SIMILAR PATTERNS OF AMINO ACIDS FOR 1O86_A_LPRA702

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 229
GLU A 230
HIS A 233
GLU A 267
TYR A 372
 ZN  A 500 (-3.2A)
ZN  A 500 ( 4.2A)
ZN  A 500 (-3.3A)
ZN  A 500 (-2.1A)
None
 0.90A 1o86A-1f82A:
undetectable		 1o86A-1f82A:
20.75
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 GLU A 262
HIS A 239
HIS A 208
HIS A 183
TYR A 155
 None
ZN  A 501 (-3.7A)
None
ZN  A 501 (-3.3A)
None
 1.43A 1o86A-1k1dA:
undetectable		 1o86A-1k1dA:
20.63
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.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus) 		PF02074
(Peptidase_M32) 		5 GLU A 256
HIS A 269
GLU A 270
HIS A 273
GLU A 299
 None
 1.08A 1o86A-1k9xA:
20.7		 1o86A-1k9xA:
22.29
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLU A 260
HIS A 237
HIS A 206
HIS A 181
TYR A 153
 None
ZN  A 502 (-3.7A)
None
ZN  A 502 (-3.4A)
None
 1.48A 1o86A-1nfgA:
undetectable		 1o86A-1nfgA:
19.57
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		7 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
TRP  1 702 ( 3.8A)
ASP  1 704 (-4.7A)
ASP  1 704 (-3.5A)
 0.32A 1o86A-1y791:
20.5		 1o86A-1y791:
21.58
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLU A 341
HIS A 269
GLU A 288
HIS A 265
GLU A 266
 None
ZN  A 800 (-3.2A)
ZN  A 800 (-2.8A)
ZN  A 800 (-3.3A)
ZN  A 800 (-3.4A)
 1.49A 1o86A-1z1wA:
7.2		 1o86A-1z1wA:
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 GLU A 278
HIS A 255
HIS A 224
HIS A 199
TYR A 172
 None
ZN  A 602 ( 3.5A)
None
ZN  A 602 (-3.4A)
None
 1.46A 1o86A-2fvmA:
undetectable		 1o86A-2fvmA:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 GLN A 477
GLU A 357
HIS A 360
GLU A 384
TYR A 486
 None
ZN  A 601 ( 4.9A)
ZN  A 601 (-3.3A)
ZN  A 601 (-2.2A)
None
 1.48A 1o86A-2h1nA:
27.2		 1o86A-2h1nA:
23.29
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 GLN A 477
GLU A 357
HIS A 360
GLU A 384
TYR A 490
 None
ZN  A 601 ( 4.9A)
ZN  A 601 (-3.3A)
ZN  A 601 (-2.2A)
UNL  A 605 ( 4.5A)
 1.32A 1o86A-2h1nA:
27.2		 1o86A-2h1nA:
23.29
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		8 HIS A 356
GLU A 357
HIS A 360
GLU A 384
PHE A 420
HIS A 479
TYR A 487
TYR A 490
 ZN  A 601 (-3.3A)
ZN  A 601 ( 4.9A)
ZN  A 601 (-3.3A)
ZN  A 601 (-2.2A)
UNL  A 605 ( 4.4A)
None
None
UNL  A 605 ( 4.5A)
 0.45A 1o86A-2h1nA:
27.2		 1o86A-2h1nA:
23.29
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 GLU A 502
HIS A 473
GLU A 474
PHE A 428
TYR A 422
 ZN  A 690 (-2.3A)
ZN  A 690 (-3.4A)
ZN  A 690 ( 4.1A)
None
None
 1.31A 1o86A-2o36A:
18.5		 1o86A-2o36A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		5 HIS A 474
GLU A 475
HIS A 478
GLU A 503
TYR A 613
 ZN  A 679 (-3.4A)
ZN  A 679 ( 4.5A)
ZN  A 679 (-3.3A)
ZN  A 679 (-2.1A)
None
 1.15A 1o86A-2o3eA:
19.0		 1o86A-2o3eA:
21.82
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.
2ogg TREHALOSE OPERON
TRANSCRIPTIONAL
REPRESSOR

(Bacillus
subtilis) 		PF07702
(UTRA) 		5 GLU A 183
GLN A 114
GLU A 188
GLU A 125
TYR A 143
 None
None
None
GOL  A 304 (-4.4A)
None
 1.37A 1o86A-2oggA:
undetectable		 1o86A-2oggA:
12.13
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.
2qn0 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 229
GLU A 230
HIS A 233
GLU A 269
TYR A 375
 ZN  A 431 (-3.3A)
ZN  A 431 ( 4.0A)
ZN  A 431 (-3.3A)
ZN  A 431 (-2.1A)
None
 0.97A 1o86A-2qn0A:
2.4		 1o86A-2qn0A:
21.61
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.
2r8b UNCHARACTERIZED
PROTEIN ATU2452

(Agrobacterium
fabrum) 		PF01738
(DLH) 		5 GLN A  75
HIS A 171
HIS A 224
GLU A 234
PHE A  76
 None
 1.44A 1o86A-2r8bA:
undetectable		 1o86A-2r8bA:
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		5 HIS A 172
GLU A 126
HIS A 109
GLU A 130
PHE A 201
 MN  A1540 (-3.4A)
MN  A1540 ( 4.4A)
MN  A1540 (-3.3A)
MN  A1540 (-2.6A)
None
 1.37A 1o86A-2v8jA:
3.1		 1o86A-2v8jA:
21.81
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLU A 271
HIS A 248
PHE A  74
HIS A 192
TYR A 164
 None
ZN  A1495 (-3.4A)
None
ZN  A1495 (-3.7A)
None
 1.42A 1o86A-2vr2A:
undetectable		 1o86A-2vr2A:
22.33
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 GLU A 597
HIS A 340
GLU A 341
GLU A 363
TYR A 429
 None
ZN  A1673 (-3.3A)
None
ZN  A1673 (-2.2A)
None
 1.20A 1o86A-2xpzA:
5.2		 1o86A-2xpzA:
22.55
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 HIS A 340
GLU A 341
HIS A 344
GLU A 363
TYR A 429
 ZN  A1673 (-3.3A)
None
ZN  A1673 (-3.5A)
ZN  A1673 (-2.2A)
None
 0.92A 1o86A-2xpzA:
5.2		 1o86A-2xpzA:
22.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		12 GLU A 162
GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 457
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 None
3ES  A1635 (-3.3A)
3ES  A1635 (-3.8A)
ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.1A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.37A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 GLU A 162
HIS A 353
PHE A 460
HIS A 513
TYR A 520
 None
3ES  A1635 (-3.8A)
None
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
 1.39A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 HIS A 383
GLU A 384
HIS A 387
GLU A 411
PHE A 527
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-4.6A)
 1.05A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		11 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 435
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.1A)
3ES  A1611 (-3.8A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 4.2A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.26A 1o86A-2xydA:
54.3		 1o86A-2xydA:
53.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 HIS A 361
GLU A 362
HIS A 365
GLU A 389
PHE A 505
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-4.7A)
 1.00A 1o86A-2xydA:
54.3		 1o86A-2xydA:
53.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 HIS A 491
GLU A 389
HIS A 361
GLU A 362
HIS A 331
 3ES  A1611 (-3.9A)
ZN  A1620 ( 2.4A)
3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
3ES  A1611 (-3.8A)
 1.31A 1o86A-2xydA:
54.3		 1o86A-2xydA:
53.76
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 353
GLU A 354
HIS A 357
GLU A 376
TYR A 438
 ZN  A1946 ( 3.3A)
BES  A1950 (-3.3A)
BES  A1950 ( 3.3A)
ZN  A1946 ( 2.1A)
BES  A1950 (-4.3A)
 0.75A 1o86A-2yd0A:
6.7		 1o86A-2yd0A:
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 GLN A 477
GLU A 357
HIS A 360
GLU A 384
TYR A 486
 ACT  A 567 (-3.5A)
ZN  A 565 ( 4.6A)
ZN  A 565 (-3.3A)
ZN  A 565 (-2.1A)
None
 1.47A 1o86A-3ahmA:
26.6		 1o86A-3ahmA:
22.83
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 6 GLN A 477
HIS A 356
GLU A 357
HIS A 360
GLU A 384
TYR A 490
 ACT  A 567 (-3.5A)
ZN  A 565 (-3.4A)
ZN  A 565 ( 4.6A)
ZN  A 565 (-3.3A)
ZN  A 565 (-2.1A)
ACT  A 567 (-3.6A)
 1.28A 1o86A-3ahmA:
26.6		 1o86A-3ahmA:
22.83
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 8 HIS A 356
GLU A 357
HIS A 360
GLU A 384
PHE A 420
HIS A 479
TYR A 487
TYR A 490
 ZN  A 565 (-3.4A)
ZN  A 565 ( 4.6A)
ZN  A 565 (-3.3A)
ZN  A 565 (-2.1A)
ACT  A 567 ( 4.6A)
ACT  A 567 (-4.6A)
ACT  A 567 (-4.5A)
ACT  A 567 (-3.6A)
 0.44A 1o86A-3ahmA:
26.6		 1o86A-3ahmA:
22.83
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 GLU A 554
HIS A 324
HIS A 328
GLU A 347
TYR A 410
 None
ZN  A 701 (-4.1A)
ZN  A 701 (-3.8A)
ZN  A 701 (-3.4A)
None
 1.37A 1o86A-3ciaA:
5.7		 1o86A-3ciaA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 HIS A 324
GLU A 325
HIS A 328
GLU A 347
TYR A 410
 ZN  A 701 (-4.1A)
ZN  A 701 ( 4.6A)
ZN  A 701 (-3.8A)
ZN  A 701 (-3.4A)
None
 0.86A 1o86A-3ciaA:
5.7		 1o86A-3ciaA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 GLU A 259
HIS A 236
HIS A 205
HIS A 180
TYR A 152
 None
ZN  A 501 (-3.4A)
None
ZN  A 501 (-3.1A)
None
 1.44A 1o86A-3dc8A:
undetectable		 1o86A-3dc8A:
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 GLU A 259
HIS A 236
PHE A  63
HIS A 180
TYR A 152
 None
ZN  A 501 (-3.4A)
None
ZN  A 501 (-3.1A)
None
 1.32A 1o86A-3dc8A:
undetectable		 1o86A-3dc8A:
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 HIS A 265
GLU A 266
HIS A 269
GLU A 296
TYR A 356
 CO  A 999 (-3.3A)
CO  A 999 ( 4.6A)
CO  A 999 (-3.5A)
CO  A 999 (-2.6A)
None
 1.23A 1o86A-3dwcA:
21.4		 1o86A-3dwcA:
22.33
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.
3fii BOTULINUM NEUROTOXIN
TYPE F

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 GLU A 200
GLU A 228
HIS A 231
GLU A 266
TYR A 368
 None
00C  B  58 (-3.0A)
ZN  A 822 (-3.4A)
ZN  A 822 ( 2.0A)
00C  B  58 (-4.8A)
 1.18A 1o86A-3fiiA:
2.5		 1o86A-3fiiA:
20.86
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.
3fii BOTULINUM NEUROTOXIN
TYPE F

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 227
GLU A 228
HIS A 231
GLU A 266
TYR A 368
 ZN  A 822 ( 3.5A)
00C  B  58 (-3.0A)
ZN  A 822 (-3.4A)
ZN  A 822 ( 2.0A)
00C  B  58 (-4.8A)
 0.91A 1o86A-3fiiA:
2.5		 1o86A-3fiiA:
20.86
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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		5 HIS A 276
GLU A 277
HIS A 280
GLU A 306
TYR A 430
 None
 0.88A 1o86A-3hoaA:
22.1		 1o86A-3hoaA:
24.03
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		7 HIS A 234
HIS A 265
GLU A 266
HIS A 269
GLU A 295
HIS A 408
TYR A 420
 None
ZN  A 502 ( 3.4A)
PO4  A 503 (-3.0A)
ZN  A 502 ( 3.3A)
ZN  A 502 ( 2.2A)
None
PO4  A 503 (-4.2A)
 0.58A 1o86A-3hq2A:
23.7		 1o86A-3hq2A:
23.70
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 HIS A 129
GLU A 160
HIS A 270
GLU A 274
PHE A 111
 ZN  A 295 (-3.3A)
ZN  A 295 (-2.9A)
ZN  A 295 (-3.3A)
ZN  A 295 (-2.5A)
None
 1.46A 1o86A-3hwpA:
undetectable		 1o86A-3hwpA:
19.93
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		5 HIS A 385
GLU A 386
HIS A 391
GLU A 420
TYR A 514
 MG  A 560 ( 4.9A)
MG  A 560 (-2.6A)
MG  A 560 (-3.5A)
MG  A 560 ( 3.9A)
None
 0.92A 1o86A-3iukA:
6.4		 1o86A-3iukA:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 HIS A 374
GLU A 375
HIS A 378
GLU A 402
PHE A 274
 None
 0.74A 1o86A-3kbhA:
45.0		 1o86A-3kbhA:
42.81
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.
3o0y LIPOPROTEIN

(Colwellia
psychrerythraea) 		PF05960
(DUF885) 		5 HIS A 438
GLU A 439
HIS A 444
GLU A 471
TYR A 556
 None
SO4  A 610 ( 4.7A)
None
SO4  A 610 ( 4.2A)
SO4  A 610 (-4.2A)
 0.78A 1o86A-3o0yA:
3.8		 1o86A-3o0yA:
23.05
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.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 HIS A 311
GLU A 312
HIS A 315
TYR A 326
TYR A 324
 ZN  A 426 ( 3.3A)
PO4  A 433 (-2.8A)
ZN  A 426 ( 3.3A)
None
PO4  A 433 (-4.5A)
 0.46A 1o86A-3p1vA:
undetectable		 1o86A-3p1vA:
19.97
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 HIS A 133
GLU A 132
HIS A 129
GLU A 243
TYR A1049
 ZN  A1194 (-4.0A)
ZN  A1194 ( 4.4A)
ZN  A1194 (-4.1A)
ZN  A1194 (-2.0A)
None
 0.85A 1o86A-3s5kA:
undetectable		 1o86A-3s5kA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 GLU A 262
HIS A 239
HIS A 208
HIS A 183
TYR A 155
 None
ZN  A 501 (-3.4A)
None
ZN  A 501 (-3.3A)
None
 1.41A 1o86A-3sfwA:
undetectable		 1o86A-3sfwA:
21.62
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 GLU A 262
HIS A 239
PHE A  65
HIS A 183
TYR A 155
 None
ZN  A 501 (-3.4A)
None
ZN  A 501 (-3.3A)
None
 1.36A 1o86A-3sfwA:
undetectable		 1o86A-3sfwA:
21.62
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 6 HIS A 356
GLU A 357
HIS A 360
GLU A 384
PHE A 420
TYR A 490
 ZN  A 568 ( 3.3A)
PO4  A 566 (-3.2A)
ZN  A 568 ( 3.3A)
ZN  A 568 ( 2.0A)
None
PO4  A 566 (-4.5A)
 0.49A 1o86A-3sksA:
6.9		 1o86A-3sksA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 HIS A 427
GLU A 428
HIS A 433
GLU A 458
TYR A 543
 ZN  A 595 (-3.1A)
ZN  A 595 ( 4.4A)
ZN  A 595 (-3.3A)
ZN  A 595 (-2.0A)
None
 0.80A 1o86A-3u24A:
10.2		 1o86A-3u24A:
22.46
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 HIS A 427
HIS A 433
GLU A 458
LYS A 529
TYR A 543
 ZN  A 595 (-3.1A)
ZN  A 595 (-3.3A)
ZN  A 595 (-2.0A)
None
None
 0.97A 1o86A-3u24A:
10.2		 1o86A-3u24A:
22.46
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 HIS A1295
GLU A1296
HIS A1299
GLU A1318
TYR A1383
 ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.6A)
 0.64A 1o86A-3u9wA:
4.7		 1o86A-3u9wA:
24.45
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 HIS A  78
HIS A 231
GLU A 260
HIS A 222
HIS A 119
 MN  A1002 (-3.6A)
MN  A1001 (-3.6A)
MN  A1002 ( 4.9A)
MN  A1001 ( 4.9A)
MN  A1002 (-3.4A)
 1.06A 1o86A-3wqoA:
undetectable		 1o86A-3wqoA:
18.98
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 HIS A 223
GLU A 224
HIS A 227
GLU A 262
TYR A 366
 ZN  A1916 (-3.3A)
ZN  A1916 ( 4.3A)
ZN  A1916 (-3.3A)
ZN  A1916 (-2.0A)
None
 0.91A 1o86A-3zusA:
3.3		 1o86A-3zusA:
20.28
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.
4ar9 COLLAGENASE COLT

(Clostridium
tetani) 		PF01752
(Peptidase_M9) 		5 HIS A 465
GLU A 466
HIS A 469
GLU A 499
TYR A 548
 ZN  A1731 (-3.3A)
ZN  A1731 (-3.9A)
ZN  A1731 (-3.2A)
ZN  A1731 (-2.6A)
None
 0.65A 1o86A-4ar9A:
undetectable		 1o86A-4ar9A:
20.86
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		5 HIS A 273
GLU A 274
HIS A 277
GLU A 307
TYR A 377
 ZN  A 602 ( 3.4A)
MAE  A 601 ( 3.5A)
ZN  A 602 ( 3.2A)
ZN  A 602 ( 2.3A)
MAE  A 601 (-4.7A)
 0.65A 1o86A-4fgmA:
2.1		 1o86A-4fgmA:
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 388
GLU A 389
HIS A 392
GLU A 411
TYR A 477
 None
 0.79A 1o86A-4fysA:
4.0		 1o86A-4fysA:
20.86
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.
4fzv MTERF
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF02536
(mTERF) 		5 GLU B 323
HIS B 265
GLU B 269
TYR B 232
TYR B 236
 None
 1.43A 1o86A-4fzvB:
undetectable		 1o86A-4fzvB:
15.62
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 HIS A 292
GLU A 293
HIS A 296
GLU A 315
TYR A 380
 ZN  A 701 ( 3.2A)
BES  A 702 (-2.6A)
ZN  A 701 ( 3.4A)
ZN  A 701 ( 1.7A)
BES  A 702 (-4.3A)
 0.67A 1o86A-4gaaA:
3.3		 1o86A-4gaaA:
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.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		5 HIS A 233
GLU A 234
HIS A 237
GLU A 271
TYR A 375
 ZN  A 501 (-3.5A)
ZN  A 501 ( 4.1A)
ZN  A 501 (-3.3A)
ZN  A 501 (-1.9A)
None
 0.74A 1o86A-4j1lA:
2.5		 1o86A-4j1lA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.67A 1o86A-4j3bA:
7.8		 1o86A-4j3bA:
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		6 GLN A 653
HIS A 571
GLU A 572
HIS A 575
HIS A 703
TYR A 713
 None
ZN  A 801 (-3.3A)
ZN  A 801 ( 4.6A)
ZN  A 801 (-3.3A)
None
None
 1.13A 1o86A-4ka8A:
21.5		 1o86A-4ka8A:
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		7 HIS A 571
GLU A 572
HIS A 575
GLU A 601
HIS A 703
TYR A 713
TYR A 716
 ZN  A 801 (-3.3A)
ZN  A 801 ( 4.6A)
ZN  A 801 (-3.3A)
ZN  A 801 (-2.1A)
None
None
None
 0.36A 1o86A-4ka8A:
21.5		 1o86A-4ka8A:
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 GLU A 262
HIS A 239
HIS A 208
HIS A 183
TYR A 155
 GLU  A 262 ( 0.6A)
HIS  A 239 (-1.0A)
HIS  A 208 ( 1.0A)
HIS  A 183 (-1.0A)
TYR  A 155 ( 1.3A)
 1.46A 1o86A-4kqnA:
undetectable		 1o86A-4kqnA:
22.10
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 GLU A 262
HIS A 239
PHE A  65
HIS A 183
TYR A 155
 GLU  A 262 ( 0.6A)
HIS  A 239 (-1.0A)
PHE  A  65 ( 1.3A)
HIS  A 183 (-1.0A)
TYR  A 155 ( 1.3A)
 1.42A 1o86A-4kqnA:
undetectable		 1o86A-4kqnA:
22.10
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 393
GLU A 394
HIS A 397
GLU A 416
TYR A 479
 ZN  A1001 ( 3.3A)
BES  A1017 (-3.1A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 2.4A)
BES  A1017 (-4.2A)
 0.78A 1o86A-4kxbA:
4.0		 1o86A-4kxbA:
20.46
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.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 464
GLU A 465
HIS A 468
GLU A 487
PHE A 550
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 1.31A 1o86A-4pj6A:
5.5		 1o86A-4pj6A:
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.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 464
GLU A 465
HIS A 468
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
ZN  A1101 ( 1.9A)
None
 0.89A 1o86A-4pj6A:
5.5		 1o86A-4pj6A:
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.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 HIS A 686
GLU A 687
HIS A 690
GLU A 735
TYR A 728
 ZN  A 802 ( 3.6A)
30R  A 801 (-2.8A)
ZN  A 802 ( 3.4A)
ZN  A 802 ( 2.5A)
30R  A 801 (-3.4A)
 0.64A 1o86A-4pkvA:
5.0		 1o86A-4pkvA:
21.90
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 293
GLU A 294
HIS A 297
GLU A 316
TYR A 377
 37B  A 901 ( 3.2A)
37B  A 901 (-2.6A)
ZN  A 908 ( 3.2A)
ZN  A 908 ( 2.0A)
GOL  A 910 ( 2.6A)
 0.66A 1o86A-4qmeA:
7.5		 1o86A-4qmeA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 GLU A 263
HIS A 240
HIS A 209
HIS A 184
TYR A 156
 None
ZN  A 502 (-3.5A)
None
ZN  A 502 (-3.3A)
None
 1.41A 1o86A-4tqtA:
undetectable		 1o86A-4tqtA:
22.78
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 GLN A 471
HIS A 303
HIS A 194
GLU A 540
TYR A 579
 None
ZN  A 801 ( 3.2A)
ZN  A 801 ( 3.3A)
ZN  A 801 ( 2.0A)
ZN  A 801 ( 4.3A)
 1.14A 1o86A-4wgkA:
undetectable		 1o86A-4wgkA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 366
GLU A 367
HIS A 370
GLU A 389
TYR A 452
 ZN  A1001 (-3.3A)
ZN  A1001 ( 4.3A)
ZN  A1001 (-3.2A)
ZN  A1001 (-2.4A)
None
 0.74A 1o86A-4wz9A:
5.3		 1o86A-4wz9A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.69A 1o86A-4xmvA:
7.7		 1o86A-4xmvA:
21.89
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.
4zk6 QUINOLINATE SYNTHASE
A

(Pyrococcus
horikoshii) 		PF02445
(NadA) 		5 HIS A 173
GLU A 198
HIS A 196
HIS A  21
TYR A  23
 NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
NTM  A 402 ( 3.7A)
NTM  A 402 ( 3.9A)
SF4  A 401 (-4.8A)
 1.39A 1o86A-4zk6A:
undetectable		 1o86A-4zk6A:
19.97
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.02A 1o86A-4zktA:
2.4		 1o86A-4zktA:
18.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		11 GLN A 265
HIS A 337
HIS A 367
GLU A 368
HIS A 371
GLU A 395
PHE A 441
LYS A 495
HIS A 497
TYR A 504
TYR A 507
 MLT  A1615 (-3.2A)
MLT  A1615 (-3.8A)
ZN  A1616 (-3.2A)
MLT  A1615 (-4.3A)
ZN  A1616 (-3.3A)
ZN  A1616 (-2.4A)
MLT  A1615 ( 4.8A)
MLT  A1615 (-2.7A)
MLT  A1615 (-4.0A)
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 0.25A 1o86A-5a2rA:
52.5		 1o86A-5a2rA:
44.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		9 GLU A 150
GLN A 265
HIS A 367
GLU A 395
PHE A 441
LYS A 495
HIS A 497
TYR A 504
TYR A 507
 None
MLT  A1615 (-3.2A)
ZN  A1616 (-3.2A)
ZN  A1616 (-2.4A)
MLT  A1615 ( 4.8A)
MLT  A1615 (-2.7A)
MLT  A1615 (-4.0A)
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 0.83A 1o86A-5a2rA:
52.5		 1o86A-5a2rA:
44.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		6 HIS A 337
HIS A 367
GLU A 368
HIS A 371
PHE A 511
TYR A 507
 MLT  A1615 (-3.8A)
ZN  A1616 (-3.2A)
MLT  A1615 (-4.3A)
ZN  A1616 (-3.3A)
None
MLT  A1615 (-4.0A)
 1.30A 1o86A-5a2rA:
52.5		 1o86A-5a2rA:
44.76
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.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 HIS A 306
GLU A 307
HIS A 310
GLU A 329
TYR A 390
 ZN  A 901 (-3.3A)
ZN  A 901 ( 4.2A)
ZN  A 901 (-3.3A)
ZN  A 901 (-1.6A)
None
 0.85A 1o86A-5dllA:
5.4		 1o86A-5dllA:
21.20
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.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		5 HIS A 253
GLU A 254
HIS A 257
GLU A 283
TYR A 407
 CO  A 501 (-3.3A)
CO  A 501 ( 4.8A)
CO  A 501 (-3.3A)
CO  A 501 (-2.7A)
None
 0.95A 1o86A-5e3xA:
23.8		 1o86A-5e3xA:
24.48
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 370
GLU A 371
HIS A 374
GLU A 393
TYR A 455
 ZN  A1001 ( 3.2A)
6GA  A1015 (-3.0A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 1.7A)
6GA  A1015 (-4.0A)
 0.74A 1o86A-5j6sA:
7.4		 1o86A-5j6sA:
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 HIS A 696
GLU A 697
HIS A 700
GLU A 716
TYR A 776
 ZN  A1005 ( 3.3A)
ZN  A1005 (-4.1A)
ZN  A1005 (-3.4A)
ZN  A1005 (-2.1A)
TNR  A1002 (-4.6A)
 0.50A 1o86A-5kdxA:
undetectable		 1o86A-5kdxA:
21.58
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		7 HIS A 463
GLU A 464
HIS A 467
GLU A 492
HIS A 593
TYR A 603
TYR A 606
 ZN  A1001 ( 3.3A)
K26  A1005 (-2.7A)
ZN  A1001 ( 3.4A)
ZN  A1001 ( 2.2A)
K26  A1005 ( 3.3A)
SO4  A1004 (-4.8A)
SO4  A1004 ( 3.7A)
 0.44A 1o86A-5l44A:
6.0		 1o86A-5l44A:
23.37
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.
5o7e COLH PROTEIN

(Hathewaya
histolytica) 		no annotation 5 HIS A 455
GLU A 456
HIS A 459
GLU A 487
TYR A 538
 ZN  A 801 ( 3.3A)
9NB  A 803 (-3.5A)
9NB  A 803 ( 3.2A)
ZN  A 801 ( 2.3A)
None
 0.58A 1o86A-5o7eA:
4.9		 1o86A-5o7eA:
8.94
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.
5xey PHLORETIN HYDROLASE

(Mycobacteroides
abscessus) 		no annotation 5 HIS A 133
GLU A 164
HIS A 269
GLU A 273
HIS A 217
 None
 1.47A 1o86A-5xeyA:
undetectable		 1o86A-5xeyA:
9.71
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.
5xey PHLORETIN HYDROLASE

(Mycobacteroides
abscessus) 		no annotation 5 HIS A 217
HIS A 269
GLU A 273
HIS A 133
GLU A 164
 None
 1.14A 1o86A-5xeyA:
undetectable		 1o86A-5xeyA:
9.71
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLU A 262
HIS A 239
PHE A  66
HIS A 183
TYR A 155
 None
ZN  A 501 (-3.4A)
None
ZN  A 501 (-3.3A)
None
 1.29A 1o86A-5ykdA:
undetectable		 1o86A-5ykdA:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yvf -

(-) 		no annotation 5 GLU A 393
GLN A 300
HIS A 220
PHE A 328
TYR A 332
 None
 1.36A 1o86A-5yvfA:
undetectable		 1o86A-5yvfA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.76A 1o86A-6bv2A:
6.7		 1o86A-6bv2A:
10.58
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 HIS A 226
GLU A 227
HIS A 230
GLU A 264
TYR A 366
 ZN  A 503 ( 3.3A)
ACT  A 502 (-2.6A)
ZN  A 503 (-3.3A)
ZN  A 503 ( 2.6A)
None
 0.87A 1o86A-6bvdA:
2.2		 1o86A-6bvdA:
9.25
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.
6f4e CATALYTIC DOMAIN OF
BOTULINUM NEUROTOXIN
X

(Clostridium
botulinum) 		no annotation 5 HIS A 227
GLU A 228
HIS A 231
GLU A 266
TYR A 363
 None
 0.91A 1o86A-6f4eA:
2.6		 1o86A-6f4eA:
7.41
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.
6fpc PRO-PRO
ENDOPEPTIDASE

(Paenibacillus
alvei) 		no annotation 5 HIS A 137
GLU A 138
HIS A 141
GLU A 181
TYR A 174
 ZN  A 301 ( 3.4A)
ZN  A 301 ( 4.3A)
ZN  A 301 ( 3.4A)
ZN  A 301 ( 2.1A)
ZN  A 301 ( 4.8A)
 0.74A 1o86A-6fpcA:
3.2		 1o86A-6fpcA:
8.93
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.
1b9r PROTEIN
(TERPREDOXIN)

(Pseudomonas sp.) 		PF00111
(Fer2) 		4 SER A  22
VAL A  60
PHE A   5
VAL A  15
 None
 1.10A 1o86A-1b9rA:
undetectable		 1o86A-1b9rA:
9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		4 SER A 158
VAL A  92
PHE A 128
VAL A 132
 None
 1.49A 1o86A-1dj2A:
0.0		 1o86A-1dj2A:
22.26
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.
1dkd GROEL

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		4 SER A 217
VAL A 323
PHE A 219
VAL A 240
 None
 1.43A 1o86A-1dkdA:
undetectable		 1o86A-1dkdA:
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.
1fi4 MEVALONATE
5-DIPHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N) 		4 SER A 146
VAL A 129
PHE A 161
VAL A 165
 None
 1.39A 1o86A-1fi4A:
0.3		 1o86A-1fi4A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmc PROTEIN (REPLICATION
PROTEIN A (RPA))

(Homo sapiens) 		PF01336
(tRNA_anti-codon)
PF16900
(REPA_OB_2) 		4 SER A 207
VAL A 203
PHE A 246
VAL A 242
 None
 1.49A 1o86A-1jmcA:
undetectable		 1o86A-1jmcA:
17.02
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		4 SER A 422
VAL A 431
PHE A 418
VAL A 460
 None
 1.34A 1o86A-1jmyA:
0.0		 1o86A-1jmyA:
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.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus) 		PF02074
(Peptidase_M32) 		4 SER A 140
VAL A 374
PHE A 104
VAL A 108
 None
 1.49A 1o86A-1k9xA:
20.7		 1o86A-1k9xA:
22.29
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.
1pdz ENOLASE

(Homarus
gammarus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 SER A 114
VAL A  21
PHE A 381
VAL A 345
 None
 1.37A 1o86A-1pdzA:
0.0		 1o86A-1pdzA:
20.03
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.
1suw PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Archaeoglobus
fulgidus) 		PF01513
(NAD_kinase) 		4 SER A 106
VAL A 111
PHE A 216
VAL A 199
 None
 1.48A 1o86A-1suwA:
0.8		 1o86A-1suwA:
17.58
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.
1usc PUTATIVE STYRENE
MONOOXYGENASE SMALL
COMPONENT

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		4 SER A  71
VAL A  52
PHE A  34
VAL A  32
 None
 1.35A 1o86A-1uscA:
undetectable		 1o86A-1uscA:
13.87
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		4 SER A 162
VAL A 173
PHE A 285
VAL A 318
 None
 1.48A 1o86A-1vi1A:
undetectable		 1o86A-1vi1A:
19.20
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 SER A 132
VAL A 228
PHE A 122
VAL A  67
 None
 1.50A 1o86A-1we5A:
undetectable		 1o86A-1we5A:
21.74
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.
1wek HYPOTHETICAL PROTEIN
TT1465

(Thermus
thermophilus) 		PF03641
(Lysine_decarbox) 		4 SER A  41
VAL A  84
PHE A 137
VAL A 165
 None
 1.14A 1o86A-1wekA:
undetectable		 1o86A-1wekA:
16.44
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.
1y63 LMAJ004144AAA
PROTEIN

(Leishmania
major) 		PF13238
(AAA_18) 		4 SER A  92
VAL A 106
PHE A  96
VAL A  42
 None
 1.36A 1o86A-1y63A:
undetectable		 1o86A-1y63A:
13.26
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 SER A 114
VAL A  21
PHE A 379
VAL A 343
 None
 1.41A 1o86A-2akzA:
undetectable		 1o86A-2akzA:
22.46
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.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		4 SER A 226
VAL A 260
PHE A 211
VAL A 222
 None
 0.98A 1o86A-2bs9A:
undetectable		 1o86A-2bs9A:
21.38
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.
2bzl TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 14

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 SER A1134
VAL A1149
PHE A1172
VAL A1086
 None
 1.44A 1o86A-2bzlA:
undetectable		 1o86A-2bzlA:
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.
2gtt NUCLEOPROTEIN

(Rabies
lyssavirus) 		PF00945
(Rhabdo_ncap) 		4 SER A 146
VAL A 230
PHE A 203
VAL A  70
 None
A  W  48 ( 4.3A)
None
None
 1.10A 1o86A-2gttA:
undetectable		 1o86A-2gttA:
21.11
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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 419
VAL A 344
PHE A 464
VAL A 412
 None
 1.44A 1o86A-2ongA:
undetectable		 1o86A-2ongA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9t DING

(Pseudomonas
fluorescens) 		PF12849
(PBP_like_2) 		4 SER A  89
VAL A 344
PHE A 313
VAL A  19
 None
 1.39A 1o86A-2q9tA:
undetectable		 1o86A-2q9tA:
20.74
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.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 478
VAL A 527
PHE A 431
VAL A 445
 None
 1.32A 1o86A-2qquA:
undetectable		 1o86A-2qquA:
21.28
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		4 SER A 160
VAL A 149
PHE A  39
VAL A  43
 None
 1.40A 1o86A-2varA:
1.7		 1o86A-2varA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2weu TRYPTOPHAN
5-HALOGENASE

(Streptomyces
rugosporus) 		PF04820
(Trp_halogenase) 		4 SER A 355
VAL A  52
PHE A 451
VAL A 396
 TRP  A1512 ( 4.8A)
None
TRP  A1512 ( 4.7A)
None
 1.37A 1o86A-2weuA:
undetectable		 1o86A-2weuA:
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		4 SER A 109
VAL A 104
PHE A 411
VAL A 273
 None
 1.45A 1o86A-2wsxA:
2.6		 1o86A-2wsxA:
21.10
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.
2xsx BETA-ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 SER A 115
VAL A  22
PHE A 380
VAL A 344
 None
 1.34A 1o86A-2xsxA:
undetectable		 1o86A-2xsxA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 SER A 355
VAL A 380
PHE A 512
VAL A 518
 3ES  A1636 (-4.3A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.8A)
3ES  A1636 (-4.1A)
 0.15A 1o86A-2xy9A:
62.6		 1o86A-2xy9A:
99.83
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 SER A 594
VAL A 512
PHE A 523
VAL A 545
 None
 1.33A 1o86A-2zwsA:
undetectable		 1o86A-2zwsA:
22.42
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.
3b97 ALPHA-ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 SER A 114
VAL A  21
PHE A 379
VAL A 343
 None
 1.41A 1o86A-3b97A:
undetectable		 1o86A-3b97A:
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.
3ehk PRUNIN

(Prunus dulcis) 		PF00190
(Cupin_1) 		4 SER A 417
VAL A  48
PHE A 449
VAL A 430
 None
 0.86A 1o86A-3ehkA:
undetectable		 1o86A-3ehkA:
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.
3gwe 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE III

(Burkholderia
pseudomallei) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 SER A 122
VAL A 303
PHE A 242
VAL A 247
 None
 1.22A 1o86A-3gweA:
undetectable		 1o86A-3gweA:
20.03
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.
3hja GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 SER A 261
VAL A 297
PHE A 169
VAL A 254
 None
 1.24A 1o86A-3hjaA:
undetectable		 1o86A-3hjaA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A 157
VAL A 152
PHE A 175
VAL A  99
 None
 1.28A 1o86A-3hn7A:
undetectable		 1o86A-3hn7A:
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.
3hsk ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Candida
albicans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 SER A 106
VAL A 120
PHE A  19
VAL A  15
 None
 1.42A 1o86A-3hskA:
undetectable		 1o86A-3hskA:
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.
3kny HYPOTHETICAL PROTEIN
BT_3535

(Bacteroides
thetaiotaomicron) 		no annotation 4 SER A 210
VAL A  26
PHE A 190
VAL A 177
 None
 1.34A 1o86A-3knyA:
undetectable		 1o86A-3knyA:
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.
3kv4 PHD FINGER PROTEIN 8

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		4 SER A 192
VAL A 231
PHE A 359
VAL A  16
 None
 1.18A 1o86A-3kv4A:
4.1		 1o86A-3kv4A:
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.
3my7 ALCOHOL
DEHYDROGENASE/ACETAL
DEHYDE DEHYDROGENASE

(Vibrio
parahaemolyticus) 		PF00171
(Aldedh) 		4 SER A 127
VAL A 104
PHE A  23
VAL A  31
 None
 1.42A 1o86A-3my7A:
2.0		 1o86A-3my7A:
20.98
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.
3otr ENOLASE

(Toxoplasma
gondii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 SER A 120
VAL A  23
PHE A 392
VAL A 356
 None
 1.26A 1o86A-3otrA:
undetectable		 1o86A-3otrA:
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.
3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Clostridium
aminobutyricum) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 SER A 124
VAL A 121
PHE A 167
VAL A 162
 None
 1.34A 1o86A-3qdqA:
undetectable		 1o86A-3qdqA:
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 SER A 113
VAL A  22
PHE A 384
VAL A 348
 None
 1.43A 1o86A-3qtpA:
undetectable		 1o86A-3qtpA:
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.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 SER A 375
VAL A 334
PHE A 371
VAL A 212
 None
 1.40A 1o86A-3rd8A:
3.2		 1o86A-3rd8A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		4 SER A  38
VAL A  85
PHE A  29
VAL A  22
 None
 1.35A 1o86A-3slzA:
undetectable		 1o86A-3slzA:
12.87
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.
3vpc PUTATIVE
ACETYLORNITHINE
DEACETYLASE

(Sulfurisphaera
tokodaii) 		PF08443
(RimK) 		4 SER A 235
VAL A 222
PHE A 233
VAL A 268
 None
 1.47A 1o86A-3vpcA:
undetectable		 1o86A-3vpcA:
19.24
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.
3w9v PHOSPHATE-BINDING
PROTEIN

(unidentified
prokaryotic
organism) 		PF12849
(PBP_like_2) 		4 SER A  88
VAL A 350
PHE A 319
VAL A  19
 None
 1.44A 1o86A-3w9vA:
undetectable		 1o86A-3w9vA:
21.08
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.
3zhe PROTEIN SMG-7

(Caenorhabditis
elegans) 		PF10373
(EST1_DNA_bind) 		4 SER B 265
VAL B 284
PHE B 208
VAL B 184
 None
 1.19A 1o86A-3zheB:
undetectable		 1o86A-3zheB:
21.68
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.
4crm EUKARYOTIC PEPTIDE
CHAIN RELEASE FACTOR
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF03464
(eRF1_2)
PF03465
(eRF1_3) 		4 SER X 268
VAL X 275
PHE X 145
VAL X 158
 None
 1.46A 1o86A-4crmX:
undetectable		 1o86A-4crmX:
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.
4dqn PUTATIVE
BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE
ILVE

(Streptococcus
mutans) 		PF01063
(Aminotran_4) 		4 SER A 290
VAL A 310
PHE A 166
VAL A 221
 None
 1.43A 1o86A-4dqnA:
undetectable		 1o86A-4dqnA:
19.31
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.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 SER A1016
VAL A1075
PHE A1031
VAL A1010
 None
None
PTR  A1008 ( 4.7A)
PTR  A1008 ( 4.1A)
 1.45A 1o86A-4gl9A:
undetectable		 1o86A-4gl9A:
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.
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 SER B 443
VAL B 345
PHE B 462
VAL B 504
 None
 1.14A 1o86A-4k3jB:
undetectable		 1o86A-4k3jB:
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 SER B  90
VAL B 144
PHE B 224
VAL B 244
 PYC  B 904 (-3.1A)
None
PYC  B 904 ( 4.8A)
None
 1.17A 1o86A-4k7gB:
undetectable		 1o86A-4k7gB:
20.26
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		4 SER A 413
VAL A 481
PHE A 388
VAL A 444
 None
 1.19A 1o86A-4n49A:
undetectable		 1o86A-4n49A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ohn ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		4 SER A 107
VAL A 231
PHE A  49
VAL A 202
 HIS  A 301 (-2.2A)
None
HIS  A 301 (-3.4A)
None
 1.13A 1o86A-4ohnA:
undetectable		 1o86A-4ohnA:
18.55
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.
4qb7 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13149
(Mfa_like_1) 		4 SER A 273
VAL A 196
PHE A 209
VAL A 314
 None
 1.48A 1o86A-4qb7A:
undetectable		 1o86A-4qb7A:
20.07
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.
4r1n 3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Clostridium
butyricum) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 SER A 169
VAL A 177
PHE A 139
VAL A  85
 None
 1.48A 1o86A-4r1nA:
undetectable		 1o86A-4r1nA:
18.41
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 SER B 138
VAL B 216
PHE B 148
VAL B  81
 None
 1.45A 1o86A-4w5uB:
undetectable		 1o86A-4w5uB:
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.
4yog 3C-LIKE PROTEINASE

(Tylonycteris
bat coronavirus
HKU4) 		PF05409
(Peptidase_C30) 		4 SER A 150
VAL A  13
PHE A 129
VAL A 131
 None
 1.34A 1o86A-4yogA:
undetectable		 1o86A-4yogA:
18.96
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 SER A 735
VAL A 703
PHE A 716
VAL A 721
 None
 1.44A 1o86A-4zg7A:
undetectable		 1o86A-4zg7A:
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 SER A 185
VAL A 108
PHE A  71
VAL A  89
 None
 1.49A 1o86A-5eefA:
undetectable		 1o86A-5eefA:
21.19
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		4 SER A 611
VAL A 607
PHE A 690
VAL A 158
 C2E  A 919 (-3.5A)
None
None
None
 1.21A 1o86A-5ej1A:
3.9		 1o86A-5ej1A:
21.03
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.
5fms INTRAFLAGELLAR
TRANSPORT PROTEIN 52
HOMOLOG

(Mus musculus) 		PF09822
(ABC_transp_aux) 		4 SER A 216
VAL A 213
PHE A  95
VAL A  18
 None
 0.97A 1o86A-5fmsA:
undetectable		 1o86A-5fmsA:
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		4 SER A 204
VAL A 406
PHE A 286
VAL A 128
 None
 1.38A 1o86A-5fv4A:
undetectable		 1o86A-5fv4A:
20.61
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.
5h5y NON-LEE ENCODED
EFFECTOR PROTEIN
NLEB

(Escherichia
coli) 		no annotation 4 SER A 237
VAL A 240
PHE A 306
VAL A  24
 None
 1.46A 1o86A-5h5yA:
2.1		 1o86A-5h5yA:
8.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC
CRISPR SYSTEM
CASCADE SUBUNIT CASE

(Escherichia
coli) 		PF08798
(CRISPR_assoc)
PF09344
(Cas_CT1975) 		4 SER D  14
VAL D 223
PHE D 219
VAL K 166
 None
 1.33A 1o86A-5h9fD:
undetectable		 1o86A-5h9fD:
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.
5icq METHYLOCYSTIS PARVUS
OBBP MBNE

(Methylocystis
parvus) 		PF00496
(SBP_bac_5) 		4 SER A 465
VAL A 473
PHE A 346
VAL A 351
 None
 1.48A 1o86A-5icqA:
undetectable		 1o86A-5icqA:
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.
5ig2 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		PF00106
(adh_short) 		4 SER A 143
VAL A 163
PHE A  18
VAL A 237
 ACT  A 302 ( 2.7A)
None
NAD  A 301 (-4.1A)
None
 1.13A 1o86A-5ig2A:
undetectable		 1o86A-5ig2A:
20.61
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 SER A  82
VAL A  85
PHE A 348
VAL A 340
 None
 1.34A 1o86A-5iq0A:
undetectable		 1o86A-5iq0A:
20.76
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.
5k8k UDP-2,3-DIACYLGLUCOS
AMINE HYDROLASE

(Haemophilus
influenzae) 		PF00149
(Metallophos) 		4 SER A  13
VAL A  60
PHE A  46
VAL A 151
 ACT  A 304 ( 3.8A)
None
ACT  A 304 ( 4.2A)
None
 1.49A 1o86A-5k8kA:
undetectable		 1o86A-5k8kA:
16.44
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		4 SER A 200
VAL A 262
PHE A 115
VAL A 167
 None
 1.25A 1o86A-5mifA:
undetectable		 1o86A-5mifA:
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.
5n1t COPC

(Thioalkalivibrio
paradoxus) 		no annotation 4 SER M  35
VAL M  64
PHE M  26
VAL M  87
 None
 1.40A 1o86A-5n1tM:
undetectable		 1o86A-5n1tM:
10.10
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 SER A 577
VAL A 610
PHE A 471
VAL A 347
 None
 1.17A 1o86A-5u47A:
undetectable		 1o86A-5u47A:
21.09
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 SER A 238
VAL A  16
PHE A 267
VAL A 314
 None
 1.45A 1o86A-5u4hA:
undetectable		 1o86A-5u4hA:
21.36
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 4 SER A 387
VAL A 332
PHE A 380
VAL A 413
 None
 1.39A 1o86A-5uqrA:
2.2		 1o86A-5uqrA:
9.90
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.
5vjj AVIRULENCE PROTEIN
AVRP123

(Melampsora lini) 		no annotation 4 SER A  85
VAL A  34
PHE A  49
VAL A  51
 None
 0.97A 1o86A-5vjjA:
undetectable		 1o86A-5vjjA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wro ENOLASE

(Drosophila
melanogaster) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 SER A 182
VAL A  89
PHE A 448
VAL A 412
 None
 1.46A 1o86A-5wroA:
undetectable		 1o86A-5wroA:
22.98
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 4 SER A 585
VAL A 617
PHE A 627
VAL A 582
 None
 1.44A 1o86A-6bv2A:
6.7		 1o86A-6bv2A:
10.58
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.
6fpd PROTEIN AB21

(Agaricus
bisporus) 		no annotation 4 SER A 145
VAL A  97
PHE A   9
VAL A 183
 None
None
NA  A 301 (-4.4A)
None
 1.47A 1o86A-6fpdA:
5.6		 1o86A-6fpdA:
8.61