SIMILAR PATTERNS OF AMINO ACIDS FOR 2X91_A_LPRA1615

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
 0.88A 2x91A-1f82A:
2.2		 2x91A-1f82A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLN A  49
HIS A 167
GLU A 140
HIS A 141
LYS A  52
 None
CO3  A 903 (-3.9A)
CO3  A 903 (-3.1A)
SAH  A 900 ( 4.8A)
SAH  A 900 ( 4.7A)
 1.49A 2x91A-1l1eA:
undetectable		 2x91A-1l1eA:
17.85
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.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		5 HIS A 118
HIS A  92
GLU A  91
HIS A  88
GLU A 169
 None
ZN  A 963 (-3.2A)
ZN  A 963 (-3.8A)
ZN  A 963 (-3.2A)
ZN  A 963 (-2.1A)
 1.16A 2x91A-1q2lA:
undetectable		 2x91A-1q2lA:
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.
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)
 0.30A 2x91A-1y791:
19.9		 2x91A-1y791:
24.08
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.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		5 HIS A 211
GLU A 175
HIS A 189
HIS A  59
VAL A 136
 ZN  A 246 (-3.2A)
None
None
ZN  A 245 (-3.3A)
None
 1.24A 2x91A-1zkpA:
undetectable		 2x91A-1zkpA:
18.27
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.
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)
 1.29A 2x91A-2h1nA:
25.0		 2x91A-2h1nA:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		7 HIS A 356
GLU A 357
HIS A 360
GLU A 384
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)
None
None
UNL  A 605 ( 4.5A)
 0.43A 2x91A-2h1nA:
25.0		 2x91A-2h1nA:
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 GLN A  62
HIS A 234
GLU A 231
GLU A 134
TYR B  83
 None
FE  A 502 (-3.3A)
FE  A 502 (-2.6A)
FE  A 502 ( 2.5A)
None
 1.20A 2x91A-2incA:
undetectable		 2x91A-2incA:
22.59
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 HIS A 473
GLU A 474
HIS A 477
GLU A 502
TYR A 612
 ZN  A 690 (-3.4A)
ZN  A 690 ( 4.1A)
ZN  A 690 (-3.3A)
ZN  A 690 (-2.3A)
None
 1.13A 2x91A-2o36A:
18.2		 2x91A-2o36A:
22.76
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.
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
 1.13A 2x91A-2o3eA:
18.5		 2x91A-2o3eA:
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.
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
 0.96A 2x91A-2qn0A:
undetectable		 2x91A-2qn0A:
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.
2qn0 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 229
GLU A 230
HIS A 233
LYS A  68
TYR A 375
 ZN  A 431 (-3.3A)
ZN  A 431 ( 4.0A)
ZN  A 431 (-3.3A)
None
None
 1.40A 2x91A-2qn0A:
undetectable		 2x91A-2qn0A:
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.
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
 0.89A 2x91A-2xpzA:
undetectable		 2x91A-2xpzA:
23.45
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) 		11 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 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 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.28A 2x91A-2xy9A:
52.3		 2x91A-2xy9A:
44.26
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) 		9 HIS A 353
GLU A 384
HIS A 383
GLU A 411
LYS A 511
HIS A 513
VAL A 518
TYR A 520
TYR A 523
 3ES  A1635 (-3.8A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1636 (-4.1A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 1.40A 2x91A-2xy9A:
52.3		 2x91A-2xy9A:
44.26
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) 		10 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
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 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.22A 2x91A-2xydA:
50.9		 2x91A-2xydA:
40.68
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) 		8 HIS A 331
GLU A 362
HIS A 361
GLU A 389
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
3ES  A1611 (-2.5A)
3ES  A1611 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.43A 2x91A-2xydA:
50.9		 2x91A-2xydA:
40.68
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.
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)
 0.72A 2x91A-2yd0A:
5.4		 2x91A-2yd0A:
22.79
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.
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)
 1.26A 2x91A-3ahmA:
25.4		 2x91A-3ahmA:
23.60
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 7 HIS A 356
GLU A 357
HIS A 360
GLU A 384
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 (-4.5A)
ACT  A 567 (-3.6A)
 0.33A 2x91A-3ahmA:
25.4		 2x91A-3ahmA:
23.60
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.
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
 0.82A 2x91A-3ciaA:
6.8		 2x91A-3ciaA:
23.34
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.
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
 1.22A 2x91A-3dwcA:
20.8		 2x91A-3dwcA:
23.46
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.
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)
 0.89A 2x91A-3fiiA:
undetectable		 2x91A-3fiiA:
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.
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
 0.89A 2x91A-3hoaA:
21.8		 2x91A-3hoaA:
23.50
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.
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)
 0.54A 2x91A-3hq2A:
23.3		 2x91A-3hq2A:
24.72
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		5 HIS A 408
GLU A 295
HIS A 265
GLU A 266
HIS A 234
 None
ZN  A 502 ( 2.2A)
ZN  A 502 ( 3.4A)
PO4  A 503 (-3.0A)
None
 1.32A 2x91A-3hq2A:
23.3		 2x91A-3hq2A:
24.72
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.
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 2x91A-3iukA:
7.9		 2x91A-3iukA:
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.
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)
 0.74A 2x91A-3o0yA:
7.8		 2x91A-3o0yA:
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.
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)
 0.41A 2x91A-3p1vA:
2.0		 2x91A-3p1vA:
21.30
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.
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
 0.82A 2x91A-3s5kA:
undetectable		 2x91A-3s5kA:
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 5 HIS A 356
GLU A 357
HIS A 360
GLU A 384
TYR A 490
 ZN  A 568 ( 3.3A)
PO4  A 566 (-3.2A)
ZN  A 568 ( 3.3A)
ZN  A 568 ( 2.0A)
PO4  A 566 (-4.5A)
 0.33A 2x91A-3sksA:
23.6		 2x91A-3sksA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2x91A-3u24A:
9.5		 2x91A-3u24A:
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.
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
 0.98A 2x91A-3u24A:
9.5		 2x91A-3u24A:
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.
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)
 0.61A 2x91A-3u9wA:
3.3		 2x91A-3u9wA:
20.09
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.
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)
 1.07A 2x91A-3wqoA:
undetectable		 2x91A-3wqoA:
19.54
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 HIS A 119
HIS A 231
GLU A 260
HIS A  78
VAL A  49
 MN  A1002 (-3.4A)
MN  A1001 (-3.6A)
MN  A1002 ( 4.9A)
MN  A1002 (-3.6A)
None
 1.14A 2x91A-3wqoA:
undetectable		 2x91A-3wqoA:
19.54
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.
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
 0.89A 2x91A-3zusA:
2.2		 2x91A-3zusA:
20.51
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.
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
 0.63A 2x91A-4ar9A:
3.4		 2x91A-4ar9A:
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.
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)
 0.62A 2x91A-4fgmA:
5.4		 2x91A-4fgmA:
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.
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
 0.75A 2x91A-4fysA:
3.3		 2x91A-4fysA:
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.
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)
 0.63A 2x91A-4gaaA:
3.4		 2x91A-4gaaA:
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.
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
 0.69A 2x91A-4j1lA:
undetectable		 2x91A-4j1lA:
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.
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)
 0.63A 2x91A-4j3bA:
7.5		 2x91A-4j3bA:
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.
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
 1.15A 2x91A-4ka8A:
20.8		 2x91A-4ka8A:
22.06
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.
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
 0.35A 2x91A-4ka8A:
20.8		 2x91A-4ka8A:
22.06
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.
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)
 0.75A 2x91A-4kxbA:
5.7		 2x91A-4kxbA:
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.
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
 0.85A 2x91A-4pj6A:
4.0		 2x91A-4pj6A:
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.
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)
 0.63A 2x91A-4pkvA:
undetectable		 2x91A-4pkvA:
21.02
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.
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)
 0.62A 2x91A-4qmeA:
4.8		 2x91A-4qmeA:
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.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 HIS A 318
GLU A 319
HIS A 323
GLU A 363
TYR A 281
 FE  A1491 ( 3.5A)
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
FE  A1491 ( 2.0A)
None
 1.41A 2x91A-4v06A:
undetectable		 2x91A-4v06A:
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.
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)
 1.09A 2x91A-4wgkA:
undetectable		 2x91A-4wgkA:
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.
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
 0.71A 2x91A-4wz9A:
3.9		 2x91A-4wz9A:
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.
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)
 0.65A 2x91A-4xmvA:
4.5		 2x91A-4xmvA:
22.01
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.
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)
 1.37A 2x91A-4zk6A:
undetectable		 2x91A-4zk6A:
21.22
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.
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)
 0.99A 2x91A-4zktA:
undetectable		 2x91A-4zktA:
18.12
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) 		12 GLN A 265
HIS A 337
HIS A 367
GLU A 368
HIS A 371
GLU A 395
LYS A 495
TYR A 496
HIS A 497
VAL A 502
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 (-2.7A)
None
MLT  A1615 (-4.0A)
None
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 0.19A 2x91A-5a2rA:
61.0		 2x91A-5a2rA:
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.
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
 0.81A 2x91A-5dllA:
3.0		 2x91A-5dllA:
24.18
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.
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 2x91A-5e3xA:
23.0		 2x91A-5e3xA:
23.16
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.
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)
 0.71A 2x91A-5j6sA:
7.3		 2x91A-5j6sA:
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.
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)
 0.49A 2x91A-5kdxA:
undetectable		 2x91A-5kdxA:
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.
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)
 0.42A 2x91A-5l44A:
19.8		 2x91A-5l44A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.56A 2x91A-5o7eA:
3.3		 2x91A-5o7eA:
10.53
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.
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)
 0.72A 2x91A-6bv2A:
2.2		 2x91A-6bv2A:
8.75
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.
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
 0.84A 2x91A-6bvdA:
2.1		 2x91A-6bvdA:
9.58
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.
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
 0.90A 2x91A-6f4eA:
undetectable		 2x91A-6f4eA:
8.29
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.
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)
 0.70A 2x91A-6fpcA:
3.1		 2x91A-6fpcA:
8.03
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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		3 SER A 390
THR A  91
PHE A  59
 None
 0.77A 2x91A-1attA:
0.0		 2x91A-1attA:
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.
1ece ENDOCELLULASE E1

(Acidothermus
cellulolyticus) 		PF00150
(Cellulase) 		3 SER A 353
THR A  60
PHE A 283
 None
 0.65A 2x91A-1eceA:
0.0		 2x91A-1eceA:
18.57
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.
1ev1 ECHOVIRUS 1

(Enterovirus B) 		PF00073
(Rhv) 		3 SER 3  94
THR 3  99
PHE 3 221
 None
 0.66A 2x91A-1ev13:
0.0		 2x91A-1ev13:
19.88
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.
1hg2 CLATHRIN ASSEMBLY
PROTEIN SHORT FORM

(Rattus
norvegicus) 		PF07651
(ANTH) 		3 SER A 185
THR A 189
PHE A  76
 None
 0.76A 2x91A-1hg2A:
0.0		 2x91A-1hg2A:
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.
1hux ACTIVATOR OF
(R)-2-HYDROXYGLUTARY
L-COA DEHYDRATASE

(Acidaminococcus
fermentans) 		PF01869
(BcrAD_BadFG) 		3 SER A   2
THR A   5
PHE A  92
 None
 0.65A 2x91A-1huxA:
undetectable		 2x91A-1huxA:
18.06
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		3 SER A  57
THR A  97
PHE A 272
 None
 0.69A 2x91A-1kl7A:
2.1		 2x91A-1kl7A:
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.
1lvm CATALYTIC DOMAIN OF
THE NUCLEAR
INCLUSION PROTEIN A
(NIA)

(Tobacco etch
virus) 		PF00863
(Peptidase_C4) 		3 SER A 153
THR A  43
PHE A  91
 None
 0.77A 2x91A-1lvmA:
0.0		 2x91A-1lvmA:
16.45
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.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		3 SER A  68
THR A  73
PHE A 203
 None
 0.77A 2x91A-1nd4A:
0.0		 2x91A-1nd4A:
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.
1psq PROBABLE THIOL
PEROXIDASE

(Streptococcus
pneumoniae) 		PF08534
(Redoxin) 		3 SER A  52
THR A  79
PHE A 153
 None
 0.62A 2x91A-1psqA:
undetectable		 2x91A-1psqA:
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 SER A 379
THR A 442
PHE A 438
 None
 0.64A 2x91A-1v10A:
0.0		 2x91A-1v10A:
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.
1yi7 BETA-XYLOSIDASE,
FAMILY 43 GLYCOSYL
HYDROLASE

(Clostridium
acetobutylicum) 		PF04616
(Glyco_hydro_43) 		3 SER A 496
THR A 507
PHE A 380
 None
 0.75A 2x91A-1yi7A:
undetectable		 2x91A-1yi7A:
20.67
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.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		3 SER A 494
THR A 505
PHE A 379
 None
 0.74A 2x91A-1yifA:
undetectable		 2x91A-1yifA:
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		3 SER A1370
THR A1338
PHE A1518
 None
 0.71A 2x91A-1yrzA:
undetectable		 2x91A-1yrzA:
21.24
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.
2azp HYPOTHETICAL PROTEIN
PA1268

(Pseudomonas
aeruginosa) 		PF05544
(Pro_racemase) 		3 SER A 128
THR A  11
PHE A  78
 None
 0.75A 2x91A-2azpA:
undetectable		 2x91A-2azpA:
17.73
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.
2c1d SOXA

(Paracoccus
denitrificans) 		no annotation 3 SER A  63
THR A  48
PHE A  53
 None
 0.68A 2x91A-2c1dA:
undetectable		 2x91A-2c1dA:
17.54
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.
2co7 SAFA PILUS SUBUNIT

(Salmonella
enterica) 		PF09460
(Saf-Nte_pilin) 		3 SER A  91
THR A  72
PHE A  57
 None
 0.74A 2x91A-2co7A:
undetectable		 2x91A-2co7A:
12.52
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Methanothermobacter
thermautotrophicus) 		PF00710
(Asparaginase) 		3 SER A 184
THR A 156
PHE A 117
 None
 0.74A 2x91A-2d6fA:
undetectable		 2x91A-2d6fA:
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.
2dd7 GREEN FLUORESCENT
PROTEIN

(Chiridius
poppei) 		PF01353
(GFP) 		3 SER A  63
THR A  68
PHE A 174
 None
 0.75A 2x91A-2dd7A:
undetectable		 2x91A-2dd7A:
18.47
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		3 SER A 496
THR A 507
PHE A 380
 None
 0.72A 2x91A-2exhA:
undetectable		 2x91A-2exhA:
21.56
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.
2gw3 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		3 SER A  92
THR A 104
PHE A  23
 None
 0.75A 2x91A-2gw3A:
undetectable		 2x91A-2gw3A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gw4 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		3 SER B  92
THR B 104
PHE A  23
 None
 0.75A 2x91A-2gw4B:
undetectable		 2x91A-2gw4B:
15.44
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.
2gxa REPLICATION PROTEIN
E1

(Deltapapillomavirus
4) 		PF00519
(PPV_E1_C) 		3 SER A 522
THR A 437
PHE A 402
 None
ADP  A   1 (-4.5A)
None
 0.66A 2x91A-2gxaA:
undetectable		 2x91A-2gxaA:
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		3 SER A 241
THR A 342
PHE A 387
 None
 0.66A 2x91A-2okxA:
undetectable		 2x91A-2okxA:
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.
2opa PROBABLE TAUTOMERASE
YWHB

(Bacillus
subtilis) 		PF01361
(Tautomerase) 		3 SER A  34
THR A  24
PHE A  41
 None
 0.66A 2x91A-2opaA:
undetectable		 2x91A-2opaA:
8.21
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 SER A 364
THR A 367
PHE A 472
 None
 0.71A 2x91A-2q27A:
undetectable		 2x91A-2q27A:
23.24
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.
2r3s UNCHARACTERIZED
PROTEIN

(Nostoc
punctiforme) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		3 SER A 287
THR A 293
PHE A 139
 None
None
EDO  A 337 ( 4.2A)
 0.77A 2x91A-2r3sA:
undetectable		 2x91A-2r3sA:
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.
2rfq 3-HSA HYDROXYLASE,
OXYGENASE

(Rhodococcus
jostii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		3 SER A  37
THR A  44
PHE A  65
 None
 0.69A 2x91A-2rfqA:
3.5		 2x91A-2rfqA:
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.
2v9p REPLICATION PROTEIN
E1

(Deltapapillomavirus
4) 		PF00519
(PPV_E1_C) 		3 SER A 522
THR A 437
PHE A 402
 None
 0.75A 2x91A-2v9pA:
undetectable		 2x91A-2v9pA:
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.
2vkw NEURAL CELL ADHESION
MOLECULE 1,140 KDA
ISOFORM

(Homo sapiens) 		PF00041
(fn3) 		3 SER A 662
THR A 691
PHE A 687
 None
 0.72A 2x91A-2vkwA:
undetectable		 2x91A-2vkwA:
17.35
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.
2w7q OUTER-MEMBRANE
LIPOPROTEIN CARRIER
PROTEIN

(Pseudomonas
aeruginosa) 		PF03548
(LolA) 		3 SER A  41
THR A  71
PHE A  67
 None
 0.73A 2x91A-2w7qA:
undetectable		 2x91A-2w7qA:
17.34
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		3 SER A 751
THR A 666
PHE A 350
 None
 0.71A 2x91A-2wzsA:
undetectable		 2x91A-2wzsA:
21.27
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		3 SER A 100
THR A 344
PHE A 340
 None
 0.62A 2x91A-2x98A:
undetectable		 2x91A-2x98A:
22.67
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) 		3 SER A 333
THR A 358
PHE A 435
 3ES  A1611 (-4.4A)
3ES  A1611 (-3.6A)
3ES  A1611 ( 4.2A)
 0.27A 2x91A-2xydA:
50.9		 2x91A-2xydA:
40.68
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		3 SER A 720
THR A 513
PHE A 604
 None
 0.62A 2x91A-3cf4A:
undetectable		 2x91A-3cf4A:
22.40
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 SER A 523
THR A 627
PHE A 631
 None
 0.54A 2x91A-3cmgA:
undetectable		 2x91A-3cmgA:
21.39
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.
3g23 LD-CARBOXYPEPTIDASE
A

(Novosphingobium
aromaticivorans) 		PF02016
(Peptidase_S66) 		3 SER A 137
THR A 142
PHE A  37
 None
 0.74A 2x91A-3g23A:
undetectable		 2x91A-3g23A:
19.43
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.
3gtd FUMARATE HYDRATASE
CLASS II

(Rickettsia
prowazekii) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		3 SER A 372
THR A 152
PHE A 144
 None
 0.78A 2x91A-3gtdA:
2.4		 2x91A-3gtdA:
21.47
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.
3gwe 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE III

(Burkholderia
pseudomallei) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 SER A 122
THR A 306
PHE A 292
 None
 0.72A 2x91A-3gweA:
undetectable		 2x91A-3gweA:
21.18
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		3 SER A 112
THR A 124
PHE A 262
 None
 0.74A 2x91A-3hv1A:
undetectable		 2x91A-3hv1A:
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		3 SER A 432
THR A 278
PHE A 475
 None
 0.76A 2x91A-3i5gA:
undetectable		 2x91A-3i5gA:
22.04
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.
3j1e CHAPERONIN BETA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		3 SER A 133
THR A 521
PHE A 110
 None
 0.69A 2x91A-3j1eA:
undetectable		 2x91A-3j1eA:
23.80
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.
3j97 VESICLE-FUSING
ATPASE

(Cricetulus
griseus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		3 SER A 569
THR A 550
PHE A 661
 None
 0.74A 2x91A-3j97A:
undetectable		 2x91A-3j97A:
21.53
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.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		3 SER A 491
THR A 536
PHE A 565
 None
NAG  A1312 ( 4.3A)
None
 0.76A 2x91A-3jd8A:
2.7		 2x91A-3jd8A:
18.33
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.
3l7i TEICHOIC ACID
BIOSYNTHESIS PROTEIN
F

(Staphylococcus
epidermidis) 		PF04464
(Glyphos_transf) 		3 SER A 359
THR A 427
PHE A 497
 None
 0.71A 2x91A-3l7iA:
undetectable		 2x91A-3l7iA:
22.80
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.
3lr2 MAJOR AMPULLATE
SPIDROIN 1

(Euprosthenops
australis) 		PF16763
(Spidroin_N) 		3 SER A  91
THR A 121
PHE A  23
 None
 0.67A 2x91A-3lr2A:
undetectable		 2x91A-3lr2A:
13.51
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.
3n8u IMELYSIN PEPTIDASE

(Bacteroides
ovatus) 		PF09375
(Peptidase_M75) 		3 SER A 162
THR A 264
PHE A 313
 None
 0.59A 2x91A-3n8uA:
1.7		 2x91A-3n8uA:
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.
3nom GLUTAMINE
CYCLOTRANSFERASE

(Zymomonas
mobilis) 		PF05096
(Glu_cyclase_2) 		3 SER A 222
THR A  41
PHE A 250
 None
 0.77A 2x91A-3nomA:
undetectable		 2x91A-3nomA:
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.
3p7x PROBABLE THIOL
PEROXIDASE

(Staphylococcus
aureus) 		PF08534
(Redoxin) 		3 SER A  54
THR A  80
PHE A 154
 None
 0.64A 2x91A-3p7xA:
undetectable		 2x91A-3p7xA:
15.48
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.
3qsq CAPSID POLYPROTEIN

(Mamastrovirus 1) 		PF12226
(Astro_capsid_p) 		3 SER A 554
THR A 578
PHE A 582
 None
 0.65A 2x91A-3qsqA:
undetectable		 2x91A-3qsqA:
18.57
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.
3rqz METALLOPHOSPHOESTERA
SE

(Sphaerobacter
thermophilus) 		PF12850
(Metallophos_2) 		3 SER A 116
THR A 148
PHE A 212
 None
 0.78A 2x91A-3rqzA:
undetectable		 2x91A-3rqzA:
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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		3 SER A 412
THR A 442
PHE A 777
 None
None
EDO  A 795 ( 3.6A)
 0.75A 2x91A-3tbkA:
2.5		 2x91A-3tbkA:
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.
3tev GLYCOSYL HYROLASE,
FAMILY 3

(Deinococcus
radiodurans) 		PF00933
(Glyco_hydro_3) 		3 SER A 260
THR A 236
PHE A 209
 None
 0.70A 2x91A-3tevA:
undetectable		 2x91A-3tevA:
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.
4a2p RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 SER A 413
THR A 443
PHE A 777
 None
 0.72A 2x91A-4a2pA:
3.1		 2x91A-4a2pA:
20.43
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		3 SER A 413
THR A 443
PHE A 777
 None
 0.77A 2x91A-4a2qA:
3.2		 2x91A-4a2qA:
21.87
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		3 SER A 413
THR A 443
PHE A 777
 None
 0.76A 2x91A-4a2wA:
3.0		 2x91A-4a2wA:
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.
4ay2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		3 SER A 411
THR A 441
PHE A 776
 None
 0.71A 2x91A-4ay2A:
3.0		 2x91A-4ay2A:
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.
4c0j MITOCHONDRIAL RHO
GTPASE

(Drosophila
melanogaster) 		PF00071
(Ras)
PF08355
(EF_assoc_1)
PF08356
(EF_assoc_2) 		3 SER A 489
THR A 599
PHE A 588
 None
 0.77A 2x91A-4c0jA:
undetectable		 2x91A-4c0jA:
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 SER A 231
THR A 428
PHE A 249
 None
 0.72A 2x91A-4c23A:
undetectable		 2x91A-4c23A:
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.
4c2l ENDO-XYLOGALACTURONA
N HYDROLASE A

(Aspergillus
tubingensis) 		PF00295
(Glyco_hydro_28) 		3 SER A 265
THR A 287
PHE A 316
 None
 0.72A 2x91A-4c2lA:
undetectable		 2x91A-4c2lA:
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		3 SER A1039
THR A1025
PHE A1076
 None
 0.71A 2x91A-4czwA:
undetectable		 2x91A-4czwA:
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		3 SER A 184
THR A 162
PHE A 134
 None
PO4  A 300 (-3.5A)
None
 0.77A 2x91A-4ecfA:
undetectable		 2x91A-4ecfA:
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.
4gzu FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		3 SER A 919
THR A 909
PHE A 954
 None
 0.68A 2x91A-4gzuA:
undetectable		 2x91A-4gzuA:
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.
4hkx HEMAGGLUTININ HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		3 SER E 210
THR E 235
PHE E 121
 None
 0.74A 2x91A-4hkxE:
undetectable		 2x91A-4hkxE:
18.68
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.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		3 SER A 422
THR A 436
PHE A 275
 None
 0.69A 2x91A-4ikvA:
undetectable		 2x91A-4ikvA:
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.
4k8y KALLIKREIN-4

(Homo sapiens) 		PF00089
(Trypsin) 		3 SER A 122
THR A 235
PHE A 181
 None
 0.69A 2x91A-4k8yA:
undetectable		 2x91A-4k8yA:
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 3 SER E 273
THR E 254
PHE E 284
 None
 0.72A 2x91A-4kprE:
2.7		 2x91A-4kprE:
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.
4l3n S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF09408
(Spike_rec_bind) 		3 SER A 426
THR A 574
PHE A 446
 None
 0.64A 2x91A-4l3nA:
undetectable		 2x91A-4l3nA:
15.06
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.
4ll6 MYOSIN-4

(Saccharomyces
cerevisiae) 		PF01843
(DIL) 		3 SER A1194
THR A1230
PHE A1162
 None
 0.66A 2x91A-4ll6A:
undetectable		 2x91A-4ll6A:
20.40
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.
4ll8 MYOSIN-4

(Saccharomyces
cerevisiae) 		PF01843
(DIL) 		3 SER A1194
THR A1230
PHE A1162
 None
 0.69A 2x91A-4ll8A:
undetectable		 2x91A-4ll8A:
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.
4llv 4E10 FV LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		3 SER B  94
THR B  97
PHE B  71
 None
 0.54A 2x91A-4llvB:
undetectable		 2x91A-4llvB:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		3 SER A  32
THR A 234
PHE A  91
 None
 0.60A 2x91A-4meaA:
undetectable		 2x91A-4meaA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nh0 CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		3 SER A 975
THR A 835
PHE A1029
 None
ATP  A1405 (-4.9A)
None
 0.69A 2x91A-4nh0A:
undetectable		 2x91A-4nh0A:
19.71
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.
4nsc CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		3 SER A 252
THR A 214
PHE A 206
 None
 0.64A 2x91A-4nscA:
undetectable		 2x91A-4nscA:
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.
4ph8 AGGREGATIVE
ADHERENCE FIMBRIAL
SUBUNIT AGGA

(Escherichia
coli) 		no annotation 3 SER A  29
THR A  32
PHE A  36
 None
 0.77A 2x91A-4ph8A:
undetectable		 2x91A-4ph8A:
13.04
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.
4q60 PROLINE RACEMASE

(Burkholderia
multivorans) 		PF05544
(Pro_racemase) 		3 SER A 129
THR A  12
PHE A  79
 None
 0.74A 2x91A-4q60A:
undetectable		 2x91A-4q60A:
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.
4rlq BENZOATE-COENZYME A
LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 SER A 382
THR A 201
PHE A  80
 GOL  A1002 (-4.6A)
None
None
 0.77A 2x91A-4rlqA:
undetectable		 2x91A-4rlqA:
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.
4u36 SEED LECTIN

(Vatairea
macrocarpa) 		PF00139
(Lectin_legB) 		3 SER A 128
THR A  85
PHE A  75
 CIT  A 308 (-4.5A)
CIT  A 308 (-4.8A)
None
 0.75A 2x91A-4u36A:
undetectable		 2x91A-4u36A:
17.28
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.
4x6d T-CELL SURFACE
GLYCOPROTEIN CD1A

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		3 SER A  33
THR A  37
PHE A  70
 None
None
OLA  A 304 ( 4.4A)
 0.76A 2x91A-4x6dA:
undetectable		 2x91A-4x6dA:
19.72
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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		3 SER A  36
THR A 413
PHE A 405
 None
 0.76A 2x91A-4xydA:
undetectable		 2x91A-4xydA:
20.93
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) 		3 SER A 339
THR A 364
PHE A 441
 None
None
MLT  A1615 ( 4.8A)
 0.09A 2x91A-5a2rA:
61.0		 2x91A-5a2rA:
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.
5fn8 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE C

(Rattus
norvegicus) 		PF00041
(fn3) 		3 SER A 186
THR A 108
PHE A 147
 None
 0.66A 2x91A-5fn8A:
undetectable		 2x91A-5fn8A:
14.43
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.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		3 SER A 114
THR A  87
PHE A 200
 EDO  A1463 (-2.8A)
None
None
 0.78A 2x91A-5ftgA:
undetectable		 2x91A-5ftgA:
22.70
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.
5gru DIABODY PROTEIN

(Mus musculus) 		PF07686
(V-set) 		3 SER L 215
THR L 218
PHE L 192
 SER  L 215 ( 0.0A)
THR  L 218 ( 0.8A)
PHE  L 192 ( 1.3A)
 0.64A 2x91A-5gruL:
undetectable		 2x91A-5gruL:
16.92
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		3 SER A 395
THR A 464
PHE A 523
 None
 0.57A 2x91A-5h42A:
3.4		 2x91A-5h42A:
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.
5hns NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		no annotation 3 SER A 491
THR A 536
PHE A 565
 None
NAG  A 710 ( 3.9A)
None
 0.77A 2x91A-5hnsA:
undetectable		 2x91A-5hnsA:
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		3 SER A 356
THR A 774
PHE A 295
 None
 0.56A 2x91A-5im3A:
2.1		 2x91A-5im3A:
22.62
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		3 SER A 379
THR A 402
PHE A 354
 None
 0.75A 2x91A-5ljoA:
undetectable		 2x91A-5ljoA:
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.
5mf1 FUSION PROTEIN
HAP2/GCS1

(Chlamydomonas
reinhardtii) 		PF10699
(HAP2-GCS1) 		3 SER A 513
THR A 572
PHE A 485
 None
 0.72A 2x91A-5mf1A:
undetectable		 2x91A-5mf1A:
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 3 SER A 231
THR A 234
PHE A 199
 None
 0.73A 2x91A-5n7qA:
undetectable		 2x91A-5n7qA:
10.15
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 SER A4214
THR A4221
PHE A1836
 None
 0.77A 2x91A-5nugA:
undetectable		 2x91A-5nugA:
8.97
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		3 SER T1362
THR T1366
PHE T1338
 None
 0.70A 2x91A-5ojsT:
undetectable		 2x91A-5ojsT:
9.62
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.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Gloeobacter
violaceus;
Mus musculus) 		no annotation 3 SER A  28
THR A 157
PHE A 225
 None
 0.64A 2x91A-5osbA:
2.5		 2x91A-5osbA:
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.
5tbd FV FRAGMENT (MAB4D1)
HEAVY CHAIN

(Mus musculus) 		no annotation 3 SER F 105
THR F 102
PHE E  64
 None
 0.73A 2x91A-5tbdF:
undetectable		 2x91A-5tbdF:
11.66
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		3 SER A 426
THR A 574
PHE A 446
 None
 0.69A 2x91A-5x59A:
2.7		 2x91A-5x59A:
18.24
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.
5y9h SAFD,PUTATIVE OUTER
MEMBRANE
PROTEIN,PUTATIVE
OUTER MEMBRANE
PROTEIN,PUTATIVE
OUTER MEMBRANE
PROTEIN

(Salmonella
enterica) 		no annotation 3 SER A 390
THR A 371
PHE A 356
 None
 0.57A 2x91A-5y9hA:
undetectable		 2x91A-5y9hA:
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.
5yd5 SCFV 4B08

(Mus musculus) 		no annotation 3 SER A 245
THR A 242
PHE A  66
 None
 0.75A 2x91A-5yd5A:
undetectable		 2x91A-5yd5A:
9.44
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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 3 SER A 494
THR A 505
PHE A 379
 None
 0.72A 2x91A-5zqjA:
undetectable		 2x91A-5zqjA:
8.53
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.
6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN
MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
LIGHT CHAIN

(Mus musculus) 		no annotation 3 SER L 100
THR L  97
PHE H  63
 None
 0.60A 2x91A-6bb4L:
undetectable		 2x91A-6bb4L:
8.64
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.
6emk TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Saccharomyces
cerevisiae) 		no annotation 3 SER B 226
THR B 267
PHE B 258
 None
 0.73A 2x91A-6emkB:
undetectable		 2x91A-6emkB:
9.70
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 3 SER A 112
THR A 119
PHE A   4
 None
 0.65A 2x91A-6fuyA:
undetectable		 2x91A-6fuyA:
8.58