SIMILAR PATTERNS OF AMINO ACIDS FOR 1J36_A_LPRA801

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.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 THR A 219
HIS A 222
GLU A 223
HIS A 226
GLU B 261
 None
ZN  A 501 ( 3.3A)
None
ZN  A 501 ( 3.4A)
ZN  A 501 ( 2.2A)
 0.52A 1j36A-1e1hA:
2.4		 1j36A-1e1hA:
20.13
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.
1eb6 NEUTRAL PROTEASE II

(Aspergillus
oryzae) 		PF02102
(Peptidase_M35) 		5 THR A 125
HIS A 128
GLU A 129
HIS A 132
TYR A 146
 None
ZN  A 178 (-3.3A)
ZN  A 178 ( 4.0A)
ZN  A 178 (-3.3A)
None
 0.59A 1j36A-1eb6A:
3.1		 1j36A-1eb6A:
16.03
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.
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
 0.92A 1j36A-1f82A:
undetectable		 1j36A-1f82A:
19.94
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLN A  49
HIS A 167
GLU A 140
LYS A  52
VAL A 134
 None
CO3  A1902 (-3.8A)
CO3  A1902 ( 3.6A)
None
None
 1.37A 1j36A-1kphA:
undetectable		 1j36A-1kphA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.48A 1j36A-1l1eA:
undetectable		 1j36A-1l1eA:
17.97
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.
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)
 1.15A 1j36A-1q2lA:
undetectable		 1j36A-1q2lA:
21.42
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLN A  49
HIS A 167
GLU A 140
LYS A  52
VAL A 134
 None
CO3  A 902 (-3.9A)
CO3  A 902 ( 3.3A)
SAH  A1900 ( 4.8A)
None
 1.37A 1j36A-1tpyA:
undetectable		 1j36A-1tpyA:
17.67
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 THR A 261
HIS A 230
HIS A 183
VAL A 109
TYR A  34
 None
SO4  A 304 (-3.3A)
ZN  A 302 (-3.2A)
None
None
 1.29A 1j36A-1xp3A:
undetectable		 1j36A-1xp3A:
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		8 THR 1 466
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 ( 4.6A)
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)
 0.41A 1j36A-1y791:
19.7		 1j36A-1y791:
23.91
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.
1zl6 BOTULINUM NEUROTOXIN
TYPE E

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 THR A 208
HIS A 211
GLU A 212
HIS A 215
GLU A 250
 None
ZN  A 422 ( 3.3A)
SO4  A 500 (-2.4A)
ZN  A 422 ( 3.3A)
ZN  A 422 ( 2.4A)
 0.61A 1j36A-1zl6A:
2.0		 1j36A-1zl6A:
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.
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)
 1.34A 1j36A-2h1nA:
24.4		 1j36A-2h1nA:
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.
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)
 0.51A 1j36A-2h1nA:
24.4		 1j36A-2h1nA:
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 THR A  14
HIS A  13
HIS A  11
GLU A  72
TYR A  74
 None
ZN  A1222 (-3.3A)
ZN  A1222 (-3.2A)
ZN  A1222 (-2.4A)
None
 1.42A 1j36A-2hpiA:
undetectable		 1j36A-2hpiA:
19.39
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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 THR A 220
HIS A 223
GLU A 224
HIS A 227
GLU A 262
 None
ZN  A   1 (-3.3A)
ZN  A   1 ( 4.2A)
ZN  A   1 (-3.3A)
ZN  A   1 (-2.0A)
 0.53A 1j36A-2nz9A:
5.6		 1j36A-2nz9A:
19.15
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 THR A 470
HIS A 473
GLU A 474
HIS A 477
GLU A 502
 None
ZN  A 690 (-3.4A)
ZN  A 690 ( 4.1A)
ZN  A 690 (-3.3A)
ZN  A 690 (-2.3A)
 0.44A 1j36A-2o36A:
18.4		 1j36A-2o36A:
22.88
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 THR A 470
HIS A 473
GLU A 474
HIS A 477
TYR A 612
 None
ZN  A 690 (-3.4A)
ZN  A 690 ( 4.1A)
ZN  A 690 (-3.3A)
None
 0.99A 1j36A-2o36A:
18.4		 1j36A-2o36A:
22.88
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		6 THR A 471
HIS A 474
GLU A 475
HIS A 478
GLU A 503
TYR A 613
 None
ZN  A 679 (-3.4A)
ZN  A 679 ( 4.5A)
ZN  A 679 (-3.3A)
ZN  A 679 (-2.1A)
None
 1.13A 1j36A-2o3eA:
18.9		 1j36A-2o3eA:
23.00
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.
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
 1.01A 1j36A-2qn0A:
2.1		 1j36A-2qn0A:
22.20
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.
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
 0.90A 1j36A-2xpzA:
5.3		 1j36A-2xpzA:
22.82
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)
 0.25A 1j36A-2xy9A:
51.0		 1j36A-2xy9A:
43.71
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)
 1.41A 1j36A-2xy9A:
51.0		 1j36A-2xy9A:
43.71
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
THR A 358
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 (-3.6A)
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)
 0.30A 1j36A-2xydA:
49.7		 1j36A-2xydA:
40.19
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 THR A 350
HIS A 353
GLU A 354
HIS A 357
GLU A 376
TYR A 438
 BES  A1950 ( 4.3A)
ZN  A1946 ( 3.3A)
BES  A1950 (-3.3A)
BES  A1950 ( 3.3A)
ZN  A1946 ( 2.1A)
BES  A1950 (-4.3A)
 0.77A 1j36A-2yd0A:
5.9		 1j36A-2yd0A:
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 THR A 260
HIS A 229
HIS A 182
VAL A 108
TYR A  34
 None
ZN  A 303 ( 3.3A)
ZN  A 303 ( 3.2A)
None
None
 1.25A 1j36A-3aalA:
undetectable		 1j36A-3aalA:
18.71
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.
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)
 1.29A 1j36A-3ahmA:
24.7		 1j36A-3ahmA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.44A 1j36A-3ahmA:
24.7		 1j36A-3ahmA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 HIS A 468
THR A 372
HIS A 344
HIS A 531
HIS A 440
 ZN  A 579 (-3.4A)
None
None
None
ZN  A 579 (-4.1A)
 1.49A 1j36A-3auoA:
undetectable		 1j36A-3auoA:
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.
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
 0.90A 1j36A-3ciaA:
6.7		 1j36A-3ciaA:
23.67
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.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		6 THR A 220
HIS A 223
GLU A 224
HIS A 227
GLU A 262
TYR A 366
 None
ZN  A 501 (-3.2A)
ZN  A 501 ( 4.4A)
ZN  A 501 (-3.3A)
ZN  A 501 (-1.9A)
None
 0.95A 1j36A-3dseA:
undetectable		 1j36A-3dseA:
20.73
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.
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 1j36A-3fiiA:
2.3		 1j36A-3fiiA:
22.43
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.
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
 0.86A 1j36A-3hoaA:
21.5		 1j36A-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)
 0.61A 1j36A-3hq2A:
22.9		 1j36A-3hq2A:
24.25
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		6 THR A 382
HIS A 385
GLU A 386
HIS A 391
GLU A 420
TYR A 514
 None
MG  A 560 ( 4.9A)
MG  A 560 (-2.6A)
MG  A 560 (-3.5A)
MG  A 560 ( 3.9A)
None
 0.83A 1j36A-3iukA:
7.8		 1j36A-3iukA:
23.13
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 THR A 371
HIS A 374
GLU A 375
HIS A 378
GLU A 402
 None
 0.53A 1j36A-3kbhA:
41.9		 1j36A-3kbhA:
36.20
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.
3mr1 METHIONINE
AMINOPEPTIDASE

(Rickettsia
prowazekii) 		PF00557
(Peptidase_M24) 		5 HIS A  77
THR A 166
HIS A 168
GLU A 201
TYR A  60
 PO4  A 252 (-4.2A)
None
MN  A 249 ( 3.4A)
MN  A 249 ( 2.7A)
None
 1.27A 1j36A-3mr1A:
undetectable		 1j36A-3mr1A:
16.61
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.
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)
 0.82A 1j36A-3o0yA:
8.3		 1j36A-3o0yA:
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.
3odo RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		5 THR A 427
HIS A 431
GLU A 428
HIS A 471
GLU A 561
 None
 0.87A 1j36A-3odoA:
3.1		 1j36A-3odoA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.49A 1j36A-3p1vA:
undetectable		 1j36A-3p1vA:
20.72
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.
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
 0.83A 1j36A-3s5kA:
undetectable		 1j36A-3s5kA:
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.
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)
 0.40A 1j36A-3sksA:
22.9		 1j36A-3sksA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 THR A  91
HIS A  92
GLU A 258
HIS A 239
GLU A 187
 None
UNX  A 608 ( 3.2A)
None
UNX  A 606 ( 3.6A)
UNX  A 606 ( 2.6A)
 1.25A 1j36A-3t8lA:
undetectable		 1j36A-3t8lA:
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.
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
 0.76A 1j36A-3u24A:
9.4		 1j36A-3u24A:
22.20
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.
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
 0.95A 1j36A-3u24A:
9.4		 1j36A-3u24A:
22.20
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.
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)
 0.70A 1j36A-3u9wA:
4.2		 1j36A-3u9wA:
20.06
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 THR A 173
HIS A 176
GLU A 177
HIS A 180
TYR A 216
 None
ZN  A 500 (-3.2A)
ZN  A 500 ( 4.2A)
ZN  A 500 (-3.3A)
None
 0.56A 1j36A-3vi1A:
3.2		 1j36A-3vi1A:
21.51
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 HIS A 230
GLU A 231
HIS A 234
GLU A 268
TYR A 373
 ZN  A1440 (-3.3A)
ZN  A1440 ( 4.5A)
ZN  A1440 (-3.3A)
ZN  A1440 (-2.1A)
None
 0.85A 1j36A-3zuqA:
5.2		 1j36A-3zuqA:
20.13
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		6 THR A 220
HIS A 223
GLU A 224
HIS A 227
GLU A 262
TYR A 366
 None
ZN  A1916 (-3.3A)
ZN  A1916 ( 4.3A)
ZN  A1916 (-3.3A)
ZN  A1916 (-2.0A)
None
 0.82A 1j36A-3zusA:
3.9		 1j36A-3zusA:
20.72
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.
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
 0.67A 1j36A-4ar9A:
3.6		 1j36A-4ar9A:
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 HIS A 523
GLU A 524
HIS A 527
GLU A 555
TYR A 607
 ZN  A1790 (-3.3A)
ZN  A1790 (-3.7A)
ZN  A1790 (-3.3A)
ZN  A1790 (-2.5A)
None
 0.97A 1j36A-4areA:
undetectable		 1j36A-4areA:
23.08
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.
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)
 0.66A 1j36A-4fgmA:
5.5		 1j36A-4fgmA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 1j36A-4fysA:
3.8		 1j36A-4fysA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.69A 1j36A-4gaaA:
3.3		 1j36A-4gaaA:
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		5 THR A 149
HIS A 152
GLU A 153
HIS A 156
TYR A 211
 None
CD  A 701 (-3.7A)
CD  A 701 (-3.5A)
CD  A 701 (-3.7A)
None
 0.41A 1j36A-4gwnA:
3.8		 1j36A-4gwnA:
21.25
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.
4h7l UNCHARACTERIZED
PROTEIN

(Planctopirus
limnophila) 		no annotation 5 THR A  57
HIS A  58
HIS A  60
GLU A  65
TYR A  67
 None
CU  A 201 (-3.4A)
CU  A 201 (-3.4A)
CU  A 201 (-2.4A)
None
 1.43A 1j36A-4h7lA:
undetectable		 1j36A-4h7lA:
14.33
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 THR A 474
HIS A 477
GLU A 478
HIS A 481
GLU A 537
 CIT  A 702 ( 4.0A)
ZN  A 701 ( 3.2A)
CIT  A 702 (-2.4A)
ZN  A 701 ( 3.4A)
ZN  A 701 ( 2.2A)
 0.38A 1j36A-4iuwA:
3.3		 1j36A-4iuwA:
23.35
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.
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
 0.70A 1j36A-4j1lA:
undetectable		 1j36A-4j1lA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.71A 1j36A-4j3bA:
6.8		 1j36A-4j3bA:
21.51
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		7 GLN A 653
THR A 568
HIS A 571
GLU A 572
HIS A 575
HIS A 703
TYR A 713
 None
None
ZN  A 801 (-3.3A)
ZN  A 801 ( 4.6A)
ZN  A 801 (-3.3A)
None
None
 1.24A 1j36A-4ka8A:
20.8		 1j36A-4ka8A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 THR A 568
HIS A 571
GLU A 572
HIS A 575
GLU A 601
HIS A 703
TYR A 713
TYR A 716
 None
ZN  A 801 (-3.3A)
ZN  A 801 ( 4.6A)
ZN  A 801 (-3.3A)
ZN  A 801 (-2.1A)
None
None
None
 0.37A 1j36A-4ka8A:
20.8		 1j36A-4ka8A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.82A 1j36A-4kxbA:
6.8		 1j36A-4kxbA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 1j36A-4pj6A:
5.4		 1j36A-4pj6A:
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.
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)
 0.69A 1j36A-4pkvA:
undetectable		 1j36A-4pkvA:
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.
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)
 0.68A 1j36A-4qmeA:
6.6		 1j36A-4qmeA:
22.73
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.
4rt5 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Planctopirus
limnophila) 		PF00903
(Glyoxalase) 		5 HIS A  18
THR A  90
HIS A  86
HIS A  69
TYR A  94
 NI  A 201 ( 3.4A)
None
TRS  A 202 (-3.4A)
NI  A 201 ( 3.2A)
TRS  A 202 (-4.9A)
 1.18A 1j36A-4rt5A:
undetectable		 1j36A-4rt5A:
12.56
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.
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)
 1.18A 1j36A-4wgkA:
undetectable		 1j36A-4wgkA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 THR A 363
HIS A 366
GLU A 367
HIS A 370
GLU A 389
TYR A 452
 None
ZN  A1001 (-3.3A)
ZN  A1001 ( 4.3A)
ZN  A1001 (-3.2A)
ZN  A1001 (-2.4A)
None
 0.76A 1j36A-4wz9A:
4.8		 1j36A-4wz9A:
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.
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)
 0.73A 1j36A-4xmvA:
7.3		 1j36A-4xmvA:
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.
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)
 1.44A 1j36A-4zk6A:
undetectable		 1j36A-4zk6A:
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		6 THR A 209
HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 None
ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.04A 1j36A-4zktA:
3.0		 1j36A-4zktA:
18.19
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
THR A 364
HIS A 367
GLU A 368
HIS A 371
GLU A 395
LYS A 495
HIS A 497
VAL A 502
TYR A 504
TYR A 507
 MLT  A1615 (-3.2A)
MLT  A1615 (-3.8A)
None
ZN  A1616 (-3.2A)
MLT  A1615 (-4.3A)
ZN  A1616 (-3.3A)
ZN  A1616 (-2.4A)
MLT  A1615 (-2.7A)
MLT  A1615 (-4.0A)
None
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 0.30A 1j36A-5a2rA:
58.8		 1j36A-5a2rA:
99.00
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
 0.77A 1j36A-5dllA:
5.0		 1j36A-5dllA:
24.58
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.
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
 0.90A 1j36A-5e3xA:
22.7		 1j36A-5e3xA:
23.03
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.
5giv CARBOXYPEPTIDASE 1

(Deinococcus
radiodurans) 		PF02074
(Peptidase_M32) 		5 HIS A 266
GLU A 267
HIS A 270
GLU A 296
TYR A 422
 ZN  A 601 (-3.4A)
ZN  A 601 ( 4.7A)
ZN  A 601 (-3.4A)
ZN  A 601 (-2.5A)
None
 0.95A 1j36A-5givA:
22.5		 1j36A-5givA:
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.
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)
 0.75A 1j36A-5j6sA:
7.3		 1j36A-5j6sA:
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.
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)
 0.47A 1j36A-5kdxA:
undetectable		 1j36A-5kdxA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		8 THR A 460
HIS A 463
GLU A 464
HIS A 467
GLU A 492
HIS A 593
TYR A 603
TYR A 606
 None
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)
 0.46A 1j36A-5l44A:
19.8		 1j36A-5l44A:
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 GLN A 164
THR A 224
HIS A  14
HIS A  16
GLU A  73
 None
None
ZN  A1002 (-3.2A)
ZN  A1002 (-3.3A)
ZN  A1001 ( 2.2A)
 1.35A 1j36A-5lewA:
undetectable		 1j36A-5lewA:
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 THR A  17
HIS A  16
HIS A  14
GLU A  73
TYR A  75
 None
ZN  A1002 (-3.3A)
ZN  A1002 (-3.2A)
ZN  A1001 ( 2.2A)
SO4  A1004 (-4.9A)
 1.42A 1j36A-5lewA:
undetectable		 1j36A-5lewA:
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.
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
 0.62A 1j36A-5o7eA:
undetectable		 1j36A-5o7eA:
9.64
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.
5vn5 2,2',3-TRIHYDROXY-3'
-METHOXY-5,5'-DICARB
OXYBIPHENYL
META-CLEAVAGE
COMPOUND HYDROLASE

(Sphingobium sp.
SYK-6) 		PF04909
(Amidohydro_2) 		5 HIS A   8
THR A 181
GLU A 198
HIS A   6
VAL A 258
 ZN  A 400 (-3.2A)
None
None
ZN  A 400 (-3.3A)
None
 1.13A 1j36A-5vn5A:
undetectable		 1j36A-5vn5A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xey PHLORETIN HYDROLASE

(Mycobacteroides
abscessus) 		no annotation 5 HIS A 133
GLU A 164
HIS A 269
GLU A 273
HIS A 217
 None
 1.44A 1j36A-5xeyA:
undetectable		 1j36A-5xeyA:
7.99
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.
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)
 0.78A 1j36A-6bv2A:
6.8		 1j36A-6bv2A:
8.81
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.
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
 0.86A 1j36A-6bvdA:
undetectable		 1j36A-6bvdA:
8.68
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 5 THR A 376
HIS A 379
GLU A 380
HIS A 383
GLU A 412
 None
ZN  A 601 (-3.2A)
None
ZN  A 601 (-3.2A)
ZN  A 601 (-1.6A)
 0.48A 1j36A-6eomA:
2.2		 1j36A-6eomA:
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.
6f4e CATALYTIC DOMAIN OF
BOTULINUM NEUROTOXIN
X

(Clostridium
botulinum) 		no annotation 6 THR A 224
HIS A 227
GLU A 228
HIS A 231
GLU A 266
TYR A 363
 None
 0.95A 1j36A-6f4eA:
2.4		 1j36A-6f4eA:
9.88
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.
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)
 0.82A 1j36A-6fpcA:
3.6		 1j36A-6fpcA:
9.33
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		4 ARG A 251
ALA A 121
SER A 117
TYR A  67
 None
 1.30A 1j36A-1qfxA:
0.0		 1j36A-1qfxA:
20.44
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.
3en8 UNCHARACTERIZED
NTF-2 LIKE PROTEIN

(Paraburkholderia
xenovorans) 		PF12680
(SnoaL_2) 		4 ARG A  54
ALA A  18
SER A  17
TYR A  80
 None
 1.15A 1j36A-3en8A:
0.0		 1j36A-3en8A:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ucx SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 ARG A 224
ALA A 218
SER A 220
TYR A 213
 None
None
None
1PE  A 262 ( 3.9A)
 1.11A 1j36A-3ucxA:
0.0		 1j36A-3ucxA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kmo PUTATIVE VACUOLAR
PROTEIN
SORTING-ASSOCIATED
PROTEIN

(Chaetomium
thermophilum) 		PF04840
(Vps16_C) 		4 ARG B 596
ALA B 623
SER B 624
TYR B 613
 None
 1.44A 1j36A-4kmoB:
0.9		 1j36A-4kmoB:
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.
4w68 SINGLE DOMAIN
ANTIBODY

(Lama glama) 		no annotation 4 ARG B  31
ALA B  24
SER B  25
TYR B 118
 None
 1.46A 1j36A-4w68B:
0.0		 1j36A-4w68B:
11.30
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.
5kyv LUCIFERIN
4-MONOOXYGENASE

(Photinus
pyralis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ARG A 337
ALA A 285
SER A 284
TYR A 255
 None
None
TLA  A 602 ( 4.8A)
None
 1.42A 1j36A-5kyvA:
0.0		 1j36A-5kyvA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		4 ARG A 812
ALA A  55
SER A  83
TYR A 687
 None
 1.32A 1j36A-5lq3A:
0.0		 1j36A-5lq3A:
19.62
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 ARG B 311
ALA B 606
SER B 603
TYR B 616
 GOL  B 704 (-3.0A)
None
None
None
 1.49A 1j36A-5swiB:
0.0		 1j36A-5swiB:
20.43