479_0
(ADP-RIBOSYL CYCLASE)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 TRP A 411
PHE A 408
TRP A 380
 None
BGC  A 603 (-4.6A)
BGC  A 601 (-4.0A)
 1.45A 1r15G-4jsoA:
undetectable		 1r15G-4jsoA:
18.63
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.
1R15_H_NCAH489_0
(ADP-RIBOSYL CYCLASE)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		3 / 3 TRP A 411
PHE A 408
TRP A 380
 None
BGC  A 603 (-4.6A)
BGC  A 601 (-4.0A)
 1.45A 1r15H-4jsoA:
undetectable		 1r15H-4jsoA:
18.63
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.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 6da0 GLUCOKINASE
(Naegleria
fowleri) 		5 / 12 TYR A 259
THR A 127
ASN A 128
ASP A 269
ILE A 258
 None
BGC  A 500 (-3.0A)
BGC  A 500 (-4.0A)
None
None
 1.14A 1r30A-6da0A:
undetectable		 1r30A-6da0A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 1js4 ENDO/EXOCELLULASE E4
(Thermobifida
fusca) 		4 / 8 VAL A  60
ARG A 317
GLU A 424
ASP A  58
 None
BGC  A6003 (-2.7A)
None
None
 1.12A 1s3zA-1js4A:
undetectable
1s3zB-1js4A:
undetectable		 1s3zA-1js4A:
13.85
1s3zB-1js4A:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		5 / 12 SER A  17
ILE A  21
LEU A  67
GLY A 418
VAL A 422
 BGC  A 501 ( 4.9A)
None
None
None
None
 1.12A 1tlsA-4ptxA:
undetectable		 1tlsA-4ptxA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 3qom 6-PHOSPHO-BETA-GLUCO
SIDASE
(Lactobacillus
plantarum) 		4 / 7 TYR A 398
HIS A 402
LEU A 356
TYR A 317
 None
None
None
BGC  A 479 ( 4.8A)
 1.18A 1tuvA-3qomA:
undetectable		 1tuvA-3qomA:
13.46
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		4 / 7 TYR A 377
HIS A 381
LEU A 334
TYR A 296
 None
None
None
BGC  A 501 (-4.1A)
 1.14A 1tuvA-4ptxA:
undetectable		 1tuvA-4ptxA:
12.20
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.
1UOB_A_PNNA1311_1
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		3 / 3 ARG B 413
ARG B 417
ILE B 408
 BGC  B 601 ( 3.1A)
BGC  B 601 ( 4.8A)
None
 0.82A 1uobA-5do8B:
undetectable		 1uobA-5do8B:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 7 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.21A 1v55C-4w8bA:
undetectable
1v55N-4w8bA:
undetectable
1v55P-4w8bA:
undetectable		 1v55C-4w8bA:
22.14
1v55N-4w8bA:
19.46
1v55P-4w8bA:
22.14
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.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 1v8bD-2wabA:
4.0		 1v8bD-2wabA:
20.20
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.
1VE3_A_SAMA302_1
(HYPOTHETICAL PROTEIN
PH0226)		 1js4 ENDO/EXOCELLULASE E4
(Thermobifida
fusca) 		4 / 4 TYR A 429
ARG A 317
ASP A  58
ASP A 120
 None
BGC  A6003 (-2.7A)
None
None
 1.39A 1ve3A-1js4A:
0.0		 1ve3A-1js4A:
16.22
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.
1VE3_A_SAMA302_1
(HYPOTHETICAL PROTEIN
PH0226)		 5gy0 GLUCANASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 TYR A 440
ARG A 329
ASP A  79
ASP A 140
 None
BGC  A 709 ( 2.8A)
BGC  A 710 ( 4.5A)
None
 1.40A 1ve3A-5gy0A:
undetectable		 1ve3A-5gy0A:
16.18
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.
1VE3_B_SAMB301_1
(HYPOTHETICAL PROTEIN
PH0226)		 1js4 ENDO/EXOCELLULASE E4
(Thermobifida
fusca) 		4 / 4 TYR A 429
ARG A 317
ASP A  58
ASP A 120
 None
BGC  A6003 (-2.7A)
None
None
 1.42A 1ve3B-1js4A:
undetectable		 1ve3B-1js4A:
16.22
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.
1VE3_B_SAMB301_1
(HYPOTHETICAL PROTEIN
PH0226)		 5gy0 GLUCANASE
(Ruminiclostridiu
m
thermocellum) 		4 / 4 TYR A 440
ARG A 329
ASP A  79
ASP A 140
 None
BGC  A 709 ( 2.8A)
BGC  A 710 ( 4.5A)
None
 1.43A 1ve3B-5gy0A:
undetectable		 1ve3B-5gy0A:
16.18
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.
1VM1_A_TAZA504_1
(BETA-LACTAMASE SHV-1)		 1dbn PROTEIN
(LEUKOAGGLUTININ)
(Maackia
amurensis) 		3 / 3 ASP A 137
TYR A 136
GLU A 224
 GAL  A 823 ( 3.1A)
GAL  A 823 ( 4.0A)
BGC  A 824 (-2.8A)
 0.82A 1vm1A-1dbnA:
0.0		 1vm1A-1dbnA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		3 / 3 PHE A 105
TYR A  64
TYR A  66
 None
BGC  A 303 (-4.1A)
None
 0.89A 1x70B-1w2uA:
0.5		 1x70B-1w2uA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 4f9o HEXOKINASE-1
(Homo
sapiens) 		3 / 3 MET A 491
ASN A 683
GLN A 739
 None
BGC  A1003 (-3.9A)
BGC  A1003 (-4.4A)
 0.78A 1xoqB-4f9oA:
undetectable		 1xoqB-4f9oA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 4qs9 HEXOKINASE-1
(Arabidopsis
thaliana) 		3 / 3 MET A  62
ASN A 256
GLN A 312
 None
BGC  A 501 (-3.7A)
BGC  A 501 ( 4.4A)
 0.77A 1xoqB-4qs9A:
undetectable		 1xoqB-4qs9A:
22.51
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.
1XR2_B_C2FB1201_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		4 / 8 THR A 207
SER A 476
ARG A 146
GLU A 152
 None
None
None
BGC  A 802 ( 4.9A)
 1.36A 1xr2B-4zo6A:
4.4		 1xr2B-4zo6A:
22.90
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.
1XVA_B_SAMB293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4au0 EXOGLUCANASE 2
(Trichoderma
reesei) 		5 / 12 TYR A 317
ASP A 401
ASN A 302
HIS A 266
ILE A 311
 None
None
None
BGC  A 601 (-4.0A)
None
 1.41A 1xvaB-4au0A:
undetectable		 1xvaB-4au0A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC
([Bacillus]
selenitireducens) 		5 / 12 PHE A 332
GLY A 318
GLY A 321
LEU A  73
SER A  74
 BGC  A 801 (-3.7A)
None
None
None
None
 0.97A 1ya4A-4ktpA:
undetectable		 1ya4A-4ktpA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YNN_C_RFPC1120_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		5 / 12 ASP A 277
ARG A 200
HIS A 190
ARG A 156
LEU A  95
 BGC  A 946 (-2.8A)
BGC  A 946 (-3.9A)
BGC  A 946 (-3.7A)
BGC  A 946 (-2.9A)
None
 1.27A 1ynnC-5ju6A:
undetectable		 1ynnC-5ju6A:
22.09
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.
2A3B_A_CFFA1433_1
(CHITINASE)		 5f84 O-GLUCOSYLTRANSFERAS
E RUMI
(Drosophila
melanogaster) 		4 / 5 TRP A 184
TYR A 181
ASP A 151
PHE A 122
 None
None
BGC  B 101 (-2.9A)
None
 1.19A 2a3bA-5f84A:
undetectable		 2a3bA-5f84A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3C_B_PNXB2434_1
(CHITINASE)		 4gzi GLUCAN
ENDO-1,3-BETA-D-GLUC
OSIDASE
(Solanum
tuberosum) 		4 / 6 TYR A  47
GLY A 261
PHE A 305
SER A 260
 None
None
BGC  A 401 (-3.8A)
None
 1.24A 2a3cB-4gziA:
8.0		 2a3cB-4gziA:
22.97
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.
2AOW_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC
([Bacillus]
selenitireducens) 		4 / 7 GLU A 475
GLN A 413
TYR A 378
GLU A 389
 BGC  A 801 (-3.3A)
None
None
None
 1.36A 2aowA-4ktpA:
undetectable		 2aowA-4ktpA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		 3kzh PROBABLE SUGAR
KINASE
(Clostridium
perfringens) 		5 / 12 ILE A 180
ALA A 173
SER A 225
ILE A 224
ILE A 186
 None
None
BGC  A 329 (-3.1A)
None
None
 1.04A 2drcA-3kzhA:
undetectable		 2drcA-3kzhA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		4 / 6 TYR A  65
ASP A  62
PHE A 166
THR A 203
 BGC  A 605 (-3.7A)
BGC  A 605 (-2.7A)
BGC  A 605 ( 3.8A)
BGC  A 605 ( 4.2A)
 1.26A 2dttB-3wy2A:
undetectable
2dttC-3wy2A:
undetectable		 2dttB-3wy2A:
14.55
2dttC-3wy2A:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F81_A_017A302_1
(POL POLYPROTEIN)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 12 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 0.98A 2f81A-2q2rA:
undetectable		 2f81A-2q2rA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FXD_A_DR7A102_1
(POL PROTEIN)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 11 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 0.95A 2fxdA-2q2rA:
undetectable		 2fxdA-2q2rA:
14.02
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 4gzi GLUCAN
ENDO-1,3-BETA-D-GLUC
OSIDASE
(Solanum
tuberosum) 		4 / 8 TYR A 201
GLU A 310
TYR A  58
GLY A  31
 BGC  A 401 (-4.2A)
BGC  A 402 (-2.8A)
BGC  A 402 (-3.5A)
BGC  A 402 ( 3.7A)
 1.07A 2ha4A-4gziA:
undetectable		 2ha4A-4gziA:
20.37
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.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 4gzi GLUCAN
ENDO-1,3-BETA-D-GLUC
OSIDASE
(Solanum
tuberosum) 		4 / 7 TYR A 201
GLU A 310
TYR A  58
GLY A  31
 BGC  A 401 (-4.2A)
BGC  A 402 (-2.8A)
BGC  A 402 (-3.5A)
BGC  A 402 ( 3.7A)
 1.09A 2ha4B-4gziA:
undetectable		 2ha4B-4gziA:
20.37
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.
2HS2_A_017A201_1
(PROTEASE)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 12 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 0.98A 2hs2A-2q2rA:
undetectable		 2hs2A-2q2rA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS2_A_017A201_2
(PROTEASE)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 12 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 0.95A 2hs2B-2q2rA:
undetectable		 2hs2B-2q2rA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		5 / 12 PHE A 239
ALA A 452
SER A 448
ALA A 456
GLY A 451
 None
None
BGC  A1526 ( 4.9A)
None
None
 1.23A 2igtC-2wzfA:
undetectable		 2igtC-2wzfA:
20.37
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.
2J2P_B_SC2B1290_1
(FICOLIN-2)		 4f9o HEXOKINASE-1
(Homo
sapiens) 		4 / 8 SER A 449
LEU A  93
ASP A  84
ASP A 209
 0NZ  A1002 (-2.8A)
None
0NZ  A1002 (-2.7A)
BGC  A1001 ( 3.0A)
 1.10A 2j2pA-4f9oA:
undetectable
2j2pB-4f9oA:
undetectable		 2j2pA-4f9oA:
13.24
2j2pB-4f9oA:
13.24
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.
2J2P_F_SC2F1291_1
(FICOLIN-2)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 6 LEU A 805
ASP A 710
ASP A 778
GLU A 592
 None
None
BGC  A2144 (-2.8A)
None
 0.95A 2j2pE-2ya1A:
undetectable
2j2pF-2ya1A:
undetectable		 2j2pE-2ya1A:
11.54
2j2pF-2ya1A:
11.54
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.
2NMZ_B_ROCB401_1
(PROTEASE)		 1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE
(Arthrobacter
sp.
KM) 		6 / 12 LEU A 246
GLY A 254
ALA A 126
ASP A 123
ILE A 158
ALA A 244
 None
None
None
BGC  A 290 (-2.9A)
None
None
 1.32A 2nmzA-1woqA:
undetectable		 2nmzA-1woqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NMZ_B_ROCB401_3
(PROTEASE)		 1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE
(Arthrobacter
sp.
KM) 		6 / 12 LEU A 246
GLY A 254
ALA A 126
ASP A 123
ILE A 158
ALA A 244
 None
None
None
BGC  A 290 (-2.9A)
None
None
 1.32A 2nmzB-1woqA:
undetectable		 2nmzB-1woqA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_D_SAMD300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		6 / 12 GLY A  95
ASP A 384
GLY A 420
GLY A 423
GLU A 452
HIS A 481
 None
None
None
None
None
BGC  A 707 (-4.2A)
 1.36A 2oxtD-4tz5A:
undetectable		 2oxtD-4tz5A:
18.46
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.
2OZ7_A_CA4A1_2
(ANDROGEN RECEPTOR)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		4 / 6 TRP A 271
MET A 303
MET A 302
LEU A  25
 BGC  A 801 ( 3.8A)
None
BGC  A 802 ( 3.7A)
None
 1.22A 2oz7A-4zo6A:
undetectable		 2oz7A-4zo6A:
15.16
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1gu3 ENDOGLUCANASE C
(Cellulomonas
fimi) 		5 / 12 GLY A  20
ALA A 126
GLN A 128
GLN A 124
GLY A 130
 None
BGC  A 602 ( 4.5A)
BGC  A 601 (-3.6A)
BGC  A 602 ( 2.8A)
None
 0.83A 2pkkA-1gu3A:
undetectable		 2pkkA-1gu3A:
20.62
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
ALA A 268
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
BGC  A2457 ( 4.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.95A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.37A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 1gu3 ENDOGLUCANASE C
(Cellulomonas
fimi) 		5 / 12 GLY A  20
ALA A 126
GLN A 128
GLN A 124
GLY A 130
 None
BGC  A 602 ( 4.5A)
BGC  A 601 (-3.6A)
BGC  A 602 ( 2.8A)
None
 0.83A 2pkmA-1gu3A:
undetectable		 2pkmA-1gu3A:
20.62
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.
2PKM_A_ADNA501_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.37A 2pkmA-1ua4A:
19.0		 2pkmA-1ua4A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 2y6g XYLANASE
(Rhodothermus
marinus) 		3 / 3 ASP A  29
THR A  13
PRO A  14
 BGC  A1173 (-3.7A)
None
None
 0.68A 2pynB-2y6gA:
undetectable		 2pynB-2y6gA:
18.97
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		3 / 3 ARG X  93
ASN X 237
THR X 215
 None
BGC  X 501 (-3.8A)
None
 0.88A 2q63A-3b8aX:
undetectable		 2q63A-3b8aX:
13.08
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2y6g XYLANASE
(Rhodothermus
marinus) 		3 / 3 ASP A  29
THR A  13
PRO A  14
 BGC  A1173 (-3.7A)
None
None
 0.67A 2qakB-2y6gA:
undetectable		 2qakB-2y6gA:
17.44
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		4 / 8 SER A 227
VAL A 260
GLY A 261
MET A 263
 BGC  A1337 (-4.7A)
None
None
BGC  A1337 (-4.5A)
 1.08A 2qd3A-2wabA:
3.7		 2qd3A-2wabA:
18.61
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		5 / 12 GLU A 159
ILE A 512
TYR A 511
ASP A 280
MET A 245
 None
None
BGC  A 943 (-3.8A)
BGC  A 942 (-2.9A)
BGC  A 942 (-4.0A)
 1.34A 2qeoA-4iigA:
undetectable		 2qeoA-4iigA:
9.65
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.
2QMZ_B_LDPB502_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 5 GLN A 150
PHE A 152
TRP A 444
GLY A 421
 BGC  A 707 ( 4.6A)
BGC  A 707 (-4.9A)
None
None
 0.94A 2qmzA-4tz5A:
undetectable
2qmzB-4tz5A:
undetectable		 2qmzA-4tz5A:
17.43
2qmzB-4tz5A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMZ_B_LDPB502_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 5m60 BETA-1,3-GLUCANASE
(Chaetomium
thermophilum) 		4 / 5 PHE A 162
PHE A 163
TRP A 590
GLY A 543
 BGC  A 901 (-4.9A)
None
None
None
 1.40A 2qmzA-5m60A:
undetectable
2qmzB-5m60A:
undetectable		 2qmzA-5m60A:
15.38
2qmzB-5m60A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMZ_B_LDPB502_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 5m60 BETA-1,3-GLUCANASE
(Chaetomium
thermophilum) 		4 / 5 PHE A 162
PHE A 163
TRP A 590
GLY A 544
 BGC  A 901 (-4.9A)
None
None
None
 1.37A 2qmzA-5m60A:
undetectable
2qmzB-5m60A:
undetectable		 2qmzA-5m60A:
15.38
2qmzB-5m60A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3act CELLOBIOSE
PHOSPHORYLASE
(Cellulomonas
gilvus) 		4 / 7 GLY A 732
CYH A 665
GLN A 712
PHE A 664
 PO4  A2902 (-3.5A)
None
PO4  A2902 (-3.8A)
BGC  A2901 (-4.7A)
 1.22A 2qx4A-3actA:
undetectable
2qx4B-3actA:
undetectable		 2qx4A-3actA:
14.55
2qx4B-3actA:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX6_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 6 TRP A 444
GLY A 421
GLN A 150
PHE A 152
 None
None
BGC  A 707 ( 4.6A)
BGC  A 707 (-4.9A)
 0.90A 2qx6A-4tz5A:
undetectable
2qx6B-4tz5A:
undetectable		 2qx6A-4tz5A:
17.43
2qx6B-4tz5A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RCT_A_RTLA140_1
(RETINOL-BINDING
PROTEIN II, CELLULAR)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		3 / 3 GLN A 218
THR A 596
TRP A 196
 None
BGC  A 703 (-3.5A)
BGC  A 703 (-3.7A)
 1.08A 2rctA-4tz5A:
undetectable		 2rctA-4tz5A:
14.71
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.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		3 / 3 ASN A 293
ASN A 271
ARG A 502
 BGC  A1526 (-3.0A)
None
None
 0.72A 2rlcA-2wzfA:
undetectable		 2rlcA-2wzfA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		6 / 12 MET A  88
THR A  77
THR A  66
GLY A  65
GLY A 301
LEU A 141
 None
None
None
None
None
BGC  A 942 ( 3.9A)
 1.39A 2uvnA-4iigA:
undetectable		 2uvnA-4iigA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		6 / 12 ASN A 161
GLU A 162
HIS A 238
TYR A 240
GLU A 282
TRP A 319
 BGC  A 403 (-3.5A)
BGC  A 402 ( 2.5A)
None
BGC  A 402 ( 4.7A)
BGC  A 403 (-2.8A)
BGC  A 403 ( 4.2A)
 0.73A 2v3dA-1eceA:
6.6		 2v3dA-1eceA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		5 / 12 ASN A 296
GLU A 297
HIS A 371
TYR A 373
GLU A 430
 BGC  A1518 (-2.8A)
BGC  A1518 (-2.6A)
BGC  A1518 ( 4.8A)
BGC  A1518 ( 4.4A)
GLC  A1519 (-2.8A)
 0.50A 2v3dA-3zmrA:
16.0		 2v3dA-3zmrA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE
(uncultured
bacterium) 		6 / 12 ASN A 239
GLU A 240
HIS A 314
TYR A 316
GLU A 362
TRP A 395
 None
BGC  A 502 ( 3.2A)
None
None
None
None
 0.85A 2v3dA-4w87A:
18.1		 2v3dA-4w87A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 4yzt CELLULOSE HYDROLASE
(Bacillus
licheniformis) 		6 / 12 ASN A 158
GLU A 159
HIS A 220
TYR A 222
GLU A 268
TRP A 301
 BGC  A 803 (-2.9A)
BGC  A 803 (-2.4A)
BGC  A 803 (-4.3A)
BGC  A 803 ( 4.9A)
BGC  A 803 (-2.8A)
BGC  A 803 (-3.6A)
 0.75A 2v3dA-4yztA:
17.3		 2v3dA-4yztA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_A_NBVA1503_1
(GLUCOSYLCERAMIDASE)		 5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE
(Rhodococcus
hoagii) 		5 / 12 ASN A 213
GLU A 214
HIS A 291
TYR A 293
TRP A 365
 BGC  A 604 (-3.2A)
18C  A 607 (-3.0A)
None
18C  A 607 (-4.0A)
BGC  A 604 (-3.6A)
 0.57A 2v3dA-5j7zA:
7.0		 2v3dA-5j7zA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		5 / 11 ASN A 161
GLU A 162
TYR A 240
GLU A 282
TRP A 319
 BGC  A 403 (-3.5A)
BGC  A 402 ( 2.5A)
BGC  A 402 ( 4.7A)
BGC  A 403 (-2.8A)
BGC  A 403 ( 4.2A)
 0.83A 2v3dB-1eceA:
11.5		 2v3dB-1eceA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 3qom 6-PHOSPHO-BETA-GLUCO
SIDASE
(Lactobacillus
plantarum) 		5 / 11 ASN A 179
GLU A 180
TYR A 317
GLU A 375
TRP A 423
 None
BGC  A 479 (-2.9A)
BGC  A 479 ( 4.8A)
None
None
 0.87A 2v3dB-3qomA:
15.3		 2v3dB-3qomA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 4hz8 BETA-GLUCOSIDASE
(uncultured
bacterium) 		5 / 11 ASN A 202
GLU A 203
TYR A 332
GLU A 387
TRP A 434
 BGC  A 501 (-3.1A)
BGC  A 501 (-2.3A)
BGC  A 501 (-4.3A)
BGC  A 501 (-2.6A)
BGC  A 501 (-3.6A)
 0.85A 2v3dB-4hz8A:
16.8		 2v3dB-4hz8A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		5 / 11 ASN A 165
GLU A 166
TYR A 296
GLU A 354
TRP A 401
 BGC  A 501 (-3.3A)
BGC  A 501 (-2.4A)
BGC  A 501 (-4.1A)
BGC  A 501 (-2.7A)
BGC  A 501 (-3.6A)
 0.85A 2v3dB-4ptxA:
16.1		 2v3dB-4ptxA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V3D_B_NBVB1504_1
(GLUCOSYLCERAMIDASE)		 4yzt CELLULOSE HYDROLASE
(Bacillus
licheniformis) 		5 / 11 ASN A 158
GLU A 159
TYR A 222
GLU A 268
TRP A 301
 BGC  A 803 (-2.9A)
BGC  A 803 (-2.4A)
BGC  A 803 ( 4.9A)
BGC  A 803 (-2.8A)
BGC  A 803 (-3.6A)
 0.86A 2v3dB-4yztA:
17.4		 2v3dB-4yztA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VL2_A_BEZA1162_0
(PEROXIREDOXIN-5)		 1q33 ADP-RIBOSE
PYROPHOSPHATASE
(Homo
sapiens) 		5 / 10 PRO A 213
GLY A 214
LEU A 253
PHE A 257
GLY A 232
 None
BGC  A 400 (-4.1A)
None
None
None
 1.26A 2vl2A-1q33A:
undetectable
2vl2C-1q33A:
0.0		 2vl2A-1q33A:
22.00
2vl2C-1q33A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VQY_A_PARA1201_2
(AAC(6')-IB)		 2bod ENDOGLUCANASE E-2
(Thermobifida
fusca) 		3 / 3 TRP X  97
GLN X  49
TRP X  41
 None
None
BGC  X1290 ( 3.5A)
 1.36A 2vqyA-2bodX:
0.0		 2vqyA-2bodX:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)		 3k0t ENDORIBONUCLEASE
L-PSP, PUTATIVE
(Pseudomonas
syringae
group
genomosp.
3) 		4 / 9 ILE A  51
ALA A 115
VAL A 117
GLU A 118
 None
None
None
BGC  A 127 (-3.5A)
 0.86A 2vufA-3k0tA:
undetectable		 2vufA-3k0tA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VXA_A_RBFA200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 TYR A 479
ARG A 471
GLN A 285
ARG A 715
 None
BGC  A 915 ( 2.8A)
None
None
 1.45A 2vxaA-5ej1A:
undetectable
2vxaC-5ej1A:
undetectable
2vxaE-5ej1A:
undetectable		 2vxaA-5ej1A:
10.05
2vxaC-5ej1A:
10.05
2vxaE-5ej1A:
10.05
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.
2VXA_B_RBFB200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 GLN A 285
TYR A 479
ARG A 471
ARG A 715
 None
None
BGC  A 915 ( 2.8A)
None
 1.42A 2vxaA-5ej1A:
undetectable
2vxaB-5ej1A:
undetectable
2vxaK-5ej1A:
undetectable		 2vxaA-5ej1A:
10.05
2vxaB-5ej1A:
10.05
2vxaK-5ej1A:
10.05
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.
2VXA_C_RBFC200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 GLN A 285
TYR A 479
ARG A 471
ARG A 715
 None
None
BGC  A 915 ( 2.8A)
None
 1.42A 2vxaB-5ej1A:
undetectable
2vxaC-5ej1A:
undetectable
2vxaG-5ej1A:
undetectable		 2vxaB-5ej1A:
10.05
2vxaC-5ej1A:
10.05
2vxaG-5ej1A:
10.05
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.
2VXA_D_RBFD200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 TYR A 479
ARG A 471
GLN A 285
ARG A 715
 None
BGC  A 915 ( 2.8A)
None
None
 1.42A 2vxaD-5ej1A:
undetectable
2vxaF-5ej1A:
undetectable
2vxaI-5ej1A:
undetectable		 2vxaD-5ej1A:
10.05
2vxaF-5ej1A:
10.05
2vxaI-5ej1A:
10.05
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.
2VXA_E_RBFE200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 GLN A 285
TYR A 479
ARG A 471
ARG A 715
 None
None
BGC  A 915 ( 2.8A)
None
 1.44A 2vxaD-5ej1A:
undetectable
2vxaE-5ej1A:
undetectable
2vxaL-5ej1A:
undetectable		 2vxaD-5ej1A:
10.05
2vxaE-5ej1A:
10.05
2vxaL-5ej1A:
10.05
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.
2VXA_G_RBFG200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 ARG A 715
TYR A 479
ARG A 471
GLN A 285
 None
None
BGC  A 915 ( 2.8A)
None
 1.40A 2vxaF-5ej1A:
undetectable
2vxaG-5ej1A:
undetectable
2vxaI-5ej1A:
undetectable		 2vxaF-5ej1A:
10.05
2vxaG-5ej1A:
10.05
2vxaI-5ej1A:
10.05
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.
2VXA_H_RBFH200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 ARG A 715
GLN A 285
TYR A 479
ARG A 471
 None
None
None
BGC  A 915 ( 2.8A)
 1.44A 2vxaB-5ej1A:
undetectable
2vxaG-5ej1A:
undetectable
2vxaH-5ej1A:
undetectable		 2vxaB-5ej1A:
10.05
2vxaG-5ej1A:
10.05
2vxaH-5ej1A:
10.05
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.
2VXA_I_RBFI200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 GLN A 285
TYR A 479
ARG A 471
ARG A 715
 None
None
BGC  A 915 ( 2.8A)
None
 1.42A 2vxaH-5ej1A:
undetectable
2vxaI-5ej1A:
undetectable
2vxaJ-5ej1A:
undetectable		 2vxaH-5ej1A:
10.05
2vxaI-5ej1A:
10.05
2vxaJ-5ej1A:
10.05
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.
2VXA_J_RBFJ200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 ARG A 715
TYR A 479
ARG A 471
GLN A 285
 None
None
BGC  A 915 ( 2.8A)
None
 1.42A 2vxaD-5ej1A:
undetectable
2vxaJ-5ej1A:
undetectable
2vxaL-5ej1A:
undetectable		 2vxaD-5ej1A:
10.05
2vxaJ-5ej1A:
10.05
2vxaL-5ej1A:
10.05
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.
2VXA_K_RBFK200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 ARG A 715
GLN A 285
TYR A 479
ARG A 471
 None
None
None
BGC  A 915 ( 2.8A)
 1.42A 2vxaH-5ej1A:
undetectable
2vxaJ-5ej1A:
undetectable
2vxaK-5ej1A:
undetectable		 2vxaH-5ej1A:
10.05
2vxaJ-5ej1A:
10.05
2vxaK-5ej1A:
10.05
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.
2VXA_L_RBFL200_1
(DODECIN)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 ARG A 715
GLN A 285
TYR A 479
ARG A 471
 None
None
None
BGC  A 915 ( 2.8A)
 1.41A 2vxaA-5ej1A:
undetectable
2vxaK-5ej1A:
undetectable
2vxaL-5ej1A:
undetectable		 2vxaA-5ej1A:
10.05
2vxaK-5ej1A:
10.05
2vxaL-5ej1A:
10.05
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		4 / 4 ARG A 149
GLY A 148
GLU A 204
SER A 551
 BGC  A 802 (-2.7A)
None
None
None
 1.15A 2xctS-4zo6A:
3.9
2xctU-4zo6A:
undetectable		 2xctS-4zo6A:
23.72
2xctU-4zo6A:
23.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		11 / 12 ALA A 182
GLU A 184
ARG A 186
TYR A 190
GLN A 192
TRP A 196
PHE A 198
GLY A 296
HIS A 298
THR A 340
MET A 344
 BGC  A 551 ( 3.5A)
BGC  A 551 (-4.1A)
None
None
BGC  A 552 (-3.6A)
None
BGC  A 552 (-4.0A)
None
BGC  A 552 (-4.1A)
BGC  A 551 (-3.1A)
BGC  A 552 ( 4.6A)
 0.75A 2xffA-1b1yA:
62.7		 2xffA-1b1yA:
97.02
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 3u4a JMB19063
(compost
metagenome) 		5 / 12 LEU A  25
VAL A 293
ASP A  84
VAL A  85
ASN A  55
 None
None
BGC  A 776 (-2.8A)
None
BGC  A 776 ( 4.2A)
 1.42A 2y00A-3u4aA:
undetectable		 2y00A-3u4aA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.12A 2y69C-4w8bA:
undetectable
2y69N-4w8bA:
undetectable
2y69P-4w8bA:
undetectable		 2y69C-4w8bA:
22.14
2y69N-4w8bA:
19.46
2y69P-4w8bA:
22.14
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.
2Y7H_C_SAMC530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3wq1 ENDOGLUCANASE A
(Pyrococcus
furiosus) 		3 / 3 TYR A 243
GLU A 178
ASN A  82
 GOL  A 409 (-4.6A)
BGC  A 414 (-3.9A)
BGC  A 412 (-3.1A)
 0.96A 2y7hC-3wq1A:
undetectable		 2y7hC-3wq1A:
20.94
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.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 11 THR A 226
GLY A 228
PHE A 166
HIS A 240
ILE A 146
 None
None
BGC  A 605 ( 3.8A)
None
None
 1.17A 2y7kA-3wy2A:
undetectable		 2y7kA-3wy2A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_B_SALB1304_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 THR A 226
GLY A 228
PHE A 166
HIS A 240
ILE A 146
 None
None
BGC  A 605 ( 3.8A)
None
None
 1.17A 2y7kB-3wy2A:
undetectable		 2y7kB-3wy2A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 THR A 226
GLY A 228
PHE A 166
HIS A 240
ILE A 146
 None
None
BGC  A 605 ( 3.8A)
None
None
 1.22A 2y7kC-3wy2A:
undetectable		 2y7kC-3wy2A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7P_A_SALA1000_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 THR A 226
GLY A 228
PHE A 166
HIS A 240
ILE A 146
 None
None
BGC  A 605 ( 3.8A)
None
None
 1.14A 2y7pA-3wy2A:
undetectable		 2y7pA-3wy2A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z0A_C_GLYC73_0
(NONSTRUCTURAL
PROTEIN 1)		 5v1w GLYCOSIDE HYDROLASE
(Bacillus
halodurans) 		4 / 4 ASP A 530
ASP A 466
SER A 459
ARG A 463
 BGC  A 801 (-3.5A)
BGC  A 801 ( 2.7A)
BGC  A 802 ( 4.6A)
BGC  A 802 (-3.5A)
 1.40A 2z0aC-5v1wA:
3.5		 2z0aC-5v1wA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.29A 2zj0A-2wabA:
5.5		 2zj0A-2wabA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.28A 2zj0B-2wabA:
5.9		 2zj0B-2wabA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.35A 2zj0C-2wabA:
4.8		 2zj0C-2wabA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 2zj0D-2wabA:
5.7		 2zj0D-2wabA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 2mpr MALTOPORIN
(Salmonella
enterica) 		4 / 7 ARG A   8
GLU A  43
TYR A 118
ARG A 109
 GLC  A 429 (-3.0A)
GLC  A 429 ( 2.6A)
BGC  A 428 (-4.4A)
GLC  A 429 ( 3.0A)
 1.21A 2zt7A-2mprA:
undetectable		 2zt7A-2mprA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		4 / 7 TYR A 248
ARG A 200
GLU A 509
SER A 451
 BGC  A 943 ( 4.5A)
BGC  A 942 (-3.8A)
BGC  A 942 (-3.1A)
BGC  A 942 (-3.4A)
 1.22A 2zt7A-4iigA:
undetectable		 2zt7A-4iigA:
22.44
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		4 / 7 TYR A 245
ARG A 200
GLU A 505
SER A 447
 BGC  A 946 (-4.7A)
BGC  A 946 (-3.9A)
BGC  A 946 (-3.3A)
BGC  A 946 (-3.5A)
 1.24A 2zt7A-5ju6A:
undetectable		 2zt7A-5ju6A:
22.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE
(Rhodococcus
hoagii) 		5 / 12 GLY A 134
ASP A 133
LEU A 171
ASP A 176
GLU A 214
 None
BGC  A 604 (-2.6A)
None
None
18C  A 607 (-3.0A)
 1.05A 2zw9B-5j7zA:
undetectable		 2zw9B-5j7zA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 8 ILE A 297
ASN A 293
ARG A 502
ASP A 246
 None
BGC  A1526 (-3.0A)
None
BGC  A1526 (-2.7A)
 1.08A 2zw9B-2wzfA:
undetectable		 2zw9B-2wzfA:
19.75
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE
(Ruminiclostridiu
m
thermocellum) 		3 / 3 MET A 411
GLU A 459
ASN A 749
 BGC  A1764 (-3.6A)
GLC  A1769 ( 4.6A)
BGC  A1770 ( 3.0A)
 0.95A 3a27A-2cn3A:
undetectable		 3a27A-2cn3A:
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.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.14A 3ablA-4w8bA:
undetectable
3ablC-4w8bA:
undetectable
3ablP-4w8bA:
undetectable		 3ablA-4w8bA:
19.46
3ablC-4w8bA:
22.14
3ablP-4w8bA:
22.14
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.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.14A 3ablC-4w8bA:
undetectable
3ablN-4w8bA:
undetectable
3ablP-4w8bA:
undetectable		 3ablC-4w8bA:
22.14
3ablN-4w8bA:
19.46
3ablP-4w8bA:
22.14
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.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.13A 3abmA-4w8bA:
undetectable
3abmC-4w8bA:
undetectable
3abmP-4w8bA:
undetectable		 3abmA-4w8bA:
19.46
3abmC-4w8bA:
22.14
3abmP-4w8bA:
22.14
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicA-2ya1A:
8.2		 3aicA-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.69A 3aicA-3wy2A:
5.0		 3aicA-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
GLU A 271
HIS A 332
ASP A 333
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.2A)
 0.87A 3aicA-3wy2A:
5.0		 3aicA-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.16A 3aicA-5do8B:
3.2		 3aicA-5do8B:
19.17
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.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA
(Homo
sapiens) 		3 / 3 LEU A 151
TRP A 177
TYR A 153
 None
BGC  A 318 (-3.9A)
None
 1.01A 3aicA-3qt2A:
undetectable		 3aicA-3qt2A:
16.39
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.65A 3aicB-2ya1A:
3.6		 3aicB-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.70A 3aicB-3wy2A:
2.9		 3aicB-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
GLU A 271
HIS A 332
ASP A 333
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.2A)
 0.84A 3aicB-3wy2A:
2.9		 3aicB-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.19A 3aicB-5do8B:
3.3		 3aicB-5do8B:
19.17
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.
3AIC_B_ACRB5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA
(Homo
sapiens) 		3 / 3 LEU A 151
TRP A 177
TYR A 153
 None
BGC  A 318 (-3.9A)
None
 0.99A 3aicB-3qt2A:
undetectable		 3aicB-3qt2A:
16.39
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		6 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
TYR A 667
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
BGC  A2144 (-4.5A)
 0.62A 3aicC-2ya1A:
6.1		 3aicC-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		7 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
TYR A  65
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
BGC  A 605 (-3.7A)
 0.68A 3aicC-3wy2A:
6.2		 3aicC-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
GLU A 271
HIS A 332
ASP A 333
TYR A  65
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-3.7A)
BGC  A 605 ( 4.2A)
 0.92A 3aicC-3wy2A:
6.2		 3aicC-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		7 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
TYR B  64
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
BGC  B 601 (-3.8A)
 1.15A 3aicC-5do8B:
6.4		 3aicC-5do8B:
19.17
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.73A 3aicD-2ya1A:
8.2		 3aicD-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.75A 3aicD-3wy2A:
5.7		 3aicD-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.22A 3aicD-5do8B:
2.6		 3aicD-5do8B:
19.17
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
ARG A 842
HIS A 894
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
GLC  A2149 (-2.8A)
None
 0.74A 3aicE-2ya1A:
8.2		 3aicE-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicE-2ya1A:
8.2		 3aicE-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.75A 3aicE-3wy2A:
6.4		 3aicE-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
GLU A 271
HIS A 332
ASP A 333
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.2A)
 0.89A 3aicE-3wy2A:
6.4		 3aicE-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.22A 3aicE-5do8B:
5.9		 3aicE-5do8B:
19.17
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.
3AIC_E_ACRE5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA
(Homo
sapiens) 		3 / 3 LEU A 151
TRP A 177
TYR A 153
 None
BGC  A 318 (-3.9A)
None
 0.97A 3aicE-3qt2A:
undetectable		 3aicE-3qt2A:
16.39
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicF-2ya1A:
8.2		 3aicF-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.74A 3aicF-3wy2A:
6.0		 3aicF-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
GLU A 271
HIS A 332
ASP A 333
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.2A)
 0.84A 3aicF-3wy2A:
6.0		 3aicF-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.22A 3aicF-5do8B:
7.1		 3aicF-5do8B:
19.17
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.
3AIC_F_ACRF5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA
(Homo
sapiens) 		3 / 3 LEU A 151
TRP A 177
TYR A 153
 None
BGC  A 318 (-3.9A)
None
 1.00A 3aicF-3qt2A:
undetectable		 3aicF-3qt2A:
16.39
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicG-2ya1A:
8.2		 3aicG-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.71A 3aicG-3wy2A:
5.1		 3aicG-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.2A)
 0.89A 3aicG-3wy2A:
5.1		 3aicG-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.19A 3aicG-5do8B:
7.2		 3aicG-5do8B:
19.17
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.71A 3aicH-2ya1A:
8.2		 3aicH-2ya1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.74A 3aicH-3wy2A:
6.4		 3aicH-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
GLU A 271
HIS A 332
ASP A 333
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.2A)
 0.91A 3aicH-3wy2A:
6.4		 3aicH-3wy2A:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.20A 3aicH-5do8B:
5.8		 3aicH-5do8B:
19.17
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.
3AIC_H_ACRH5044_2
(GLUCOSYLTRANSFERASE-
SI)		 3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA
(Homo
sapiens) 		3 / 3 LEU A 151
TRP A 177
TYR A 153
 None
BGC  A 318 (-3.9A)
None
 0.96A 3aicH-3qt2A:
undetectable		 3aicH-3qt2A:
16.39
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.
3ARR_A_PNXA606_1
(CHITINASE A)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		4 / 7 GLY A 117
ASP A 138
TRP A  65
ARG A  64
 None
BGC  A 402 (-3.0A)
BGC  A 402 (-4.3A)
BGC  A 402 (-3.9A)
 1.28A 3arrA-4rxuA:
undetectable		 3arrA-4rxuA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.13A 3asnC-4w8bA:
undetectable
3asnN-4w8bA:
undetectable
3asnP-4w8bA:
undetectable		 3asnC-4w8bA:
22.14
3asnN-4w8bA:
19.46
3asnP-4w8bA:
22.14
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.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.17A 3asoA-4w8bA:
undetectable
3asoC-4w8bA:
undetectable
3asoP-4w8bA:
undetectable		 3asoA-4w8bA:
19.46
3asoC-4w8bA:
22.14
3asoP-4w8bA:
22.14
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.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.16A 3asoC-4w8bA:
undetectable
3asoN-4w8bA:
undetectable
3asoP-4w8bA:
undetectable		 3asoC-4w8bA:
22.14
3asoN-4w8bA:
19.46
3asoP-4w8bA:
22.14
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.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ARG A  46
GLU A 136
TYR A 200
ASN A 139
HIS A  90
 None
None
BGC  A 351 (-4.3A)
BGC  A 351 (-3.9A)
BGC  A 351 (-4.1A)
 1.44A 3bjmA-1cenA:
undetectable		 3bjmA-1cenA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ARG A  46
GLU A 136
TYR A 200
ASN A 139
HIS A  90
 None
None
BGC  A 351 (-4.3A)
BGC  A 351 (-3.9A)
BGC  A 351 (-4.1A)
 1.45A 3bjmB-1cenA:
undetectable		 3bjmB-1cenA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 5gnx BETA-GLUCOSIDASE
(metagenome) 		5 / 12 ARG A  82
TYR A 298
VAL A 174
ASN A 170
HIS A 126
 None
BGC  A 502 (-4.4A)
None
BGC  A 502 (-3.3A)
BGC  A 502 (-4.0A)
 1.48A 3bjmB-5gnxA:
undetectable		 3bjmB-5gnxA:
20.65
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		4 / 8 TYR A 120
ASN A 165
PHE A 417
TRP A 401
 None
BGC  A 501 (-3.3A)
BGC  A 501 (-3.8A)
BGC  A 501 (-3.6A)
 1.43A 3bjwD-4ptxA:
undetectable		 3bjwD-4ptxA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 4f9o HEXOKINASE-1
(Homo
sapiens) 		4 / 4 SER A 415
GLY A 414
GLY A 299
GLY A 233
 0NZ  A1002 (-2.6A)
0NZ  A1002 (-3.1A)
None
BGC  A1001 ( 3.8A)
 0.89A 3bogB-4f9oA:
undetectable
3bogD-4f9oA:
undetectable		 3bogB-4f9oA:
undetectable
3bogD-4f9oA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_B_SAMB238_0
(N,N-DIMETHYLTRANSFER
ASE)		 3vn4 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 13
(Homo
sapiens) 		5 / 12 GLY A 479
LEU A 521
SER A 520
ARG A 398
MET A 486
 None
None
None
BGC  A 904 (-4.1A)
None
 1.04A 3bxoB-3vn4A:
undetectable		 3bxoB-3vn4A:
22.30
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.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 3ce6A-2wabA:
4.8		 3ce6A-2wabA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 3ce6B-2wabA:
5.8		 3ce6B-2wabA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.29A 3ce6C-2wabA:
5.8		 3ce6C-2wabA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 3ce6D-2wabA:
5.7		 3ce6D-2wabA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 1up2 CELA1 PROTEIN
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 246
ASP A 244
ILE A 202
ASN A 277
LEU A 273
 None
None
None
BGC  A 382 (-3.7A)
None
 0.95A 3eeyJ-1up2A:
undetectable		 3eeyJ-1up2A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKT_B_017B200_1
(PROTEASE)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 9 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 1.02A 3ektA-2q2rA:
undetectable		 3ektA-2q2rA:
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.
3EL4_A_ROCA100_2
(PROTEASE)		 1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE
(Arthrobacter
sp.
KM) 		5 / 9 ASP A 123
ALA A 124
ILE A 147
GLY A 221
THR A 151
 BGC  A 290 (-2.9A)
BGC  A 290 ( 3.7A)
None
None
PO4  A 280 (-3.5A)
 1.10A 3el4B-1woqA:
undetectable		 3el4B-1woqA:
19.10
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.
3EL4_A_ROCA100_2
(PROTEASE)		 3vgl GLUCOKINASE
(Streptomyces
griseus) 		5 / 9 ASP A 105
ALA A 106
ILE A 128
GLY A 259
THR A 132
 BGC  A 324 (-3.0A)
BGC  A 324 ( 3.9A)
None
None
ANP  A 325 (-3.6A)
 1.20A 3el4B-3vglA:
undetectable		 3el4B-3vglA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		5 / 12 GLY A 504
GLY A 448
GLY A 444
LEU A 141
VAL A  74
 None
None
None
BGC  A 946 ( 3.9A)
None
 1.06A 3embA-5ju6A:
undetectable		 3embA-5ju6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.25A 3g1uA-2wabA:
5.5		 3g1uA-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.27A 3g1uB-2wabA:
4.4		 3g1uB-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 3g1uB-2wabA:
4.4		 3g1uB-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.25A 3g1uD-2wabA:
4.2		 3g1uD-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
 0.44A 3galA-1hlcA:
20.0		 3galA-1hlcA:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 6 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
 0.58A 3galA-1ww6A:
16.0		 3galA-1ww6A:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
 0.36A 3galA-3ajyA:
17.4		 3galA-3ajyA:
27.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
 0.19A 3galA-3ajzA:
19.7		 3galA-3ajzA:
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
 0.20A 3galA-3wv6A:
22.8		 3galA-3wv6A:
23.33
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.
3GAL_A_1GNA998_1
(GALECTIN-7)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 6 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.41A 3galA-4fqzA:
22.6		 3galA-4fqzA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		6 / 6 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
 0.39A 3galB-1hlcA:
19.4		 3galB-1hlcA:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 6 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
 0.70A 3galB-1ww6A:
15.5		 3galB-1ww6A:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
 0.44A 3galB-3ajyA:
17.1		 3galB-3ajyA:
27.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 6 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
 0.24A 3galB-3ajzA:
19.2		 3galB-3ajzA:
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3qom 6-PHOSPHO-BETA-GLUCO
SIDASE
(Lactobacillus
plantarum) 		4 / 6 ASN A 182
ARG A 267
ASN A 186
GLU A 332
 None
BGC  A 479 (-2.9A)
None
BGC  A 479 ( 4.9A)
 1.30A 3galB-3qomA:
undetectable		 3galB-3qomA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 3wv6 GALECTIN-9
(Homo
sapiens) 		6 / 6 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
 0.38A 3galB-3wv6A:
22.7		 3galB-3wv6A:
23.33
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.
3GAL_B_1GNB999_1
(GALECTIN-7)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 6 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.39A 3galB-4fqzA:
22.3		 3galB-4fqzA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GGU_B_017B201_2
(PROTEASE)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 9 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 0.98A 3gguB-2q2rA:
undetectable		 3gguB-2q2rA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 3glqA-2wabA:
2.1		 3glqA-2wabA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.36A 3glqB-2wabA:
6.1		 3glqB-2wabA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWV_A_RFXA801_1
(TRANSPORTER)		 4bpz ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16
(Zobellia
galactanivorans) 		5 / 12 LEU A 214
LEU A 353
ARG A 213
ILE A 193
ALA A 240
 None
None
BGC  A 402 ( 3.9A)
None
GLC  A 401 ( 3.5A)
 1.03A 3gwvA-4bpzA:
undetectable		 3gwvA-4bpzA:
19.78
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.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 10 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 3h9uB-2wabA:
6.1		 3h9uB-2wabA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 10 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.36A 3h9uB-2wabA:
6.1		 3h9uB-2wabA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 10 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 3h9uC-2wabA:
2.3		 3h9uC-2wabA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 10 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.38A 3h9uC-2wabA:
2.3		 3h9uC-2wabA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 10 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.33A 3h9uD-2wabA:
5.8		 3h9uD-2wabA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 10 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.37A 3h9uD-2wabA:
5.8		 3h9uD-2wabA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCO_A_CHDA4_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 9 SER A 227
VAL A 260
GLY A 261
PRO A 262
MET A 263
 BGC  A1337 (-4.7A)
None
None
GOL  A1341 ( 4.7A)
BGC  A1337 (-4.5A)
 1.15A 3hcoA-2wabA:
4.1		 3hcoA-2wabA:
18.61
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.
3HCO_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 10 SER A 227
VAL A 260
GLY A 261
PRO A 262
MET A 263
 BGC  A1337 (-4.7A)
None
None
GOL  A1341 ( 4.7A)
BGC  A1337 (-4.5A)
 1.10A 3hcoB-2wabA:
3.8		 3hcoB-2wabA:
18.61
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.
3HCR_A_CHDA424_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		4 / 8 SER A 227
GLY A 261
PRO A 262
MET A 263
 BGC  A1337 (-4.7A)
None
GOL  A1341 ( 4.7A)
BGC  A1337 (-4.5A)
 1.04A 3hcrA-2wabA:
3.6		 3hcrA-2wabA:
18.61
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.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)
(Streptomyces
matensis) 		3 / 3 CYH A 306
PRO A 230
ASP A 376
 BGC  A   4 (-4.8A)
None
None
 0.93A 3hlwB-3gd9A:
undetectable		 3hlwB-3gd9A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HRD_E_NIOE5660_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		 4hz8 BETA-GLUCOSIDASE
(uncultured
bacterium) 		3 / 3 GLU A 444
GLU A 441
TRP A 360
 None
BGC  A 501 (-2.8A)
None
 1.05A 3hrdA-4hz8A:
undetectable
3hrdE-4hz8A:
undetectable
3hrdF-4hz8A:
undetectable		 3hrdA-4hz8A:
21.67
3hrdE-4hz8A:
21.67
3hrdF-4hz8A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gB-3wy2A:
undetectable		 3j6gB-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_D_TA1D502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gD-3wy2A:
undetectable		 3j6gD-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_F_TA1F502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gF-3wy2A:
undetectable		 3j6gF-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_H_TA1H502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gH-3wy2A:
undetectable		 3j6gH-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_J_TA1J502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gJ-3wy2A:
undetectable		 3j6gJ-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_L_TA1L502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gL-3wy2A:
undetectable		 3j6gL-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_N_TA1N502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gN-3wy2A:
undetectable		 3j6gN-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_P_TA1P502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gP-3wy2A:
undetectable		 3j6gP-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6G_R_TA1R502_1
(TUBULIN BETA CHAIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 10 VAL A 102
ASP A 100
LEU A 167
PHE A 147
ARG A 200
 None
None
None
BGC  A 605 (-4.7A)
BGC  A 605 (-3.0A)
 1.50A 3j6gR-3wy2A:
undetectable		 3j6gR-3wy2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB3_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE
(Arthrobacter
sp.
KM) 		5 / 12 TYR A 205
GLY A 152
ALA A 179
ALA A  95
PRO A  83
 None
BGC  A 290 ( 3.7A)
None
BGC  A 290 (-3.4A)
BGC  A 290 (-4.9A)
 1.09A 3jb3A-1woqA:
undetectable		 3jb3A-1woqA:
13.81
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.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		5 / 10 ALA A  69
LEU A  95
VAL A 277
LEU A 198
THR A 168
 None
BGC  A1400 (-4.6A)
None
None
None
 1.14A 3jw5B-1nsvA:
undetectable		 3jw5B-1nsvA:
18.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5hz7 COMP
(Neisseria
meningitidis) 		12 / 12 ASP A  15
LYS A  16
LYS A  43
GLU A  45
GLU A  46
ALA A  64
ASP A  66
ARG A  67
GLU A 112
PRO A 155
TRP A 231
TYR A 342
 MLR  A 501 (-2.2A)
MLR  A 501 (-2.6A)
BGC  A 504 (-2.5A)
BGC  A 504 ( 2.4A)
BGC  A 504 (-2.2A)
MLR  A 501 (-3.0A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.8A)
MLR  A 501 (-2.4A)
MLR  A 501 (-2.6A)
MLR  A 501 (-3.3A)
MLR  A 501 ( 3.4A)
 0.30A 3jyrA-5hz7A:
62.8		 3jyrA-5hz7A:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		 5hz7 COMP
(Neisseria
meningitidis) 		6 / 7 ASN A  13
TRP A  63
TYR A 156
MET A 331
TRP A 341
ARG A 345
 MLR  A 501 ( 4.6A)
MLR  A 501 (-4.0A)
MLR  A 501 (-2.8A)
MLR  A 501 (-3.7A)
MLR  A 501 (-3.1A)
BGC  A 504 ( 3.9A)
 0.60A 3jyrA-5hz7A:
62.8		 3jyrA-5hz7A:
66.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K8M_A_ACRA720_1
(ALPHA-AMYLASE, SUSG)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		4 / 7 TYR B 362
GLU B 254
LEU B 322
ASN B 320
 None
BGC  B 601 ( 2.7A)
None
None
 1.33A 3k8mA-5do8B:
32.1		 3k8mA-5do8B:
26.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KL3_A_DHIA403_0
(GLUCURONOXYLANASE
XYNC)		 5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE
(Rhodococcus
hoagii) 		4 / 4 GLY A 140
TYR A 165
GLY A 134
ASP A 133
 None
None
None
BGC  A 604 (-2.6A)
 0.83A 3kl3A-5j7zA:
9.2		 3kl3A-5j7zA:
21.14
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.
3KO0_Q_TFPQ202_1
(PROTEIN S100-A4)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		5 / 10 PHE A 495
ASP A 295
SER A 497
LEU A 156
ILE A 168
 None
BGC  A1526 (-4.3A)
None
None
None
 1.47A 3ko0O-2wzfA:
undetectable
3ko0P-2wzfA:
undetectable
3ko0Q-2wzfA:
0.0
3ko0R-2wzfA:
0.0		 3ko0O-2wzfA:
11.39
3ko0P-2wzfA:
11.39
3ko0Q-2wzfA:
11.39
3ko0R-2wzfA:
11.39
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.
3KO0_S_TFPS201_1
(PROTEIN S100-A4)		 4qs9 HEXOKINASE-1
(Arabidopsis
thaliana) 		4 / 7 PHE A 178
PHE A 176
GLY A 254
PHE A 144
 None
None
BGC  A 501 ( 3.7A)
None
 1.10A 3ko0K-4qs9A:
undetectable
3ko0S-4qs9A:
undetectable		 3ko0K-4qs9A:
11.11
3ko0S-4qs9A:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_B_SALB3004_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 5 ILE A 788
PHE A 777
ASP A 778
GLU A 807
 None
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
 1.18A 3kp6A-2ya1A:
undetectable
3kp6B-2ya1A:
undetectable		 3kp6A-2ya1A:
10.21
3kp6B-2ya1A:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_B_SAMB1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		3 / 3 ASN A 162
ASN A 165
GLU A 478
 None
BGC  A1520 (-3.2A)
None
 0.82A 3kpdC-3zmrA:
undetectable		 3kpdC-3zmrA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_B_SAMB1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		3 / 3 ASN A 345
ASN A 296
GLU A 369
 EDO  A1516 (-4.6A)
BGC  A1518 (-2.8A)
None
 0.82A 3kpdC-3zmrA:
undetectable		 3kpdC-3zmrA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPD_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		3 / 3 ASN A 345
ASN A 296
GLU A 369
 EDO  A1516 (-4.6A)
BGC  A1518 (-2.8A)
None
 0.89A 3kpdB-3zmrA:
undetectable		 3kpdB-3zmrA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU1_G_SAMG226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3vgl GLUCOKINASE
(Streptomyces
griseus) 		5 / 12 LEU A  88
GLY A  10
GLY A 133
ALA A  64
GLY A  63
 None
ANP  A 325 (-3.4A)
BGC  A 324 ( 3.9A)
None
None
 1.17A 3ku1G-3vglA:
undetectable		 3ku1G-3vglA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 4mdp BETA-GLUCOSIDASE
(Humicola
grisea) 		5 / 12 ARG A  27
PHE A 134
ALA A 181
ASP A  33
LEU A 173
 None
None
None
None
BGC  A 501 ( 4.9A)
 1.21A 3lcvB-4mdpA:
undetectable		 3lcvB-4mdpA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LMY_A_CP6A562_1
(BETA-HEXOSAMINIDASE
SUBUNIT BETA)		 5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE
(Rhodococcus
hoagii) 		5 / 12 ARG A  89
ASP A 129
HIS A 131
ASP A 133
TYR A 293
 None
None
BGC  A 604 (-4.5A)
BGC  A 604 (-2.6A)
18C  A 607 (-4.0A)
 1.49A 3lmyA-5j7zA:
7.1		 3lmyA-5j7zA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LSK_B_ACTB901_0
(PYRANOSE 2-OXIDASE)		 3qom 6-PHOSPHO-BETA-GLUCO
SIDASE
(Lactobacillus
plantarum) 		4 / 6 SER A 315
PHE A 135
HIS A 134
ASN A 179
 BGC  A 479 ( 3.8A)
None
None
None
 1.36A 3lskB-3qomA:
undetectable		 3lskB-3qomA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		 5jp0 BETA-GLUCOSIDASE
BOGH3B
(Bacteroides
ovatus) 		4 / 8 GLU A 197
TYR A 138
GLN A 459
ARG A 194
 None
None
None
BGC  A 801 (-2.9A)
 1.00A 3mjrD-5jp0A:
2.6		 3mjrD-5jp0A:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 12 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 0.96A 3mwsA-2q2rA:
undetectable		 3mwsA-2q2rA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MYU_A_VIBA500_1
(HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37)		 5gy0 GLUCANASE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 ASP A 323
TRP A 325
TYR A 440
ASP A 439
GLY A 326
 None
BGC  A 709 ( 4.3A)
None
BGC  A 709 ( 4.5A)
None
 1.29A 3myuA-5gy0A:
undetectable		 3myuA-5gy0A:
19.51
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.
3MYU_B_VIBB500_1
(HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37)		 5gy0 GLUCANASE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 ASP A 323
TRP A 325
TYR A 440
ASP A 439
GLY A 326
 None
BGC  A 709 ( 4.3A)
None
BGC  A 709 ( 4.5A)
None
 1.26A 3myuB-5gy0A:
undetectable		 3myuB-5gy0A:
19.51
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.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 3n58A-2wabA:
2.1		 3n58A-2wabA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NK2_X_LDPX433_1
(6-HYDROXY-L-NICOTINE
OXIDASE)		 4mdp BETA-GLUCOSIDASE
(Humicola
grisea) 		4 / 7 TYR A 179
LEU A 326
LEU A 173
PHE A 348
 BGC  A 501 ( 4.1A)
None
BGC  A 501 ( 4.9A)
BGC  A 501 (-4.7A)
 1.17A 3nk2X-4mdpA:
undetectable		 3nk2X-4mdpA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		 3act CELLOBIOSE
PHOSPHORYLASE
(Cellulomonas
gilvus) 		5 / 10 PHE A 664
LEU A 494
ASN A 493
LEU A 647
VAL A 650
 BGC  A2901 (-4.7A)
None
None
None
None
 1.24A 3o02A-3actA:
1.7
3o02B-3actA:
1.8		 3o02A-3actA:
17.92
3o02B-3actA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		 1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE
(Bacillus
circulans) 		4 / 6 HIS A  98
PRO A 143
LEU A 197
ASP A 229
 BGC  A1696 (-4.1A)
None
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
 1.28A 3oi8A-1kclA:
undetectable		 3oi8A-1kclA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 3ondA-2wabA:
4.3		 3ondA-2wabA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 3ondB-2wabA:
4.9		 3ondB-2wabA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		3 / 3 TYR A 189
ASP A 320
ASP A 315
 BGC  A1343 (-4.2A)
None
None
 0.86A 3ou6B-5a05A:
3.0		 3ou6B-5a05A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		5 / 12 ASP A 138
ILE A 111
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.48A 3phaB-4rxuA:
undetectable		 3phaB-4rxuA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		5 / 12 ASP A 138
ILE A 111
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.43A 3phaC-4rxuA:
2.1		 3phaC-4rxuA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		5 / 12 ASP A 138
ILE A 111
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.44A 3phaD-4rxuA:
undetectable		 3phaD-4rxuA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5v1w GLYCOSIDE HYDROLASE
(Bacillus
halodurans) 		5 / 12 TRP A 606
ASP A 611
ILE A 604
TRP A 615
HIS A 129
 None
None
None
BGC  A 801 (-3.8A)
EDO  A 814 (-4.3A)
 1.27A 3pocA-5v1wA:
undetectable		 3pocA-5v1wA:
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.
3QL6_A_NIMA614_1
(LACTOPEROXIDASE)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		4 / 7 GLN B  14
HIS B 327
PHE B 280
PRO B 256
 None
BGC  B 601 (-3.9A)
BTB  B 603 (-4.0A)
BTB  B 603 (-4.6A)
 1.27A 3ql6A-5do8B:
undetectable		 3ql6A-5do8B:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S43_A_478A401_1
(PROTEASE)		 2pok PEPTIDASE,
M20/M25/M40 FAMILY
(Streptococcus
pneumoniae) 		5 / 9 ALA A 178
ASP A 179
VAL A 147
ILE A 152
ILE A  86
 None
BGC  A 458 (-2.4A)
None
None
None
 0.99A 3s43A-2pokA:
undetectable		 3s43A-2pokA:
12.37
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.
3S54_B_017B201_2
(PROTEASE)		 2pok PEPTIDASE,
M20/M25/M40 FAMILY
(Streptococcus
pneumoniae) 		6 / 12 GLY A 177
ALA A 178
ASP A 179
VAL A 147
ILE A 152
ILE A  86
 None
None
BGC  A 458 (-2.4A)
None
None
None
 1.42A 3s54B-2pokA:
undetectable		 3s54B-2pokA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		5 / 12 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 1.06A 3s8pA-4zo6A:
undetectable		 3s8pA-4zo6A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		5 / 12 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 1.05A 3s8pB-4zo6A:
undetectable		 3s8pB-4zo6A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		3 / 3 HIS A 310
SER A 157
ASN A 220
 BGC  A1338 (-4.0A)
None
None
 0.82A 3s8pB-2wabA:
undetectable		 3s8pB-2wabA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC
([Bacillus]
selenitireducens) 		5 / 12 ARG A 358
GLY A 318
GLN A 335
SER A 323
ALA A 319
 None
None
None
None
BGC  A 801 ( 3.7A)
 1.28A 3t7sA-4ktpA:
undetectable		 3t7sA-4ktpA:
16.86
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC
([Bacillus]
selenitireducens) 		5 / 12 ARG A 358
GLY A 318
GLN A 335
SER A 323
ALA A 319
 None
None
None
None
BGC  A 801 ( 3.7A)
 1.33A 3t7sB-4ktpA:
undetectable		 3t7sB-4ktpA:
16.86
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.
3T7S_C_SAMC300_0
(PUTATIVE
METHYLTRANSFERASE)		 4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC
([Bacillus]
selenitireducens) 		5 / 12 ARG A 358
GLY A 318
GLN A 335
SER A 323
ALA A 319
 None
None
None
None
BGC  A 801 ( 3.7A)
 1.28A 3t7sC-4ktpA:
undetectable		 3t7sC-4ktpA:
16.86
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.
3TOP_A_ACRA1_2
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5gnx BETA-GLUCOSIDASE
(metagenome) 		4 / 5 ILE A  26
TRP A 413
TRP A 127
THR A 168
 None
BGC  A 502 (-4.1A)
None
None
 1.20A 3topA-5gnxA:
3.1		 3topA-5gnxA:
20.30
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.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		 3kzh PROBABLE SUGAR
KINASE
(Clostridium
perfringens) 		5 / 9 ILE A 180
ALA A 173
SER A 225
ILE A 224
ILE A 186
 None
None
BGC  A 329 (-3.1A)
None
None
 1.14A 3tq8A-3kzhA:
undetectable		 3tq8A-3kzhA:
20.54
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.
3UBO_A_ADNA353_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		6 / 12 ASP A  34
GLY A 111
GLY A 112
ARG A 197
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
AMP  A1456 ( 4.3A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.61A 3uboA-1ua4A:
24.3		 3uboA-1ua4A:
24.44
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.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		4 / 7 TYR A 187
ASN A 163
GLN A  34
TYR A 149
 None
None
BGC  A 604 (-2.8A)
None
 1.29A 3ugrA-4jsoA:
undetectable		 3ugrA-4jsoA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 5m60 BETA-1,3-GLUCANASE
(Chaetomium
thermophilum) 		4 / 7 TYR A 657
ASN A 160
TYR A 545
TYR A 117
 NA  A 906 ( 4.6A)
BGC  A 901 (-3.0A)
None
None
 1.15A 3ugrA-5m60A:
undetectable		 3ugrA-5m60A:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.46A 3uq6A-1ua4A:
24.3		 3uq6A-1ua4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 7 PRO B 369
GLY B 371
ALA B 372
ALA B 165
 None
BGC  A 904 ( 4.1A)
None
None
 0.84A 3ur0B-5ej1B:
undetectable		 3ur0B-5ej1B:
22.71
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.
3V3O_D_T1CD401_1
(TETX2 PROTEIN)		 1ia7 CELLULASE CEL9M
([Clostridium]
cellulolyticum) 		5 / 10 HIS A 363
GLN A  67
PHE A  63
GLY A  64
GLY A  58
 BGC  A 442 ( 3.9A)
None
None
None
BGC  A 442 ( 4.9A)
 1.44A 3v3oD-1ia7A:
undetectable		 3v3oD-1ia7A:
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.51A 3vaqA-1ua4A:
24.3		 3vaqA-1ua4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.49A 3vasA-1ua4A:
24.4		 3vasA-1ua4A:
23.09
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.54A 3vasB-1ua4A:
22.3		 3vasB-1ua4A:
23.09
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.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 5gw7 GLUCOSIDASE YGJK
(Escherichia
coli) 		4 / 7 PHE A 742
GLY A 738
THR A 311
PHE A 315
 BGC  A1003 (-4.2A)
None
None
BGC  A1003 (-4.4A)
 1.09A 3vnsA-5gw7A:
undetectable		 3vnsA-5gw7A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ARG A  46
GLU A 136
TYR A 200
ASN A 139
HIS A  90
 None
None
BGC  A 351 (-4.3A)
BGC  A 351 (-3.9A)
BGC  A 351 (-4.1A)
 1.45A 3w2tA-1cenA:
undetectable		 3w2tA-1cenA:
18.56
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.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 5gnx BETA-GLUCOSIDASE
(metagenome) 		5 / 12 ARG A  82
TYR A 298
VAL A 174
ASN A 170
HIS A 126
 None
BGC  A 502 (-4.4A)
None
BGC  A 502 (-3.3A)
BGC  A 502 (-4.0A)
 1.48A 3w2tB-5gnxA:
undetectable		 3w2tB-5gnxA:
21.32
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		 1w9w BH0236 PROTEIN
(Bacillus
halodurans) 		4 / 6 THR A  96
ASN A  95
GLY A  73
ILE A  43
 None
BGC  A 605 ( 3.4A)
None
None
 1.04A 3w9tF-1w9wA:
undetectable		 3w9tF-1w9wA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		5 / 12 ASP A 138
PHE A  72
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.45A 3welA-4rxuA:
2.1		 3welA-4rxuA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		5 / 12 ASP A 138
PHE A  72
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.45A 3wemA-4rxuA:
undetectable		 3wemA-4rxuA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		5 / 12 ASP A 138
PHE A  72
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.46A 3weoA-4rxuA:
undetectable		 3weoA-4rxuA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.13A 3wg7A-4w8bA:
undetectable
3wg7C-4w8bA:
undetectable
3wg7P-4w8bA:
undetectable		 3wg7A-4w8bA:
19.46
3wg7C-4w8bA:
22.14
3wg7P-4w8bA:
22.14
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.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.14A 3wg7C-4w8bA:
undetectable
3wg7N-4w8bA:
undetectable
3wg7P-4w8bA:
undetectable		 3wg7C-4w8bA:
22.14
3wg7N-4w8bA:
19.46
3wg7P-4w8bA:
22.14
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.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.18A 3x2qC-4w8bA:
undetectable
3x2qN-4w8bA:
undetectable
3x2qP-4w8bA:
undetectable		 3x2qC-4w8bA:
22.14
3x2qN-4w8bA:
19.46
3x2qP-4w8bA:
22.14
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		3 / 3 ASN A  27
TRP A 319
ASP A 158
 None
BGC  A 403 ( 4.2A)
None
 1.24A 4a7tA-1eceA:
0.0
4a7tF-1eceA:
0.0		 4a7tA-1eceA:
17.78
4a7tF-1eceA:
17.78
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 5v1w GLYCOSIDE HYDROLASE
(Bacillus
halodurans) 		3 / 3 ASN A 540
TRP A 606
ASP A 466
 BGC  A 801 (-3.1A)
None
BGC  A 801 ( 2.7A)
 1.10A 4a7tA-5v1wA:
undetectable
4a7tF-5v1wA:
undetectable		 4a7tA-5v1wA:
11.82
4a7tF-5v1wA:
11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)		 4i3g BETA-GLUCOSIDASE
(Streptomyces
venezuelae) 		4 / 5 HIS A 412
GLY A 511
TYR A 510
GLU A 578
 None
None
None
BGC  A 901 (-3.2A)
 1.27A 4ae1B-4i3gA:
undetectable		 4ae1B-4i3gA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZW_A_SAMA1451_0
(WBDD)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		5 / 12 GLY A 557
ALA A 559
ASN A 562
LEU A 552
VAL A 554
 None
None
None
None
BGC  A 909 ( 4.5A)
 1.22A 4azwA-5ej1A:
2.3		 4azwA-5ej1A:
20.81
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.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		5 / 12 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 1.03A 4bupB-4zo6A:
undetectable		 4bupB-4zo6A:
16.97
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 12 ASP A 538
HIS A 509
ASP A 261
HIS A 536
GLY A 262
 None
None
BGC  A 602 ( 4.9A)
None
None
 1.40A 4bz6A-4jsoA:
undetectable
4bz6B-4jsoA:
undetectable		 4bz6A-4jsoA:
21.31
4bz6B-4jsoA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 12 ASP A 538
PHE A 530
ASP A 261
HIS A 536
GLY A 262
 None
None
BGC  A 602 ( 4.9A)
None
None
 1.30A 4bz6A-4jsoA:
undetectable
4bz6B-4jsoA:
undetectable		 4bz6A-4jsoA:
21.31
4bz6B-4jsoA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		5 / 12 ALA A 188
VAL A 133
ILE A 268
PHE A 135
HIS A 192
 None
None
None
BGC  A 802 (-4.3A)
BGC  A 802 (-4.0A)
 1.16A 4c49A-4zo6A:
undetectable		 4c49A-4zo6A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		4 / 8 GLN A 113
GLN A 235
ASN A 206
THR A 207
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 4.9A)
None
None
 1.33A 4d1yA-1ua4A:
5.0
4d1yB-1ua4A:
4.7		 4d1yA-1ua4A:
19.35
4d1yB-1ua4A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.49A 4dc3B-1ua4A:
24.4		 4dc3B-1ua4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 4wts BETA-1,3-GLUCANOSYLT
RANSFERASE
(Rhizomucor
miehei) 		5 / 12 ASN A 152
PHE A 154
ASP A 133
ASP A 105
ARG A 238
 BGC  A 303 (-4.1A)
BGC  A 303 (-4.0A)
None
None
BGC  A 303 (-2.6A)
 1.41A 4djeA-4wtsA:
7.2		 4djeA-4wtsA:
21.65
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 3kzh PROBABLE SUGAR
KINASE
(Clostridium
perfringens) 		5 / 12 ASP A 166
VAL A 141
ILE A  48
GLY A 262
ILE A 164
 BGC  A 329 (-3.8A)
None
None
None
None
 0.92A 4dqbA-3kzhA:
undetectable		 4dqbA-3kzhA:
14.02
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.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 9 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 1.05A 4dqcB-2q2rA:
undetectable		 4dqcB-2q2rA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3gbp GALACTOSE-BINDING
PROTEIN
(Salmonella
enterica) 		4 / 6 PHE A  16
ALA A 258
GLY A 109
VAL A 293
 BGC  A 308 (-3.6A)
None
None
None
 0.83A 4dubA-3gbpA:
undetectable		 4dubA-3gbpA:
24.02
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3gbp GALACTOSE-BINDING
PROTEIN
(Salmonella
enterica) 		4 / 6 PHE A  16
ALA A 258
GLY A 109
VAL A 293
 BGC  A 308 (-3.6A)
None
None
None
 0.79A 4dubB-3gbpA:
undetectable		 4dubB-3gbpA:
24.02
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4bpz ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16
(Zobellia
galactanivorans) 		4 / 8 SER A 248
GLU A 250
ILE A 272
VAL A 227
 None
BGC  A 402 ( 3.4A)
None
None
 0.89A 4dx7B-4bpzA:
undetectable		 4dx7B-4bpzA:
11.90
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.
4E3A_B_ADNB500_1
(SUGAR KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.38A 4e3aB-1ua4A:
24.6		 4e3aB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		4 / 6 SER A 104
ASP A 100
ARG A 200
GLU A 271
 GOL  A 601 (-3.2A)
None
BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
 1.24A 4eysA-3wy2A:
undetectable		 4eysA-3wy2A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FE1_A_PQNA846_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4i3g BETA-GLUCOSIDASE
(Streptomyces
venezuelae) 		5 / 10 MET A 534
PHE A 532
ALA A 506
GLY A 531
MET A 238
 None
None
None
None
BGC  A 901 (-4.1A)
 1.13A 4fe1A-4i3gA:
undetectable
4fe1J-4i3gA:
undetectable		 4fe1A-4i3gA:
22.96
4fe1J-4i3gA:
4.08
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 7 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.08A 4fevD-1nsvA:
undetectable		 4fevD-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_E_KANE301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		5 / 11 GLN A 295
ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.14A 4fevE-1nsvA:
0.0		 4fevE-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 8 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.10A 4fewD-1nsvA:
0.0		 4fewD-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 8 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.11A 4fewF-1nsvA:
0.0		 4fewF-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGJ_A_1PQA304_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 8 GLN A 150
PHE A 152
TRP A 444
GLY A 421
 BGC  A 707 ( 4.6A)
BGC  A 707 (-4.9A)
None
None
 0.95A 4fgjA-4tz5A:
undetectable
4fgjB-4tz5A:
undetectable		 4fgjA-4tz5A:
17.74
4fgjB-4tz5A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3vgl GLUCOKINASE
(Streptomyces
griseus) 		4 / 5 GLY A 135
GLY A 136
ASN A 107
GLU A 176
 BGC  A 324 (-3.5A)
NA  A 323 (-4.1A)
NA  A 323 (-3.2A)
BGC  A 324 (-2.8A)
 1.23A 4fglC-3vglA:
undetectable		 4fglC-3vglA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4f9o HEXOKINASE-1
(Homo
sapiens) 		4 / 6 GLY A 681
GLY A 679
GLU A 742
ILE A 745
 BGC  A1003 ( 3.8A)
0NZ  A1004 (-3.2A)
BGC  A1003 (-2.7A)
None
 0.93A 4fglD-4f9oA:
undetectable		 4fglD-4f9oA:
12.81
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4qs9 HEXOKINASE-1
(Arabidopsis
thaliana) 		4 / 6 GLY A 254
GLY A 252
GLU A 315
ILE A 318
 BGC  A 501 ( 3.7A)
None
BGC  A 501 (-2.7A)
None
 0.92A 4fglD-4qs9A:
undetectable		 4fglD-4qs9A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU8_A_ACTA304_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC
([Bacillus]
selenitireducens) 		3 / 3 ARG A 320
HIS A 671
TYR A 327
 BGC  A 801 ( 4.3A)
None
BGC  A 801 (-4.5A)
 0.75A 4fu8A-4ktpA:
undetectable		 4fu8A-4ktpA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU9_A_ACTA312_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC
([Bacillus]
selenitireducens) 		3 / 3 ARG A 320
HIS A 671
TYR A 327
 BGC  A 801 ( 4.3A)
None
BGC  A 801 (-4.5A)
 0.65A 4fu9A-4ktpA:
undetectable		 4fu9A-4ktpA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		3 / 3 PHE A 110
VAL A 422
GLU A 480
 None
None
BGC  A 914 ( 2.9A)
 0.54A 4fvqA-5ej1A:
1.4		 4fvqA-5ej1A:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		4 / 6 GLY A 296
ALA A 182
GLU A 184
GLN A 349
 None
BGC  A 551 ( 3.5A)
BGC  A 551 (-4.1A)
None
 1.13A 4g0uA-1b1yA:
0.4		 4g0uA-1b1yA:
19.53
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.
4GBO_A_CUA301_0
(E7)		 5n05 AUXILIARY ACTIVITY 9
(Lentinus
similis) 		4 / 5 ALA A  75
HIS A  78
GLN A 162
TYR A 164
 BGC  A 305 (-3.6A)
CU  A 301 ( 3.2A)
CL  A 309 (-3.3A)
HIC  A   1 (-3.9A)
 0.77A 4gboA-5n05A:
7.7		 4gboA-5n05A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GBO_B_CUB301_0
(E7)		 5n05 AUXILIARY ACTIVITY 9
(Lentinus
similis) 		4 / 5 ALA A  75
HIS A  78
GLN A 162
TYR A 164
 BGC  A 305 (-3.6A)
CU  A 301 ( 3.2A)
CL  A 309 (-3.3A)
HIC  A   1 (-3.9A)
 1.06A 4gboB-5n05A:
7.8		 4gboB-5n05A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 8 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.06A 4gkhF-1nsvA:
0.0		 4gkhF-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 7 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.11A 4gkhG-1nsvA:
0.0		 4gkhG-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 8 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.14A 4gkhC-1nsvA:
0.0
4gkhK-1nsvA:
0.0		 4gkhC-1nsvA:
21.55
4gkhK-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 8 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.06A 4gkiA-1nsvA:
0.0		 4gkiA-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		4 / 8 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.12A 4gkiE-1nsvA:
undetectable
4gkiG-1nsvA:
0.0		 4gkiE-1nsvA:
21.55
4gkiG-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAR_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		4 / 7 ILE A 176
VAL A 144
PHE A 270
ASP A 277
 None
None
None
BGC  A 946 (-2.8A)
 1.15A 4iarA-5ju6A:
undetectable		 4iarA-5ju6A:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IPM_A_ACTA503_0
(GH7 FAMILY PROTEIN)		 5dze ENDO-GLUCANASE
(Vitis
vinifera) 		5 / 9 ASN A  73
TYR A  77
ASP A  91
GLU A  93
TRP A 171
 GLC  A 301 (-3.3A)
GLC  A 301 (-2.9A)
GLC  A 301 ( 2.8A)
BGC  A 305 ( 2.5A)
BGC  A 302 (-2.5A)
 0.70A 4ipmA-5dzeA:
12.4		 4ipmA-5dzeA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		 4au0 EXOGLUCANASE 2
(Trichoderma
reesei) 		5 / 12 SER A 181
TRP A 135
TYR A 169
ALA A 304
GLY A 398
 None
None
None
BGC  A 602 ( 4.4A)
None
 1.34A 4j7xA-4au0A:
3.2		 4j7xA-4au0A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		 2wzf GLUCOSYLTRANSFERASE
(Legionella
pneumophila) 		4 / 8 ASN A 455
ALA A 452
PRO A 450
LEU A 316
 None
None
BGC  A1526 (-4.5A)
None
 0.77A 4jjkA-2wzfA:
2.4		 4jjkA-2wzfA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jksA-1ua4A:
24.6		 4jksA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKS_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jksB-1ua4A:
24.5		 4jksB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4jkuA-1ua4A:
24.6		 4jkuA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 ASN X 237
ASP X  86
ASN X 210
ILE X 209
 BGC  X 501 (-3.8A)
None
BGC  X 501 (-3.2A)
None
 0.87A 4k0bA-3b8aX:
undetectable		 4k0bA-3b8aX:
22.37
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.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER
(Lachnoclostridiu
m
phytofermentans) 		3 / 3 CYH A 313
ASN A 120
LYS A 271
 None
None
BGC  A 403 (-2.9A)
 1.28A 4k50A-4ys6A:
undetectable		 4k50A-4ys6A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_A_ADNA401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4k8cA-1ua4A:
24.6		 4k8cA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8C_B_ADNB401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4k8cB-1ua4A:
24.6		 4k8cB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_A_ADNA401_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4k8kA-1ua4A:
24.6		 4k8kA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K8K_B_ADNB403_1
(SUGAR KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4k8kB-1ua4A:
24.6		 4k8kB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4kahA-1ua4A:
24.6		 4kahA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_B_ADNB502_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kahB-1ua4A:
24.6		 4kahB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4kalA-1ua4A:
24.6		 4kalA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAL_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.40A 4kalB-1ua4A:
24.6		 4kalB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kanA-1ua4A:
24.6		 4kanA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAN_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kanB-1ua4A:
24.5		 4kanB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4kbeA-1ua4A:
24.5		 4kbeA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KBE_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4kbeB-1ua4A:
24.6		 4kbeB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 8 LEU A 145
ARG A 109
SER A 445
VAL A 436
GLY A 437
 None
None
None
BGC  A2457 ( 4.9A)
BGC  A2457 ( 4.0A)
 1.22A 4klrB-1ua4A:
2.3		 4klrB-1ua4A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3act CELLOBIOSE
PHOSPHORYLASE
(Cellulomonas
gilvus) 		5 / 11 PHE A 664
GLY A 661
ALA A 715
ILE A  25
LEU A  36
 BGC  A2901 (-4.7A)
None
None
None
None
 1.05A 4kt0A-3actA:
2.4
4kt0J-3actA:
undetectable		 4kt0A-3actA:
21.08
4kt0J-3actA:
4.29
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		5 / 11 ASN A  96
GLY A  70
ALA A  69
ILE A 276
VAL A  65
 BGC  A1400 (-2.8A)
None
None
None
None
 1.00A 4l1aA-1nsvA:
undetectable		 4l1aA-1nsvA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		5 / 11 ASN A  96
GLY A  70
ALA A  69
ILE A 278
VAL A  65
 BGC  A1400 (-2.8A)
None
None
None
None
 0.93A 4l1aA-1nsvA:
undetectable		 4l1aA-1nsvA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		4 / 8 ASN X 237
ASP X  86
ASN X 210
ILE X 209
 BGC  X 501 (-3.8A)
None
BGC  X 501 (-3.2A)
None
 0.87A 4l7iA-3b8aX:
undetectable		 4l7iA-3b8aX:
22.37
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.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		 4yzt CELLULOSE HYDROLASE
(Bacillus
licheniformis) 		4 / 7 VAL A 297
ALA A 291
PHE A 287
TYR A 222
 None
None
None
BGC  A 803 ( 4.9A)
 1.03A 4lb2A-4yztA:
undetectable		 4lb2A-4yztA:
21.54
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.39A 4lbgA-1ua4A:
24.6		 4lbgA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LBG_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.38A 4lbgB-1ua4A:
24.6		 4lbgB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4lcaA-1ua4A:
24.6		 4lcaA-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LCA_B_ADNB401_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
ILE A 178
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
None
BGC  A2457 ( 2.7A)
 0.37A 4lcaB-1ua4A:
24.5		 4lcaB-1ua4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)		 4hz8 BETA-GLUCOSIDASE
(uncultured
bacterium) 		3 / 3 ASP A 160
TRP A 434
SER A 116
 None
BGC  A 501 (-3.6A)
None
 1.02A 4lrhB-4hz8A:
undetectable		 4lrhB-4hz8A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		3 / 3 ASP A 123
TRP A 401
SER A  79
 None
BGC  A 501 (-3.6A)
None
 0.98A 4lrhB-4ptxA:
undetectable		 4lrhB-4ptxA:
18.20
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.
4LRH_B_FOLB301_1
(FOLATE RECEPTOR
ALPHA)		 5gnx BETA-GLUCOSIDASE
(metagenome) 		3 / 3 ASP A 128
TRP A 405
SER A  84
 None
BGC  A 502 (-3.7A)
None
 1.07A 4lrhB-5gnxA:
undetectable		 4lrhB-5gnxA:
16.41
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.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		3 / 3 HIS A  39
TRP A 319
SER A  78
 None
BGC  A 403 ( 4.2A)
None
 1.10A 4lrhD-1eceA:
0.0		 4lrhD-1eceA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		3 / 3 ASP A 333
TRP A 423
SER A  53
 BGC  A 605 (-2.9A)
None
None
 1.07A 4lrhF-3wy2A:
undetectable		 4lrhF-3wy2A:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LRH_F_FOLF301_1
(FOLATE RECEPTOR
ALPHA)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		3 / 3 ASP A 123
TRP A 401
SER A  79
 None
BGC  A 501 (-3.6A)
None
 1.07A 4lrhF-4ptxA:
undetectable		 4lrhF-4ptxA:
18.20
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.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 4lvcA-2wabA:
5.2		 4lvcA-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_B_ADNB501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 4lvcB-2wabA:
5.3		 4lvcB-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LVC_C_ADNC501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.33A 4lvcC-2wabA:
2.0		 4lvcC-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MA3_L_ACTL301_0
(C2095 HEAVY CHAIN
C2095 LIGHT CHAIN)		 3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)
(Bacteroides
ovatus) 		3 / 3 PRO A 209
ASN A 296
HIS A 371
 None
BGC  A1518 (-2.8A)
BGC  A1518 ( 4.8A)
 1.02A 4ma3H-3zmrA:
3.6
4ma3L-3zmrA:
4.3		 4ma3H-3zmrA:
19.29
4ma3L-3zmrA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MGH_A_ACTA1322_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		4 / 4 GLU A 378
THR A 415
GLU A 176
LYS A 293
 BGC  A 551 (-3.3A)
None
None
BGC  A 551 (-3.2A)
 1.28A 4mghA-1b1yA:
0.4		 4mghA-1b1yA:
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.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		 3wv6 GALECTIN-9
(Homo
sapiens) 		4 / 7 ARG A  44
VAL A  73
GLU A  85
ARG A  87
 GAL  A 402 ( 4.9A)
None
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 1.32A 4mv7A-3wv6A:
undetectable		 4mv7A-3wv6A:
20.71
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.
4N48_B_SAMB601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 2y6g XYLANASE
(Rhodothermus
marinus) 		4 / 5 PRO A  77
GLY A  27
ASP A 111
ASP A  29
 None
None
None
BGC  A1173 (-3.7A)
 0.88A 4n48B-2y6gA:
undetectable		 4n48B-2y6gA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NC3_A_ERMA1202_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		5 / 12 VAL A 505
VAL A 497
PHE A 189
ALA A 468
VAL A 450
 None
BGC  A 616 (-4.9A)
None
None
None
 1.33A 4nc3A-4w8bA:
undetectable		 4nc3A-4w8bA:
20.52
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.
4NJT_B_017B101_2
(PROTEASE)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 10 LEU A 179
GLY A 188
ASP A 131
GLY A 306
ILE A 309
 None
BGC  A1001 (-3.5A)
BGC  A1001 (-3.0A)
None
None
 1.00A 4njtB-2q2rA:
undetectable		 4njtB-2q2rA:
14.13
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		3 / 3 LYS A 318
ASN A 367
ASP A 298
 BGC  A 402 (-2.9A)
None
BGC  A 402 (-2.7A)
 0.90A 4o1eA-4rxuA:
undetectable		 4o1eA-4rxuA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5kws GALACTOSE-BINDING
PROTEIN
(Yersinia
pestis) 		3 / 3 ASN A  91
ASP A  14
ASP A 212
 BGC  A 401 (-3.0A)
BGC  A 401 (-2.9A)
None
 0.75A 4obwD-5kwsA:
undetectable		 4obwD-5kwsA:
23.10
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.
4OLT_B_GCSB302_1
(CHITOSANASE)		 1js4 ENDO/EXOCELLULASE E4
(Thermobifida
fusca) 		4 / 5 THR A 427
THR A  69
ASP A 428
TYR A 206
 None
None
BGC  A6003 ( 4.5A)
None
 1.43A 4oltB-1js4A:
0.0		 4oltB-1js4A:
19.63
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.
4P6S_A_DAHA304_1
(TYROSINASE)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 5 ASN A 188
HIS A 142
GLU A 185
THR A 290
 BGC  A1367 (-3.8A)
BGC  A1367 (-4.0A)
None
None
 1.44A 4p6sA-5a8qA:
undetectable		 4p6sA-5a8qA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 503
GLN A 502
LEU A 501
GLY A 481
ALA A 508
 None
BGC  A 703 (-2.6A)
None
None
None
 1.17A 4pclA-5awpA:
undetectable		 4pclA-5awpA:
16.00
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.
4PCL_A_SAMA301_1
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 1ogo DEXTRANASE
(Talaromyces
minioluteus) 		4 / 5 SER X 460
GLU X 449
LYS X 447
ASP X 418
 None
BGC  X1575 (-3.1A)
BGC  X1575 (-2.9A)
GLC  X1576 (-4.1A)
 1.26A 4pclA-1ogoX:
undetectable		 4pclA-1ogoX:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.26A 4pfjB-2wabA:
5.5		 4pfjB-2wabA:
21.52
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.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		 3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)
(Streptomyces
matensis) 		3 / 3 CYH A 306
PRO A 230
ASP A 376
 BGC  A   4 (-4.8A)
None
None
 1.00A 4pm5A-3gd9A:
undetectable		 4pm5A-3gd9A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)
(Streptomyces
matensis) 		4 / 8 SER A 383
THR A 167
SER A 153
ASP A 170
 None
BGC  A   3 (-3.3A)
None
None
 1.15A 4qb9D-3gd9A:
undetectable		 4qb9D-3gd9A:
25.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 1w2u ENDOGLUCANASE
(Humicola
grisea) 		5 / 12 PHE A 137
TYR A 183
GLU A 120
TYR A 154
GLY A 153
 None
None
BGC  A 303 (-2.9A)
None
None
 1.39A 4qb9E-1w2uA:
undetectable		 4qb9E-1w2uA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		4 / 5 TYR A  36
SER A 337
ASP A 312
ASP A 267
 None
None
BGC  A 701 ( 4.0A)
None
 1.49A 4qtuB-5awpA:
undetectable		 4qtuB-5awpA:
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.
4QZT_A_ACTA202_0
(RETINOL-BINDING
PROTEIN 2)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		4 / 6 TYR A 337
GLU A 421
THR A 417
TRP A 343
 GLC  A 801 ( 4.0A)
None
BGC  A 802 (-3.0A)
GLC  A 801 (-4.4A)
 1.44A 4qztA-3wiqA:
undetectable		 4qztA-3wiqA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_C_ACTC202_0
(RETINOL-BINDING
PROTEIN 2)		 3wiq KOJIBIOSE
PHOSPHORYLASE
(Caldicellulosiru
ptor
saccharolyticus) 		4 / 6 TYR A 337
GLU A 421
THR A 417
TRP A 343
 GLC  A 801 ( 4.0A)
None
BGC  A 802 (-3.0A)
GLC  A 801 (-4.4A)
 1.46A 4qzuC-3wiqA:
undetectable		 4qzuC-3wiqA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_1
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		3 / 3 SER A 240
TYR A 193
ASP A 312
 None
None
BGC  A 701 ( 4.0A)
 0.65A 4rp8C-5awpA:
undetectable		 4rp8C-5awpA:
21.46
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.
4TZC_D_EF2D505_1
(PROTEIN CEREBLON)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		4 / 8 TYR A 667
TRP A 665
HIS A 594
PHE A 939
 BGC  A2144 (-4.5A)
None
None
None
 1.13A 4tzcB-2ya1A:
undetectable
4tzcD-2ya1A:
undetectable		 4tzcB-2ya1A:
6.68
4tzcD-2ya1A:
6.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TZU_B_Y70B505_1
(PROTEIN CEREBLON)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		4 / 7 HIS A 238
TRP A 212
TRP A 213
THR A 328
 None
None
BGC  A 401 ( 3.8A)
BGC  A 403 ( 4.5A)
 1.41A 4tzuB-1eceA:
0.0
4tzuC-1eceA:
0.0		 4tzuB-1eceA:
12.57
4tzuC-1eceA:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TZU_C_Y70C504_1
(PROTEIN CEREBLON)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		4 / 7 THR A 328
HIS A 238
TRP A 212
TRP A 213
 BGC  A 403 ( 4.5A)
None
None
BGC  A 401 ( 3.8A)
 1.27A 4tzuB-1eceA:
0.0
4tzuC-1eceA:
0.0		 4tzuB-1eceA:
12.57
4tzuC-1eceA:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U14_A_0HKA2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3)		 4wts BETA-1,3-GLUCANOSYLT
RANSFERASE
(Rhizomucor
miehei) 		4 / 4 ASN A 152
LEU A 227
PHE A 245
TYR A 212
 BGC  A 303 (-4.1A)
None
BGC  A 303 ( 4.4A)
None
 1.35A 4u14A-4wtsA:
undetectable		 4u14A-4wtsA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_A_0HKA2001_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 3b8a HEXOKINASE-1
(Saccharomyces
cerevisiae) 		3 / 3 ASN X 210
PHE X 240
TYR X 241
 BGC  X 501 (-3.2A)
None
None
 0.89A 4u15A-3b8aX:
undetectable		 4u15A-3b8aX:
21.72
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.
4UCI_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		4 / 4 SER A 155
ASP A 186
ASP A 243
ASP A 298
 None
BGC  A 402 (-2.7A)
None
BGC  A 402 (-2.7A)
 1.48A 4uciA-4rxuA:
1.5		 4uciA-4rxuA:
20.24
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.
4UCI_B_SAMB2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		4 / 4 SER A 155
ASP A 186
ASP A 243
ASP A 298
 None
BGC  A 402 (-2.7A)
None
BGC  A 402 (-2.7A)
 1.49A 4uciB-4rxuA:
undetectable		 4uciB-4rxuA:
20.24
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN
(Thermotoga
maritima) 		5 / 12 GLY A 102
GLY A 104
LEU A  23
ASP A  33
ALA A  90
 None
None
BGC  A 605 (-4.6A)
CA  A 606 ( 3.4A)
None
 1.10A 4uckB-4jsoA:
undetectable		 4uckB-4jsoA:
20.58
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.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		 3gbp GALACTOSE-BINDING
PROTEIN
(Salmonella
enterica) 		5 / 11 LEU A 255
ALA A 237
VAL A 235
ASP A 154
ASP A  14
 None
None
None
BGC  A 308 ( 3.4A)
BGC  A 308 ( 2.5A)
 1.38A 4uuuA-3gbpA:
undetectable
4uuuB-3gbpA:
undetectable		 4uuuA-3gbpA:
19.42
4uuuB-3gbpA:
19.42
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.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		 5kws GALACTOSE-BINDING
PROTEIN
(Yersinia
pestis) 		5 / 11 LEU A 255
ALA A 237
VAL A 235
ASP A 154
ASP A  14
 None
None
None
BGC  A 401 (-3.5A)
BGC  A 401 (-2.9A)
 1.37A 4uuuA-5kwsA:
undetectable
4uuuB-5kwsA:
undetectable		 4uuuA-5kwsA:
19.65
4uuuB-5kwsA:
19.65
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.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE
(Arthrobacter
sp.
KM) 		5 / 11 LEU A 163
ASP A 123
VAL A 146
THR A 148
ILE A 153
 None
BGC  A 290 (-2.9A)
None
None
None
 1.33A 4uuuB-1woqA:
undetectable		 4uuuB-1woqA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WQ4_B_ACTB403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 5lz6 GOLGI RESIDENT
PROTEIN GCP60
(Homo
sapiens) 		3 / 3 ARG A 485
ASP A 426
ARG A 484
 None
BGC  A 601 (-3.0A)
BGC  A 601 (-4.5A)
 0.62A 4wq4B-5lz6A:
undetectable		 4wq4B-5lz6A:
19.05
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4au0 EXOGLUCANASE 2
(Trichoderma
reesei) 		5 / 12 GLU A 219
ASP A 263
LEU A 299
ALA A 279
ASP A 175
 None
None
None
None
BGC  A 602 (-3.1A)
 1.04A 4xe5A-4au0A:
undetectable		 4xe5A-4au0A:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		5 / 11 PHE A 120
ALA B 705
VAL A 462
PHE A 115
GLY A 119
 None
None
None
BGC  A 913 ( 4.7A)
None
 1.19A 4xp4A-5ej1A:
undetectable		 4xp4A-5ej1A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		3 / 3 VAL A 102
PHE A 166
ARG A 400
 None
BGC  A 605 ( 3.8A)
BGC  A 605 (-3.0A)
 0.83A 4xr4B-3wy2A:
undetectable		 4xr4B-3wy2A:
23.17
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.
4XT7_A_TOPA302_1
(RV2671)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		5 / 11 ILE A  87
THR A 415
ASP A  51
GLU A 378
GLU A 184
 None
None
GLC  A 550 (-3.1A)
BGC  A 551 (-3.3A)
BGC  A 551 (-4.1A)
 1.42A 4xt7A-1b1yA:
undetectable		 4xt7A-1b1yA:
19.53
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.
4XT8_A_TMQA302_1
(RV2671)		 4f9o HEXOKINASE-1
(Homo
sapiens) 		5 / 12 ILE A 229
GLY A 414
ASP A 209
GLU A 294
THR A 210
 BGC  A1001 (-4.2A)
0NZ  A1002 (-3.1A)
BGC  A1001 ( 3.0A)
BGC  A1001 (-2.6A)
BGC  A1001 (-4.0A)
 1.31A 4xt8A-4f9oA:
undetectable		 4xt8A-4f9oA:
15.32
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		4 / 7 SER A  98
SER A 176
PHE A 147
GLU A  96
 BGC  A1339 ( 4.0A)
BGC  A1339 (-4.5A)
BGC  A1339 ( 3.7A)
BGC  A1339 ( 4.0A)
 1.47A 4xzkA-2wabA:
undetectable		 4xzkA-2wabA:
22.60
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 ASN A 231
TYR A 256
TYR A 312
PHE A 271
 None
BGC  A1367 (-4.6A)
None
None
 1.21A 4yv5A-5a8qA:
undetectable		 4yv5A-5a8qA:
16.16
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.
4YV5_B_SVRB207_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 7 ASN A 231
TYR A 256
TYR A 312
PHE A 271
 None
BGC  A1367 (-4.6A)
None
None
 1.19A 4yv5B-5a8qA:
undetectable		 4yv5B-5a8qA:
16.16
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.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		4 / 5 ARG A 149
GLY A 148
GLU A 204
SER A 551
 BGC  A 802 (-2.7A)
None
None
None
 1.24A 4z3oA-4zo6A:
undetectable
4z3oB-4zo6A:
4.2		 4z3oA-4zo6A:
24.50
4z3oB-4zo6A:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		4 / 5 ARG B 331
ARG B 413
GLY B 412
GLU B 386
 None
BGC  B 601 ( 3.1A)
None
BTB  B 603 (-2.9A)
 1.23A 4z3oA-5do8B:
undetectable
4z3oB-5do8B:
undetectable		 4z3oA-5do8B:
23.07
4z3oB-5do8B:
23.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4C_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 1od3 PUTATIVE XYLANASE
([Clostridium]
stercorarium) 		4 / 5 PHE A 135
PRO A 138
VAL A 139
PHE A 112
 None
BGC  A1152 (-4.4A)
None
BGC  A1151 (-3.9A)
 1.17A 4z4cA-1od3A:
undetectable		 4z4cA-1od3A:
11.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_A_SORA1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.13A 5a06A-5a05A:
57.4		 5a06A-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
ILE A 186
TYR A 189
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
None
BGC  A1343 (-4.2A)
 0.11A 5a06B-5a05A:
33.4		 5a06B-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.14A 5a06C-5a05A:
57.1		 5a06C-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_D_SORD1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.11A 5a06D-5a05A:
57.5		 5a06D-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_E_SORE1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.09A 5a06E-5a05A:
57.5		 5a06E-5a05A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5A06_F_SORF1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE
(Caulobacter
vibrioides) 		7 / 7 LYS A 104
ARG A 132
PHE A 163
ARG A 172
ASP A 185
TYR A 189
TYR A 267
 BGC  A1343 (-2.6A)
NDP  A1340 (-3.7A)
GLC  A1341 ( 3.6A)
NDP  A1340 (-2.8A)
BGC  A1343 ( 3.1A)
BGC  A1343 (-4.2A)
BGC  A1343 (-4.4A)
 0.16A 5a06F-5a05A:
57.4		 5a06F-5a05A:
100.00
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.
5AJQ_A_DB8A800_2
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 4f9o HEXOKINASE-1
(Homo
sapiens) 		4 / 4 VAL A 841
ILE A 705
ASN A 683
VAL A 509
 None
None
BGC  A1003 (-3.9A)
None
 1.24A 5ajqA-4f9oA:
undetectable		 5ajqA-4f9oA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		 6da0 GLUCOKINASE
(Naegleria
fowleri) 		4 / 8 GLY A 206
TYR A 267
ALA A 229
GLY A 210
 ANP  A 501 (-3.4A)
None
None
BGC  A 500 (-3.5A)
 0.82A 5albL-6da0A:
undetectable		 5albL-6da0A:
14.16
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.
5AXA_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 5axaA-2wabA:
2.5		 5axaA-2wabA:
21.37
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.
5AXA_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.29A 5axaC-2wabA:
2.4		 5axaC-2wabA:
21.37
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.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 5axdA-2wabA:
4.5		 5axdA-2wabA:
21.37
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.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 5axdC-2wabA:
2.5		 5axdC-2wabA:
21.37
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.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 5kws GALACTOSE-BINDING
PROTEIN
(Yersinia
pestis) 		5 / 12 THR A 159
GLU A 156
THR A 110
GLY A 148
HIS A 152
 None
None
None
None
BGC  A 401 (-3.9A)
 1.33A 5axdC-5kwsA:
3.9		 5axdC-5kwsA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 6 TYR A 505
GLY A 576
SER A 573
LEU A 574
 BGC  A 702 (-4.6A)
None
None
BGC  A 702 ( 4.0A)
 1.04A 5bphA-4tz5A:
undetectable		 5bphA-4tz5A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 7 TYR A 505
GLY A 576
SER A 573
LEU A 574
 BGC  A 702 (-4.6A)
None
None
BGC  A 702 ( 4.0A)
 1.04A 5bphB-4tz5A:
undetectable		 5bphB-4tz5A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 4 TYR A 505
GLY A 575
SER A 573
LEU A 574
 BGC  A 702 (-4.6A)
None
None
BGC  A 702 ( 4.0A)
 1.30A 5bphC-4tz5A:
undetectable		 5bphC-4tz5A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 4 TYR A 505
GLY A 576
SER A 573
LEU A 574
 BGC  A 702 (-4.6A)
None
None
BGC  A 702 ( 4.0A)
 1.07A 5bphC-4tz5A:
undetectable		 5bphC-4tz5A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BPH_D_ACTD403_0
(D-ALANINE--D-ALANINE
LIGASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		4 / 6 TYR A 505
GLY A 576
SER A 573
LEU A 574
 BGC  A 702 (-4.6A)
None
None
BGC  A 702 ( 4.0A)
 1.02A 5bphD-4tz5A:
undetectable		 5bphD-4tz5A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3u4a JMB19063
(compost
metagenome) 		4 / 7 ASP A 194
ARG A 142
GLY A 487
GLU A 145
 None
BGC  A 776 (-2.9A)
None
None
 0.87A 5bs8A-3u4aA:
undetectable
5bs8C-3u4aA:
undetectable
5bs8D-3u4aA:
2.6		 5bs8A-3u4aA:
21.82
5bs8C-3u4aA:
21.82
5bs8D-3u4aA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3u4a JMB19063
(compost
metagenome) 		4 / 7 ASP A 194
ARG A 142
GLY A 487
GLU A 145
 None
BGC  A 776 (-2.9A)
None
None
 0.85A 5btaA-3u4aA:
undetectable
5btaC-3u4aA:
undetectable
5btaD-3u4aA:
2.6		 5btaA-3u4aA:
21.90
5btaC-3u4aA:
21.90
5btaD-3u4aA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 5xxo PERIPLASMIC
BETA-GLUCOSIDASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 220
ARG A 168
GLY A 522
GLU A 171
 None
BGC  A 802 (-3.0A)
None
None
 0.86A 5btaA-5xxoA:
undetectable
5btaC-5xxoA:
undetectable
5btaD-5xxoA:
undetectable		 5btaA-5xxoA:
9.96
5btaC-5xxoA:
9.96
5btaD-5xxoA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3u4a JMB19063
(compost
metagenome) 		4 / 7 ASP A 194
ARG A 142
GLY A 487
GLU A 145
 None
BGC  A 776 (-2.9A)
None
None
 0.86A 5btgA-3u4aA:
undetectable
5btgC-3u4aA:
undetectable
5btgD-3u4aA:
2.6		 5btgA-3u4aA:
21.82
5btgC-3u4aA:
21.82
5btgD-3u4aA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 3vgl GLUCOKINASE
(Streptomyces
griseus) 		5 / 12 GLY A 260
GLY A 131
GLY A 133
LEU A 134
ALA A 294
 ANP  A 325 ( 4.1A)
ANP  A 325 (-3.0A)
BGC  A 324 ( 3.9A)
None
None
 0.97A 5c0oF-3vglA:
undetectable		 5c0oF-3vglA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 12 ALA A 111
GLY A  93
GLY A 101
GLY A  98
GLU A 236
 None
BGC  A1001 (-3.1A)
None
None
BGC  A1001 (-2.6A)
 0.98A 5c0oG-2q2rA:
undetectable		 5c0oG-2q2rA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		5 / 12 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 1.35A 5cprB-4zo6A:
undetectable		 5cprB-4zo6A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		3 / 3 HIS A 310
SER A 157
ASN A 220
 BGC  A1338 (-4.0A)
None
None
 0.81A 5cprB-2wabA:
undetectable		 5cprB-2wabA:
18.95
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.34A 5csyB-2ya1A:
16.3		 5csyB-2ya1A:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
ASP A 202
GLU A 271
GLY A 228
HIS A 332
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
None
BGC  A 605 (-3.9A)
 1.08A 5csyB-3wy2A:
17.5		 5csyB-3wy2A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
 0.46A 5csyB-3wy2A:
17.5		 5csyB-3wy2A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		5 / 12 ARG A 200
ASP A 202
GLY A 273
HIS A 332
ASP A 333
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
None
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
 0.69A 5csyB-3wy2A:
17.5		 5csyB-3wy2A:
22.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC
(Arabidopsis
thaliana) 		12 / 12 ASP A 329
LEU A 330
GLN A 336
TRP A 338
ARG A 371
ASP A 373
GLU A 420
GLY A 423
PHE A 446
HIS A 456
HIS A 472
ASP A 473
 GLC  A 608 ( 3.5A)
BGC  A 609 ( 3.6A)
AGL  A 607 ( 3.6A)
HMC  A 606 ( 3.6A)
HMC  A 606 ( 3.7A)
HMC  A 606 ( 3.0A)
AGL  A 607 ( 2.7A)
GLC  A 608 ( 3.6A)
BGC  A 609 ( 4.1A)
BGC  A 609 ( 4.3A)
HMC  A 606 ( 3.8A)
HMC  A 606 ( 2.8A)
 0.31A 5csyB-5csuA:
60.3		 5csyB-5csuA:
100.00
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		6 / 12 ARG B 195
ASP B 197
GLU B 254
HIS B 282
HIS B 327
ASP B 328
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
None
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
 1.27A 5csyB-5do8B:
17.2		 5csyB-5do8B:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DV4_A_NMYA601_1
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 6da0 GLUCOKINASE
(Naegleria
fowleri) 		5 / 12 LEU A 319
ASN A 155
LEU A 194
PHE A 337
ILE A 164
 None
BGC  A 500 (-3.4A)
None
None
None
 1.25A 5dv4A-6da0A:
undetectable		 5dv4A-6da0A:
10.32
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.
5DV4_A_NMYA601_2
(CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT
6-LIKE)		 3wq1 ENDOGLUCANASE A
(Pyrococcus
furiosus) 		3 / 3 GLU A 127
TRP A  84
ASN A 136
 BGC  A 413 ( 4.9A)
BGC  A 413 (-3.8A)
BGC  A 412 ( 3.9A)
 1.13A 5dv4A-3wq1A:
undetectable		 5dv4A-3wq1A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		5 / 11 GLU A 304
GLN A 306
GLY A  66
TYR A  60
ALA A  69
 BGC  A1400 ( 4.8A)
None
None
BGC  A1400 ( 4.8A)
None
 1.28A 5e3iB-1nsvA:
undetectable		 5e3iB-1nsvA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		4 / 6 TYR A 248
GLY A 510
GLU A 509
ASP A 437
 BGC  A 943 ( 4.5A)
None
BGC  A 942 (-3.1A)
BGC  A 943 ( 4.8A)
 1.33A 5emlA-4iigA:
3.9		 5emlA-4iigA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		4 / 6 TYR A 245
GLY A 506
GLU A 505
ASP A 433
 BGC  A 946 (-4.7A)
None
BGC  A 946 (-3.3A)
None
 1.33A 5emlA-5ju6A:
2.7		 5emlA-5ju6A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 4nfu EDS1
(Arabidopsis
thaliana) 		4 / 7 GLY A  78
GLU A 449
ASP A 446
ASP A  81
 None
None
BGC  A 701 (-3.6A)
None
 0.83A 5ergB-4nfuA:
undetectable		 5ergB-4nfuA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GQB_A_GCSA605_1
(CHITINASE)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		3 / 3 TRP A 171
ILE A 200
SER A 197
 BGC  A 603 ( 4.3A)
None
None
 1.04A 5gqbA-4w8bA:
11.6		 5gqbA-4w8bA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWX_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 4i3g BETA-GLUCOSIDASE
(Streptomyces
venezuelae) 		5 / 12 PHE A 237
GLY A  81
MET A 291
GLY A 149
LEU A 105
 None
None
BGC  A 901 ( 4.0A)
None
None
 1.05A 5gwxA-4i3gA:
2.8		 5gwxA-4i3gA:
16.33
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		3 / 3 ARG A  71
ASN A  96
ASP A  58
 BGC  A1400 (-2.9A)
BGC  A1400 (-2.8A)
None
 0.81A 5gwxA-1nsvA:
undetectable		 5gwxA-1nsvA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 2bod ENDOGLUCANASE E-2
(Thermobifida
fusca) 		4 / 6 LYS X 259
ARG X 221
GLY X 266
ASP X 233
 BGC  X1289 ( 2.7A)
BGC  X1289 ( 4.7A)
None
None
 1.20A 5hp1A-2bodX:
undetectable		 5hp1A-2bodX:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGI_A_ZITA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 3vgl GLUCOKINASE
(Streptomyces
griseus) 		5 / 12 ILE A  44
VAL A 102
VAL A  75
GLY A 135
THR A 129
 None
None
None
BGC  A 324 (-3.5A)
None
 1.22A 5igiA-3vglA:
undetectable		 5igiA-3vglA:
24.14
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4nfu EDS1
(Arabidopsis
thaliana) 		5 / 12 ILE A 142
GLY A 510
ASN A 509
GLU A 447
ILE A  77
 None
None
None
BGC  A 701 ( 4.5A)
None
 1.15A 5igyA-4nfuA:
undetectable		 5igyA-4nfuA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		5 / 12 GLY A 308
ALA A 405
SER A 113
ILE A 114
PHE A 115
 None
None
None
BGC  A 914 ( 4.7A)
BGC  A 913 ( 4.7A)
 1.16A 5igyA-5ej1A:
0.0		 5igyA-5ej1A:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		4 / 6 TYR A 277
ILE A 300
TYR A 299
TYR A 200
 None
None
None
BGC  A 351 (-4.3A)
 1.24A 5igyA-1cenA:
undetectable		 5igyA-1cenA:
22.56
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.
5IH0_A_ACTA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5gw7 GLUCOSIDASE YGJK
(Escherichia
coli) 		4 / 6 PHE A 742
PRO A 740
THR A 289
ILE A 725
 BGC  A1003 (-4.2A)
None
None
None
 1.21A 5ih0A-5gw7A:
1.7		 5ih0A-5gw7A:
18.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JSD_A_1GNA607_1
(PHIAB6 TAILSPIKE)		 5jse PHIAB6 TAILSPIKE
(unidentified
phage) 		3 / 3 THR A 301
SER A 331
TYR A 333
 1GN  A 608 (-3.8A)
1GN  A 608 (-2.6A)
BGC  A 604 (-3.5A)
 0.05A 5jsdA-5jseA:
56.3		 5jsdA-5jseA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JSD_B_1GNB618_1
(PHIAB6 TAILSPIKE)		 5jse PHIAB6 TAILSPIKE
(unidentified
phage) 		3 / 3 THR A 301
SER A 331
TYR A 333
 1GN  A 608 (-3.8A)
1GN  A 608 (-2.6A)
BGC  A 604 (-3.5A)
 0.04A 5jsdB-5jseA:
56.2		 5jsdB-5jseA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JSD_C_1GNC608_1
(PHIAB6 TAILSPIKE)		 5jse PHIAB6 TAILSPIKE
(unidentified
phage) 		3 / 3 THR A 301
SER A 331
TYR A 333
 1GN  A 608 (-3.8A)
1GN  A 608 (-2.6A)
BGC  A 604 (-3.5A)
 0.05A 5jsdC-5jseA:
53.2		 5jsdC-5jseA:
100.00
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.40A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
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.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 ASP A 440
GLY A 437
ALA A 268
GLY A 111
ASP A  34
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 4.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 0.72A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		4 / 8 ARG A 200
GLU A 197
GLY A 146
PRO A 147
 BGC  A 942 (-3.8A)
None
None
None
 1.16A 5kf8A-4iigA:
undetectable		 5kf8A-4iigA:
16.86
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		4 / 8 ARG A 200
GLU A 197
GLY A 146
PRO A 147
 BGC  A 942 (-3.8A)
None
None
None
 1.03A 5kgpA-4iigA:
undetectable		 5kgpA-4iigA:
16.86
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.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		4 / 8 ARG A 200
GLU A 197
GLY A 146
PRO A 147
 BGC  A 942 (-3.8A)
None
None
None
 1.02A 5kgpB-4iigA:
undetectable		 5kgpB-4iigA:
16.86
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.
5KPC_A_SAMA401_1
(PAVINE
N-METHYLTRANSFERASE)		 5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE
(Rhodococcus
hoagii) 		4 / 5 PHE A 340
SER A 339
GLN A 317
ASP A 325
 None
BGC  A 604 ( 4.5A)
None
None
 1.38A 5kpcA-5j7zA:
undetectable		 5kpcA-5j7zA:
22.60
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.
5LAK_I_BEZI1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		3 / 3 SER A 297
TYR A 296
TYR A 295
 None
BGC  A 501 (-4.1A)
None
 0.78A 5lakA-4ptxA:
undetectable
5lakI-4ptxA:
undetectable		 5lakA-4ptxA:
22.48
5lakI-4ptxA:
4.17
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.
5LAK_J_BEZJ1_0
(3CL PROTEASE
BEZ-TYR-TYR-ASN-ECC
PEPTIDE INHIBITOR)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		3 / 3 SER A 297
TYR A 296
TYR A 295
 None
BGC  A 501 (-4.1A)
None
 0.68A 5lakC-4ptxA:
undetectable
5lakJ-4ptxA:
undetectable		 5lakC-4ptxA:
22.48
5lakJ-4ptxA:
4.17
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		5 / 12 VAL B 101
ASP B  99
PHE B 142
THR B 387
ARG B 195
 None
None
BGC  B 601 (-4.9A)
None
BGC  B 601 (-3.4A)
 1.34A 5m54B-5do8B:
2.5		 5m54B-5do8B:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		5 / 12 VAL B 198
HIS B 104
PHE B 142
GLN B  59
ARG B 195
 BGC  B 601 ( 4.6A)
BGC  B 601 (-4.0A)
BGC  B 601 (-4.9A)
None
BGC  B 601 (-3.4A)
 1.17A 5m54B-5do8B:
2.5		 5m54B-5do8B:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		5 / 12 VAL B 198
HIS B 104
PHE B 142
GLN B  59
ARG B 195
 BGC  B 601 ( 4.6A)
BGC  B 601 (-4.0A)
BGC  B 601 (-4.9A)
None
BGC  B 601 (-3.4A)
 1.19A 5m54E-5do8B:
2.7		 5m54E-5do8B:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.29A 5m5kA-2wabA:
2.0		 5m5kA-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 5m5kB-2wabA:
4.9		 5m5kB-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 5m5kC-2wabA:
2.3		 5m5kC-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 5m66A-2wabA:
5.3		 5m66A-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.33A 5m66B-2wabA:
5.5		 5m66B-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 5m66C-2wabA:
5.3		 5m66C-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.36A 5m66C-2wabA:
5.3		 5m66C-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 5m66D-2wabA:
5.3		 5m66D-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.35A 5m66D-2wabA:
5.3		 5m66D-2wabA:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 3u4a JMB19063
(compost
metagenome) 		10 / 12 ASP A  84
PHE A 128
ARG A 142
LYS A 181
HIS A 182
MET A 225
TYR A 262
MET A 292
TRP A 400
GLU A 488
 BGC  A 776 (-2.8A)
BGC  A 776 (-4.4A)
BGC  A 776 (-2.9A)
BGC  A 776 (-2.7A)
BGC  A 776 (-4.1A)
BGC  A 776 (-3.7A)
None
BGC  A 776 ( 3.8A)
None
BGC  A 776 ( 3.1A)
 0.48A 5m6gA-3u4aA:
38.1		 5m6gA-3u4aA:
30.16
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 4i3g BETA-GLUCOSIDASE
(Streptomyces
venezuelae) 		7 / 12 ASP A  98
ARG A 162
LYS A 195
HIS A 196
MET A 238
MET A 291
GLU A 578
 BGC  A 901 (-2.9A)
BGC  A 901 (-3.0A)
BGC  A 901 (-2.8A)
BGC  A 901 (-4.0A)
BGC  A 901 (-4.1A)
BGC  A 901 ( 4.0A)
BGC  A 901 (-3.2A)
 0.41A 5m6gA-4i3gA:
32.2		 5m6gA-4i3gA:
27.39
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		6 / 12 ASP A  92
ARG A 156
LYS A 189
HIS A 190
MET A 245
GLU A 509
 BGC  A 942 (-2.8A)
BGC  A 942 (-2.9A)
BGC  A 942 (-2.8A)
BGC  A 942 (-4.1A)
BGC  A 942 (-4.0A)
BGC  A 942 (-3.1A)
 0.42A 5m6gA-4iigA:
32.9		 5m6gA-4iigA:
23.39
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		10 / 12 LEU A  61
ASP A  91
PHE A 135
ARG A 149
LYS A 191
HIS A 192
MET A 235
MET A 302
TRP A 409
GLU A 473
 None
BGC  A 802 (-3.0A)
BGC  A 802 (-4.3A)
BGC  A 802 (-2.7A)
BGC  A 802 (-2.7A)
BGC  A 802 (-4.0A)
BGC  A 802 (-3.8A)
BGC  A 802 ( 3.7A)
BGC  A 803 (-3.4A)
BGC  A 801 ( 2.8A)
 0.66A 5m6gA-4zo6A:
37.8		 5m6gA-4zo6A:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		7 / 12 LEU A  61
GLY A  62
ASP A  91
PHE A 135
LYS A 191
MET A 235
MET A 302
 None
None
BGC  A 802 (-3.0A)
BGC  A 802 (-4.3A)
BGC  A 802 (-2.7A)
BGC  A 802 (-3.8A)
BGC  A 802 ( 3.7A)
 1.46A 5m6gA-4zo6A:
37.8		 5m6gA-4zo6A:
29.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 5jp0 BETA-GLUCOSIDASE
BOGH3B
(Bacteroides
ovatus) 		10 / 12 LEU A  94
ASP A 131
PHE A 180
ARG A 194
LYS A 235
HIS A 236
MET A 279
MET A 347
TRP A 454
GLU A 534
 None
BGC  A 801 (-3.0A)
BGC  A 801 ( 4.7A)
BGC  A 801 (-2.9A)
BGC  A 801 (-2.8A)
BGC  A 801 (-4.1A)
BGC  A 801 (-3.6A)
BGC  A 801 ( 3.7A)
None
BGC  A 801 (-2.6A)
 0.42A 5m6gA-5jp0A:
41.9		 5m6gA-5jp0A:
32.44
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		6 / 12 ASP A  92
ARG A 156
LYS A 189
HIS A 190
MET A 242
GLU A 505
 BGC  A 946 (-3.0A)
BGC  A 946 (-2.9A)
BGC  A 946 (-2.5A)
BGC  A 946 (-3.7A)
BGC  A 946 (-3.9A)
BGC  A 946 (-3.3A)
 0.47A 5m6gA-5ju6A:
31.0		 5m6gA-5ju6A:
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.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 5xxo PERIPLASMIC
BETA-GLUCOSIDASE
(Bacteroides
thetaiotaomicron) 		10 / 12 ASP A 110
PHE A 154
ARG A 168
LYS A 207
HIS A 208
MET A 251
TYR A 287
MET A 317
TRP A 435
GLU A 523
 BGC  A 802 (-3.0A)
BGC  A 802 (-4.4A)
BGC  A 802 (-3.0A)
BGC  A 802 (-2.9A)
BGC  A 802 (-4.1A)
BGC  A 802 (-3.7A)
None
BGC  A 802 ( 3.8A)
None
BGC  A 802 (-2.6A)
 0.43A 5m6gA-5xxoA:
43.5		 5m6gA-5xxoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M6G_A_SORA711_0
(BETA-GLUCOSIDASE)		 5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN
(Bifidobacterium
longum) 		10 / 12 LEU A  67
ASP A  96
PHE A 145
ARG A 159
LYS A 202
HIS A 203
MET A 246
MET A 314
TRP A 422
GLU A 524
 None
BGC  A 801 (-3.0A)
BGC  A 801 (-4.6A)
BGC  A 801 (-2.6A)
BGC  A 801 (-2.8A)
BGC  A 801 (-3.9A)
BGC  A 801 (-3.7A)
BGC  A 801 (-4.3A)
None
BGC  A 801 (-2.6A)
 0.56A 5m6gA-5z9sA:
37.9		 5m6gA-5z9sA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MRA_B_DM2B204_1
(SORCIN)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		4 / 6 PHE A 153
ARG A  64
ASP A 273
GLY A 296
 None
BGC  A 402 (-3.9A)
None
None
 1.25A 5mraA-4rxuA:
undetectable
5mraB-4rxuA:
undetectable		 5mraA-4rxuA:
18.95
5mraB-4rxuA:
18.95
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.
5MRA_B_DM2B204_1
(SORCIN)		 4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER
(Lachnoclostridiu
m
phytofermentans) 		4 / 6 PHE A 118
ARG A  29
ASP A 226
GLY A 249
 None
BGC  A 403 (-4.0A)
None
None
 1.21A 5mraA-4ys6A:
undetectable
5mraB-4ys6A:
undetectable		 5mraA-4ys6A:
21.64
5mraB-4ys6A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N8J_E_DVAE7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 5e7g IPT/TIG
DOMAIN-CONTAINING
PROTEIN BACOVA_02650
(Bacteroides
ovatus) 		3 / 3 TYR A 466
SER A 368
TRP A 364
 XYS  A 504 ( 3.1A)
None
BGC  A 507 (-3.2A)
 1.02A 5n8jB-5e7gA:
undetectable		 5n8jB-5e7gA:
18.20
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.
5N8J_O_DVAO7_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 5e7g IPT/TIG
DOMAIN-CONTAINING
PROTEIN BACOVA_02650
(Bacteroides
ovatus) 		3 / 3 TYR A 466
SER A 368
TRP A 364
 XYS  A 504 ( 3.1A)
None
BGC  A 507 (-3.2A)
 1.03A 5n8jA-5e7gA:
undetectable		 5n8jA-5e7gA:
18.20
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.
5N8J_P_DVAP5_0
(GLY-DTY-GLY-DLE-DAL-
DSG-DVA-DAS-DGL-DSN-
DSN-GLY
STREPTAVIDIN)		 5e7g IPT/TIG
DOMAIN-CONTAINING
PROTEIN BACOVA_02650
(Bacteroides
ovatus) 		3 / 3 TYR A 466
SER A 368
TRP A 364
 XYS  A 504 ( 3.1A)
None
BGC  A 507 (-3.2A)
 1.05A 5n8jD-5e7gA:
undetectable		 5n8jD-5e7gA:
18.20
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.
5NN8_A_ACRA1016_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		4 / 5 ASP A 268
GLY A 273
PRO A 270
TRP A 248
 None
None
None
BGC  A 507 (-3.8A)
 1.43A 5nn8A-4e2oA:
13.8		 5nn8A-4e2oA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 5gw7 GLUCOSIDASE YGJK
(Escherichia
coli) 		4 / 8 TRP A 323
TRP A 744
THR A 666
TRP A 685
 BGC  A1003 (-3.9A)
None
None
None
 1.42A 5tzoA-5gw7A:
undetectable		 5tzoA-5gw7A:
13.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5U6N_A_SALA505_1
(UDP-GLYCOSYLTRANSFER
ASE 74F2)		 5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2
(Arabidopsis
thaliana) 		7 / 8 HIS A  18
PHE A 113
GLN A 134
MET A 183
MET A 274
TRP A 364
THR A 365
 7WV  A 504 (-4.6A)
7WV  A 504 (-4.8A)
7WV  A 504 (-3.0A)
None
7WV  A 504 ( 3.5A)
BGC  A 501 (-4.2A)
7WV  A 504 (-3.2A)
 0.31A 5u6nA-5u6sA:
66.1		 5u6nA-5u6sA:
99.78
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.
5UIZ_A_CUA301_0
(AA10A)		 5n05 AUXILIARY ACTIVITY 9
(Lentinus
similis) 		4 / 5 ALA A  75
HIS A  78
GLN A 162
TYR A 164
 BGC  A 305 (-3.6A)
CU  A 301 ( 3.2A)
CL  A 309 (-3.3A)
HIC  A   1 (-3.9A)
 0.73A 5uizA-5n05A:
7.8		 5uizA-5n05A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		4 / 6 ASN B  62
PRO B  17
ASP B  61
TYR B  64
 None
None
BGC  B 601 (-2.8A)
BGC  B 601 (-3.8A)
 1.22A 5umd2-5do8B:
undetectable
5umdF-5do8B:
undetectable		 5umd2-5do8B:
9.60
5umdF-5do8B:
8.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 2ypj ENDOGLUCANASE CEL5A
([Eubacterium]
cellulosolvens) 		4 / 7 LEU A 683
TRP A 646
GLU A 612
SER A 609
 None
BGC  A1712 (-3.9A)
XYS  A1715 ( 4.9A)
None
 1.27A 5umwA-2ypjA:
undetectable
5umwF-2ypjA:
undetectable		 5umwA-2ypjA:
30.46
5umwF-2ypjA:
30.46
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 4i3g BETA-GLUCOSIDASE
(Streptomyces
venezuelae) 		4 / 7 ARG A 104
ASP A  98
LEU A 148
SER A 272
 BGC  A 901 ( 4.9A)
BGC  A 901 (-2.9A)
BGC  A 901 ( 4.1A)
None
 1.02A 5uxcA-4i3gA:
undetectable		 5uxcA-4i3gA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		 4f9o HEXOKINASE-1
(Homo
sapiens) 		5 / 12 LEU A 397
ILE A 393
ALA A 236
THR A 210
GLY A 218
 None
None
None
BGC  A1001 (-4.0A)
None
 1.07A 5veuH-4f9oA:
undetectable		 5veuH-4f9oA:
19.26
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		4 / 7 GLY A  75
TYR A 507
TRP A  68
ASP A  92
 None
None
None
BGC  A 946 (-3.0A)
 1.03A 5vlmE-5ju6A:
undetectable		 5vlmE-5ju6A:
11.78
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.
5VLM_G_CVIG301_1
(REGULATORY PROTEIN
TETR)		 5ju6 BETA-GLUCOSIDASE
(Rasamsonia
emersonii) 		4 / 7 GLY A  75
TYR A 507
TRP A  68
ASP A  92
 None
None
None
BGC  A 946 (-3.0A)
 1.08A 5vlmG-5ju6A:
undetectable		 5vlmG-5ju6A:
11.78
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1ua4 ADP-DEPENDENT
GLUCOKINASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 233
ASP A 440
GLY A 111
ASN A  32
ILE A 116
 None
BGC  A2457 ( 2.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.5A)
None
 0.84A 5vopA-1ua4A:
3.3		 5vopA-1ua4A:
22.75
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.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 7 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.22A 5w97C-4w8bA:
undetectable
5w97a-4w8bA:
undetectable
5w97c-4w8bA:
undetectable		 5w97C-4w8bA:
22.14
5w97a-4w8bA:
19.46
5w97c-4w8bA:
22.14
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.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 7 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.16A 5wauC-4w8bA:
undetectable
5waua-4w8bA:
undetectable
5wauc-4w8bA:
undetectable		 5wauC-4w8bA:
22.14
5waua-4w8bA:
19.46
5wauc-4w8bA:
22.14
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.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		5 / 12 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 0.99A 5wbvA-4zo6A:
undetectable		 5wbvA-4zo6A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 4zo6 LIN1840 PROTEIN
(Listeria
innocua) 		5 / 12 GLY A  58
ALA A  57
PHE A  88
SER A  63
PHE A 135
 None
None
None
None
BGC  A 802 (-4.3A)
 0.99A 5wbvB-4zo6A:
undetectable		 5wbvB-4zo6A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_C_SAMC601_0
(NS5
METHYLTRANSFERASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		5 / 12 GLY A 166
GLY A 185
THR A 132
ASP A 136
ILE A 111
 None
None
None
BGC  A 709 ( 4.5A)
None
 1.03A 5wz1C-4tz5A:
undetectable		 5wz1C-4tz5A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_E_SAME601_0
(NS5
METHYLTRANSFERASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		5 / 12 GLY A 166
GLY A 185
THR A 132
ASP A 136
ILE A 111
 None
None
None
BGC  A 709 ( 4.5A)
None
 1.01A 5wz1E-4tz5A:
undetectable		 5wz1E-4tz5A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_F_SAMF601_0
(NS5
METHYLTRANSFERASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		5 / 12 GLY A 166
GLY A 185
THR A 132
ASP A 136
ILE A 111
 None
None
None
BGC  A 709 ( 4.5A)
None
 1.05A 5wz1F-4tz5A:
undetectable		 5wz1F-4tz5A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_G_SAMG601_0
(NS5
METHYLTRANSFERASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		5 / 12 GLY A 166
GLY A 185
THR A 132
ASP A 136
ILE A 111
 None
None
None
BGC  A 709 ( 4.5A)
None
 1.00A 5wz1G-4tz5A:
undetectable		 5wz1G-4tz5A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_H_SAMH601_0
(NS5
METHYLTRANSFERASE)		 4tz5 PUTATIVE SECRETED
PROTEIN
(Streptomyces
sp.
SirexAA-E) 		5 / 12 GLY A 166
GLY A 185
THR A 132
ASP A 136
ILE A 111
 None
None
None
BGC  A 709 ( 4.5A)
None
 1.00A 5wz1H-4tz5A:
undetectable		 5wz1H-4tz5A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.14A 5x19A-4w8bA:
undetectable
5x19C-4w8bA:
undetectable
5x19P-4w8bA:
undetectable		 5x19A-4w8bA:
19.46
5x19C-4w8bA:
22.14
5x19P-4w8bA:
22.14
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 7 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.15A 5x1fA-4w8bA:
undetectable
5x1fC-4w8bA:
undetectable
5x1fP-4w8bA:
undetectable		 5x1fA-4w8bA:
19.46
5x1fC-4w8bA:
22.14
5x1fP-4w8bA:
22.14
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.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.15A 5xdqA-4w8bA:
undetectable
5xdqC-4w8bA:
undetectable
5xdqP-4w8bA:
undetectable		 5xdqA-4w8bA:
19.46
5xdqC-4w8bA:
22.14
5xdqP-4w8bA:
22.14
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.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.16A 5xdqC-4w8bA:
undetectable
5xdqN-4w8bA:
undetectable
5xdqP-4w8bA:
undetectable		 5xdqC-4w8bA:
22.14
5xdqN-4w8bA:
19.46
5xdqP-4w8bA:
22.14
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.20A 5xdxC-4w8bA:
undetectable
5xdxN-4w8bA:
undetectable
5xdxP-4w8bA:
undetectable		 5xdxC-4w8bA:
22.14
5xdxN-4w8bA:
19.46
5xdxP-4w8bA:
22.14
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.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE
(uncultured
bacterium) 		3 / 3 GLU A 240
TRP A 250
HIS A 195
 BGC  A 502 ( 3.2A)
BGC  A 502 ( 3.8A)
None
 1.06A 5xipA-4w87A:
undetectable		 5xipA-4w87A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		3 / 3 THR A 290
GLU A 185
HIS A 142
 None
None
BGC  A1367 (-4.0A)
 0.88A 5xiqB-5a8qA:
undetectable		 5xiqB-5a8qA:
20.62
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.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE
(Rhodococcus
hoagii) 		3 / 3 THR A 338
GLU A 210
HIS A 131
 None
None
BGC  A 604 (-4.5A)
 0.90A 5xiqB-5j7zA:
undetectable		 5xiqB-5j7zA:
19.44
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.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		3 / 3 THR A 290
GLU A 185
HIS A 142
 None
None
BGC  A1367 (-4.0A)
 0.90A 5xiqD-5a8qA:
undetectable		 5xiqD-5a8qA:
20.62
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.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 5j7z PUTATIVE SECRETED
ENDOGLYCOSYLCERAMIDA
SE
(Rhodococcus
hoagii) 		3 / 3 THR A 338
GLU A 210
HIS A 131
 None
None
BGC  A 604 (-4.5A)
 0.92A 5xiqD-5j7zA:
undetectable		 5xiqD-5j7zA:
19.44
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.
5Y9M_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 5ej1 PUTATIVE CELLULOSE
SYNTHASE
(Rhodobacter
sphaeroides) 		4 / 8 LEU A 145
VAL A 244
VAL A 242
ASP A 343
 None
None
None
BGC  A 918 ( 3.8A)
 0.71A 5y9mX-5ej1A:
undetectable		 5y9mX-5ej1A:
7.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 GLY A 129
SER A 176
CYH A 259
PHE A 296
TYR A 158
 None
BGC  A1339 (-4.5A)
None
None
None
 1.18A 5yf0A-2wabA:
3.5		 5yf0A-2wabA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		4 / 8 HIS A 238
TRP A 212
TRP A 213
THR A 328
 None
None
BGC  A 401 ( 3.8A)
BGC  A 403 ( 4.5A)
 1.33A 5yj1G-1eceA:
0.0
5yj1Y-1eceA:
0.0		 5yj1G-1eceA:
18.28
5yj1Y-1eceA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		4 / 8 THR A 328
HIS A 238
TRP A 212
TRP A 213
 BGC  A 403 ( 4.5A)
None
None
BGC  A 401 ( 3.8A)
 1.28A 5yj1k-1eceA:
0.0
5yj1t-1eceA:
0.0		 5yj1k-1eceA:
18.28
5yj1t-1eceA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YOD_H_BEZH201_0
(NS3 PROTEASE)		 5a8q PUTATIVE RETAINING
B-GLYCOSIDASE
(Saccharophagus
degradans) 		4 / 5 HIS A 303
SER A 337
TYR A 300
GLY A 301
 BGC  A1366 ( 3.7A)
BGC  A1368 (-3.5A)
None
None
 0.83A 5yodH-5a8qA:
undetectable		 5yodH-5a8qA:
20.90
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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.14A 5z84A-4w8bA:
undetectable
5z84C-4w8bA:
undetectable
5z84P-4w8bA:
undetectable		 5z84A-4w8bA:
19.46
5z84C-4w8bA:
22.14
5z84P-4w8bA:
22.14
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.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 7 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.17A 5z84C-4w8bA:
undetectable
5z84N-4w8bA:
undetectable
5z84P-4w8bA:
undetectable		 5z84C-4w8bA:
22.14
5z84N-4w8bA:
19.46
5z84P-4w8bA:
22.14
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.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.15A 5z85A-4w8bA:
undetectable
5z85C-4w8bA:
undetectable
5z85P-4w8bA:
undetectable		 5z85A-4w8bA:
19.46
5z85C-4w8bA:
22.14
5z85P-4w8bA:
22.14
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.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 7 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.16A 5z85C-4w8bA:
undetectable
5z85N-4w8bA:
undetectable
5z85P-4w8bA:
undetectable		 5z85C-4w8bA:
22.14
5z85N-4w8bA:
19.46
5z85P-4w8bA:
22.14
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.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.15A 5z86A-4w8bA:
undetectable
5z86C-4w8bA:
undetectable
5z86P-4w8bA:
undetectable		 5z86A-4w8bA:
19.46
5z86C-4w8bA:
22.14
5z86P-4w8bA:
22.14
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.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.17A 5z86C-4w8bA:
undetectable
5z86N-4w8bA:
undetectable
5z86P-4w8bA:
undetectable		 5z86C-4w8bA:
22.14
5z86N-4w8bA:
19.46
5z86P-4w8bA:
22.14
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.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.14A 5zcoA-4w8bA:
undetectable
5zcoC-4w8bA:
undetectable
5zcoP-4w8bA:
undetectable		 5zcoA-4w8bA:
19.46
5zcoC-4w8bA:
22.14
5zcoP-4w8bA:
22.14
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.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.14A 5zcoC-4w8bA:
undetectable
5zcoN-4w8bA:
undetectable
5zcoP-4w8bA:
undetectable		 5zcoC-4w8bA:
22.14
5zcoN-4w8bA:
19.46
5zcoP-4w8bA:
22.14
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.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.14A 5zcpA-4w8bA:
undetectable
5zcpC-4w8bA:
undetectable
5zcpP-4w8bA:
undetectable		 5zcpA-4w8bA:
19.46
5zcpC-4w8bA:
22.14
5zcpP-4w8bA:
22.14
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.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 LEU A 479
ASP A 475
THR A 473
HIS A 368
 XYS  A 618 ( 4.0A)
XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
 1.14A 5zcpC-4w8bA:
undetectable
5zcpN-4w8bA:
undetectable
5zcpP-4w8bA:
undetectable		 5zcpC-4w8bA:
22.14
5zcpN-4w8bA:
19.46
5zcpP-4w8bA:
22.14
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.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4w8b EXO-XYLOGLUCANASE
(uncultured
bacterium) 		4 / 8 ASP A 475
THR A 473
HIS A 368
LEU A 479
 XYS  A 606 ( 4.1A)
BGC  A 602 ( 4.3A)
None
XYS  A 618 ( 4.0A)
 1.14A 5zcqA-4w8bA:
undetectable
5zcqC-4w8bA:
undetectable
5zcqP-4w8bA:
undetectable		 5zcqA-4w8bA:
19.46
5zcqC-4w8bA:
22.14
5zcqP-4w8bA:
22.14
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		 1q33 ADP-RIBOSE
PYROPHOSPHATASE
(Homo
sapiens) 		3 / 3 ALA A 278
VAL A 269
TYR A 268
 None
BGC  A 400 (-4.5A)
None
 0.68A 5zmqH-1q33A:
undetectable		 5zmqH-1q33A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZOV_A_ASCA501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		5 / 10 TYR A 240
HIS A 238
HIS A 116
GLN A 123
ASP A 114
 BGC  A 402 ( 4.7A)
None
BGC  A 403 ( 4.2A)
BGC  A 403 (-3.4A)
None
 1.13A 5zovA-1eceA:
0.0		 5zovA-1eceA:
22.52
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.
5ZOV_B_ASCB501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		 1ece ENDOCELLULASE E1
(Acidothermus
cellulolyticus) 		5 / 12 TYR A 240
HIS A 238
HIS A 116
GLN A 123
ASP A 114
 BGC  A 402 ( 4.7A)
None
BGC  A 403 ( 4.2A)
BGC  A 403 (-3.4A)
None
 1.08A 5zovB-1eceA:
0.0		 5zovB-1eceA:
22.52
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA
(Homo
sapiens) 		4 / 8 TYR A 152
GLY A  22
ASP A 208
PRO A 206
 BGC  A 316 (-4.2A)
BGC  A 316 ( 4.7A)
None
None
 0.92A 6ag0A-3qt2A:
undetectable		 6ag0A-3qt2A:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 12 TRP A  58
TYR A  62
GLU A 240
TYR A 151
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
BGC  A 993 ( 3.3A)
BGC  A 993 (-4.2A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 1.30A 6ag0A-1oseA:
26.7		 6ag0A-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		9 / 12 TRP A  58
TYR A  62
HIS A 101
GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
AC1  A 992 ( 3.7A)
BGC  A 993 ( 3.3A)
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 1.09A 6ag0A-1oseA:
26.7		 6ag0A-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		9 / 12 TRP A  58
TYR A  62
HIS A 101
LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
AC1  A 992 ( 3.7A)
None
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 0.78A 6ag0A-1oseA:
26.7		 6ag0A-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		9 / 12 TRP A  58
TYR A  62
HIS A 102
LEU A 141
ASP A 176
LYS A 179
HIS A 180
HIS A 268
ASP A 269
 None
ACI  A 504 ( 3.7A)
ACI  A 504 (-4.0A)
G6D  A 505 ( 4.7A)
ACI  A 504 (-3.0A)
BGC  A 506 (-2.7A)
G6D  A 505 ( 3.7A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.76A 6ag0A-1ua7A:
28.6		 6ag0A-1ua7A:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE
(Streptococcus
pneumoniae) 		5 / 12 TYR A 667
HIS A 715
ASP A 778
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
BGC  A2144 (-4.2A)
BGC  A2144 (-2.8A)
None
GLC  A2150 ( 4.3A)
 0.51A 6ag0A-2ya1A:
18.2		 6ag0A-2ya1A:
6.33
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3wy2 ALPHA-GLUCOSIDASE
(Halomonas
sp.
H11) 		6 / 12 TYR A  65
HIS A 105
TYR A 235
ASP A 202
HIS A 332
ASP A 333
 BGC  A 605 (-3.7A)
BGC  A 605 (-3.9A)
None
BGC  A 605 (-2.4A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
 1.33A 6ag0A-3wy2A:
19.3		 6ag0A-3wy2A:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 5do8 LMO0184 PROTEIN
(Listeria
monocytogenes) 		5 / 12 TYR B  64
HIS B 104
ASP B 197
HIS B 327
ASP B 328
 BGC  B 601 (-3.8A)
BGC  B 601 (-4.0A)
BGC  B 601 (-3.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
 0.90A 6ag0A-5do8B:
18.5		 6ag0A-5do8B:
10.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 12 GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 BGC  A 993 ( 3.3A)
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 1.01A 6ag0C-1oseA:
26.7		 6ag0C-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 12 LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 0.53A 6ag0C-1oseA:
26.7		 6ag0C-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 12 TRP A  58
GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
 None
BGC  A 993 ( 3.3A)
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
 1.10A 6ag0C-1oseA:
26.7		 6ag0C-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		6 / 12 TRP A  58
LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
 None
None
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
 0.73A 6ag0C-1oseA:
26.7		 6ag0C-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 TRP A  58
LEU A 141
ASP A 176
LYS A 179
HIS A 180
HIS A 268
ASP A 269
 None
G6D  A 505 ( 4.7A)
ACI  A 504 (-3.0A)
BGC  A 506 (-2.7A)
G6D  A 505 ( 3.7A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.72A 6ag0C-1ua7A:
28.7		 6ag0C-1ua7A:
11.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1w9x ALPHA AMYLASE
(Bacillus
halmapalus) 		7 / 12 TRP A  15
LEU A 201
MET A 202
ASP A 236
TYR A 295
HIS A 332
ASP A 333
 None
AC1  A1492 ( 4.9A)
GLC  A1493 (-3.5A)
AC1  A1492 (-3.0A)
BGC  A1490 ( 4.5A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.75A 6ag0C-1w9xA:
64.3		 6ag0C-1w9xA:
32.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 6aphA-2wabA:
5.5		 6aphA-2wabA:
19.17
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 1cen CELLULASE CELC
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ARG A  46
GLU A 136
TYR A 200
ASN A 139
HIS A  90
 None
None
BGC  A 351 (-4.3A)
BGC  A 351 (-3.9A)
BGC  A 351 (-4.1A)
 1.41A 6b1eB-1cenA:
undetectable		 6b1eB-1cenA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 5gnx BETA-GLUCOSIDASE
(metagenome) 		5 / 12 ARG A  82
TYR A 298
VAL A 174
ASN A 170
HIS A 126
 None
BGC  A 502 (-4.4A)
None
BGC  A 502 (-3.3A)
BGC  A 502 (-4.0A)
 1.49A 6b1eB-5gnxA:
undetectable		 6b1eB-5gnxA:
20.65
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		7 / 7 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
ARG A  70
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.50A 6b8kA-1hlcA:
19.8		 6b8kA-1hlcA:
26.13
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		6 / 7 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
ARG A  88
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
BGC  A 201 ( 4.3A)
 0.57A 6b8kA-1ww6A:
15.8		 6b8kA-1ww6A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		6 / 7 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.76A 6b8kA-3ajyA:
17.7		 6b8kA-3ajyA:
29.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		6 / 7 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.67A 6b8kA-3ajzA:
19.7		 6b8kA-3ajzA:
30.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 7 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 0.37A 6b8kA-3wv6A:
23.7		 6b8kA-3wv6A:
15.41
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 7 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.30A 6b8kA-4fqzA:
22.1		 6b8kA-4fqzA:
17.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		7 / 8 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
ARG A  70
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.55A 6b94A-1hlcA:
23.4		 6b94A-1hlcA:
30.71
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 8 HIS A  62
ARG A  66
ASN A  75
TRP A  83
ARG A  88
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 4.3A)
 0.84A 6b94A-1ww6A:
14.6		 6b94A-1ww6A:
20.25
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		5 / 8 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
 0.73A 6b94A-1ww6A:
14.6		 6b94A-1ww6A:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  44
ARG A  48
ASN A  61
TRP A  68
GLU A  71
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
 0.48A 6b94A-3ajyA:
22.0		 6b94A-3ajyA:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  44
ARG A  48
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.84A 6b94A-3ajyA:
22.0		 6b94A-3ajyA:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  42
ARG A  46
ASN A  59
TRP A  66
GLU A  69
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
 0.39A 6b94A-3ajzA:
24.5		 6b94A-3ajzA:
35.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		5 / 8 HIS A  42
ARG A  46
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.75A 6b94A-3ajzA:
24.5		 6b94A-3ajzA:
35.63
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.
6B94_A_W9TA201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 8 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 0.38A 6b94A-3wv6A:
19.4		 6b94A-3wv6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_A_W9TA201_0
(GALECTIN-1)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 8 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.46A 6b94A-4fqzA:
18.2		 6b94A-4fqzA:
16.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		7 / 10 HIS A  45
ASN A  47
ARG A  49
ASN A  58
TRP A  65
GLU A  68
ARG A  70
 GAL  A 998 (-3.8A)
GAL  A 998 (-4.1A)
BGC  A 999 ( 2.7A)
GAL  A 998 (-3.6A)
GAL  A 998 (-3.7A)
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.50A 6b94A-1hlcA:
23.4
6b94B-1hlcA:
23.2		 6b94A-1hlcA:
30.71
6b94B-1hlcA:
30.71
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		6 / 10 HIS A  62
ARG A  66
ASN A  75
TRP A  83
GLU A  86
ARG A  88
 GAL  A 200 (-4.1A)
BGC  A 201 ( 3.0A)
GAL  A 200 (-3.7A)
GAL  A 200 (-3.6A)
BGC  A 201 ( 3.1A)
BGC  A 201 ( 4.3A)
 0.73A 6b94A-1ww6A:
14.6
6b94B-1ww6A:
14.2		 6b94A-1ww6A:
20.25
6b94B-1ww6A:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3ajy ANCESTRAL CONGERIN
CON-ANC
(-) 		7 / 10 HIS A  44
ARG A  48
ASP A  54
ASN A  61
TRP A  68
GLU A  71
ARG A  73
 GAL  A 136 (-3.9A)
BGC  A 135 ( 2.9A)
None
GAL  A 136 (-3.7A)
GAL  A 136 (-3.5A)
BGC  A 135 ( 2.6A)
BGC  A 135 (-4.1A)
 0.81A 6b94A-3ajyA:
22.0
6b94B-3ajyA:
21.9		 6b94A-3ajyA:
43.21
6b94B-3ajyA:
43.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)		 3ajz ANCESTRAL CONGERIN
CON-ANC
(-) 		7 / 10 HIS A  42
ARG A  46
ASP A  52
ASN A  59
TRP A  66
GLU A  69
ARG A  71
 GAL  A 133 (-4.0A)
BGC  A 134 ( 2.8A)
None
GAL  A 133 (-3.8A)
GAL  A 133 (-3.7A)
BGC  A 134 ( 2.8A)
BGC  A 134 ( 4.4A)
 0.74A 6b94A-3ajzA:
24.5
6b94B-3ajzA:
24.4		 6b94A-3ajzA:
35.63
6b94B-3ajzA:
35.63
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.
6B94_B_W9TB201_0
(GALECTIN-1)		 3wv6 GALECTIN-9
(Homo
sapiens) 		7 / 10 HIS A  61
ASN A  63
ARG A  65
ASN A  75
TRP A  82
GLU A  85
ARG A  87
 GAL  A 402 (-3.9A)
GAL  A 402 (-3.9A)
BGC  A 403 (-2.7A)
GAL  A 402 (-4.0A)
GAL  A 402 (-3.7A)
BGC  A 403 (-2.9A)
BGC  A 403 (-4.1A)
 0.46A 6b94A-3wv6A:
19.4
6b94B-3wv6A:
19.1		 6b94A-3wv6A:
12.93
6b94B-3wv6A:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_B_W9TB201_0
(GALECTIN-1)		 4fqz GALECTIN-8
(Homo
sapiens) 		6 / 10 HIS A  65
ASN A  67
ARG A  69
ASN A  79
TRP A  86
GLU A  89
 GAL  A 401 (-4.0A)
GAL  A 401 (-4.2A)
BGC  A 402 ( 2.5A)
GAL  A 401 (-3.8A)
GAL  A 401 (-3.5A)
BGC  A 402 ( 3.3A)
 0.42A 6b94A-4fqzA:
18.2
6b94B-4fqzA:
17.8		 6b94A-4fqzA:
16.25
6b94B-4fqzA:
16.25
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.
6BC9_A_ETSA302_2
(CARBONIC ANHYDRASE 2)		 4ptx GLYCOSIDE HYDROLASE
FAMILY 1
(Halothermothrix
orenii) 		4 / 5 HIS A 121
HIS A 201
LEU A 251
VAL A 254
 BGC  A 501 (-4.2A)
None
None
None
 1.04A 6bc9A-4ptxA:
undetectable		 6bc9A-4ptxA:
10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BOC_A_EU7A102_0
(MATRIX PROTEIN 2)		 3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA
(Homo
sapiens) 		4 / 6 SER A  77
ALA A  51
ALA A  76
SER A  75
 BGC  A 317 (-3.6A)
None
None
None
 1.05A 6bocA-3qt2A:
undetectable
6bocB-3qt2A:
undetectable
6bocC-3qt2A:
undetectable
6bocD-3qt2A:
undetectable		 6bocA-3qt2A:
4.93
6bocB-3qt2A:
4.93
6bocC-3qt2A:
4.93
6bocD-3qt2A:
4.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 2q2r GLUCOKINASE 1,
PUTATIVE
(Trypanosoma
cruzi) 		5 / 12 ALA A 242
ASN A 234
ASN A 237
GLY A 241
GLY A 186
 None
None
None
ADP  A2001 (-3.2A)
BGC  A1001 (-3.6A)
 1.14A 6c79A-2q2rA:
undetectable		 6c79A-2q2rA:
12.33
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		 4avo BETA-1,4-EXOCELLULAS
E
(Thermobifida
fusca) 		5 / 12 ALA A 499
ASN A 505
GLY A 498
SER A 539
GLY A 540
 None
None
None
BGC  A 601 (-3.2A)
BGC  A 601 (-3.6A)
 1.13A 6c79A-4avoA:
undetectable		 6c79A-4avoA:
9.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_I_EY4I500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4avo BETA-1,4-EXOCELLULAS
E
(Thermobifida
fusca) 		4 / 5 GLN A 216
VAL A 176
TRP A 177
THR A 191
 None
None
BGC  A 601 (-3.4A)
BGC  A 601 ( 3.8A)
 1.43A 6cduI-4avoA:
undetectable
6cduJ-4avoA:
undetectable		 6cduI-4avoA:
21.21
6cduJ-4avoA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		4 / 6 ASP A 174
GLN A  11
GLU A 176
THR A 340
 None
None
None
BGC  A 551 (-3.1A)
 1.27A 6djzA-1b1yA:
0.0		 6djzA-1b1yA:
19.14
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ASN A 214
PHE A 156
ASP A 197
ILE A  80
LEU A 165
 None
GLC  A 702 ( 4.9A)
BGC  A 701 (-3.0A)
GLC  A 702 (-4.1A)
None
 0.93A 6dwnC-5awpA:
undetectable		 6dwnC-5awpA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		 5awp ISOMALTODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ASN A 214
PHE A 156
ASP A 197
ILE A  80
LEU A 165
 None
GLC  A 702 ( 4.9A)
BGC  A 701 (-3.0A)
GLC  A 702 (-4.1A)
None
 0.92A 6dwnD-5awpA:
undetectable		 6dwnD-5awpA:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 1ose PORCINE
ALPHA-AMYLASE
(Sus
scrofa) 		4 / 5 GLU A 272
VAL A 265
LEU A 277
HIS A 331
 BGC  A 996 (-2.7A)
None
None
None
 1.48A 6dyoA-1oseA:
undetectable		 6dyoA-1oseA:
9.00
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.
6EQP_A_BUWA601_1
(CHOLINESTERASE)		 3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)
(Streptomyces
matensis) 		4 / 8 GLY A 372
GLN A 168
THR A 167
TYR A 232
 None
None
BGC  A   3 (-3.3A)
None
 1.12A 6eqpA-3gd9A:
undetectable		 6eqpA-3gd9A:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.28A 6exiA-2wabA:
5.4		 6exiA-2wabA:
14.24
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.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.36A 6exiA-2wabA:
5.4		 6exiA-2wabA:
14.24
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.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.23A 6exiD-2wabA:
2.2		 6exiD-2wabA:
14.24
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.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 6exiD-2wabA:
2.2		 6exiD-2wabA:
14.24
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.
6F3N_A_ADNA505_1
(-)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 6f3nA-2wabA:
6.7		 6f3nA-2wabA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_B_ADNB505_1
(-)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.32A 6f3nB-2wabA:
6.7		 6f3nB-2wabA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_C_ADNC505_1
(-)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 6f3nC-2wabA:
2.2		 6f3nC-2wabA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3N_D_ADND506_1
(-)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 6f3nD-2wabA:
6.6		 6f3nD-2wabA:
19.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		4 / 4 ARG A  49
GLU A  52
GLU A  68
ARG A  70
 BGC  A 999 ( 2.7A)
None
BGC  A 999 ( 2.8A)
BGC  A 999 (-4.3A)
 0.59A 6fk2A-1hlcA:
19.8		 6fk2A-1hlcA:
30.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)		 1hlc HUMAN LECTIN
(Homo
sapiens) 		4 / 4 ARG A  70
GLU A  68
GLU A  52
ARG A  49
 BGC  A 999 (-4.3A)
BGC  A 999 ( 2.8A)
None
BGC  A 999 ( 2.7A)
 1.10A 6fk2A-1hlcA:
19.8		 6fk2A-1hlcA:
30.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_A_ADNA501_1
(-)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 6gbnA-2wabA:
6.4		 6gbnA-2wabA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_B_ADNB501_1
(-)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.31A 6gbnB-2wabA:
5.6		 6gbnB-2wabA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GBN_D_ADND501_1
(-)		 2wab ENDOGLUCANASE E
(Ruminiclostridiu
m
thermocellum) 		5 / 12 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.29A 6gbnD-2wabA:
3.1		 6gbnD-2wabA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 2pok PEPTIDASE,
M20/M25/M40 FAMILY
(Streptococcus
pneumoniae) 		4 / 8 ASP A 374
SER A 373
SER A 455
VAL A 383
 BGC  A 459 (-3.6A)
BGC  A 459 (-4.9A)
BGC  A 458 (-3.7A)
None
 0.72A 6giqL-2pokA:
undetectable
6giqP-2pokA:
undetectable
6giqT-2pokA:
undetectable		 6giqL-2pokA:
24.41
6giqP-2pokA:
17.93
6giqT-2pokA:
9.56
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.
6GNG_A_QPSA601_1
(-)		 1i8a ENDO-1,4-BETA-XYLANA
SE A
(Thermotoga
maritima) 		5 / 12 GLY A  88
THR A 109
GLY A 108
ASP A 169
ASN A 173
 None
None
BGC  A 189 ( 4.3A)
None
None
 1.04A 6gngA-1i8aA:
undetectable		 6gngA-1i8aA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 3vgl GLUCOKINASE
(Streptomyces
griseus) 		5 / 12 GLY A 112
GLY A 133
ASN A 107
PRO A  79
GLU A 176
 None
BGC  A 324 ( 3.9A)
NA  A 323 (-3.2A)
BGC  A 324 (-3.9A)
BGC  A 324 (-2.8A)
 1.08A 6gngB-3vglA:
undetectable		 6gngB-3vglA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		5 / 12 THR A 187
VAL A 185
VAL A 184
ASP A 280
VAL A  74
 None
None
None
BGC  A 942 (-2.9A)
None
 1.42A 6iblA-4iigA:
undetectable		 6iblA-4iigA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 4iig BETA-GLUCOSIDASE 1
(Aspergillus
aculeatus) 		5 / 12 THR A 187
VAL A 185
VAL A 184
ASP A 280
VAL A  74
 None
None
None
BGC  A 942 (-2.9A)
None
 1.37A 6iblB-4iigA:
undetectable		 6iblB-4iigA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6J20_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 5xxo PERIPLASMIC
BETA-GLUCOSIDASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ASN A  81
ILE A  57
TYR A 115
ILE A 202
MET A 251
 BGC  A 802 ( 4.0A)
None
None
None
BGC  A 802 (-3.7A)
 1.32A 6j20A-5xxoA:
undetectable		 6j20A-5xxoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN
(Chloroflexus
aurantiacus) 		5 / 12 GLY A 296
GLN A 297
TYR A 377
LEU A 372
ILE A 307
 None
BGC  A 402 ( 4.3A)
None
None
None
 1.39A 6md4A-4rxuA:
undetectable		 6md4A-4rxuA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_F_AM2F301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1ww6 GALECTIN
(Agrocybe
cylindracea) 		4 / 7 TRP A  83
HIS A  62
ARG A  88
GLU A  69
 GAL  A 200 (-3.6A)
GAL  A 200 (-4.1A)
BGC  A 201 ( 4.3A)
None
 1.42A 6mn4F-1ww6A:
undetectable		 6mn4F-1ww6A:
19.69
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.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		 1nsv GALACTOSE MUTAROTASE
(Lactococcus
lactis) 		5 / 12 LEU A 260
ILE A 301
HIS A 170
PHE A 303
ILE A 242
 None
None
BGC  A1400 (-4.0A)
None
None
 1.27A 6qyaD-1nsvA:
0.0		 6qyaD-1nsvA:
23.85