SIMILAR PATTERNS OF AMINO ACIDS FOR 2C6N_B_LPRB705

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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		5 GLU A 286
HIS A  97
LYS A 132
HIS A 129
THR A 125
 None
None
None
None
PLP  A1000 ( 4.5A)
 1.30A 2c6nB-1c7gA:
undetectable		 2c6nB-1c7gA:
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.
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
 0.96A 2c6nB-1f82A:
undetectable		 2c6nB-1f82A:
20.29
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.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A  66
HIS A 111
GLU A 455
THR A 239
TYR A 116
 CU  A 703 (-3.0A)
CU  A 702 (-3.2A)
None
None
None
 1.41A 2c6nB-1hfuA:
undetectable		 2c6nB-1hfuA:
21.33
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.
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 2c6nB-1l1eA:
undetectable		 2c6nB-1l1eA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.17A 2c6nB-1q2lA:
undetectable		 2c6nB-1q2lA:
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.
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)
 0.38A 2c6nB-1y791:
19.8		 2c6nB-1y791:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		6 GLN A 477
HIS A 356
GLU A 357
HIS A 360
GLU A 384
TYR A 490
 None
ZN  A 601 (-3.3A)
ZN  A 601 ( 4.9A)
ZN  A 601 (-3.3A)
ZN  A 601 (-2.2A)
UNL  A 605 ( 4.5A)
 1.29A 2c6nB-2h1nA:
24.7		 2c6nB-2h1nA:
23.61
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.
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)
 0.45A 2c6nB-2h1nA:
24.7		 2c6nB-2h1nA:
23.61
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.
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
 1.14A 2c6nB-2o3eA:
18.8		 2c6nB-2o3eA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 HIS A  26
HIS A  88
GLU A  85
HIS A  83
HIS A 175
 None
FE  A 501 (-3.1A)
FE  A 502 ( 2.9A)
None
None
 1.43A 2c6nB-2ohhA:
undetectable		 2c6nB-2ohhA:
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.
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
 1.03A 2c6nB-2qn0A:
undetectable		 2c6nB-2qn0A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.41A 2c6nB-2qn0A:
undetectable		 2c6nB-2qn0A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 2c6nB-2xpzA:
7.0		 2c6nB-2xpzA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		10 GLN A 281
HIS A 353
HIS A 383
GLU A 384
HIS A 387
GLU A 411
LYS A 511
HIS A 513
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  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 0.29A 2c6nB-2xy9A:
53.2		 2c6nB-2xy9A:
55.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		11 GLN A 259
HIS A 331
HIS A 361
GLU A 362
HIS A 365
GLU A 389
LYS A 489
HIS A 491
THR A 496
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 (-3.4A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 0.36A 2c6nB-2xydA:
56.3		 2c6nB-2xydA:
98.85
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
HIS A 365
GLU A 362
GLU A 389
HIS A 491
THR A 496
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.9A)
3ES  A1611 (-3.4A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.46A 2c6nB-2xydA:
56.3		 2c6nB-2xydA:
98.85
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.
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)
 0.80A 2c6nB-2yd0A:
3.9		 2c6nB-2yd0A:
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.
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)
 1.27A 2c6nB-3ahmA:
24.8		 2c6nB-3ahmA:
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.
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)
 0.41A 2c6nB-3ahmA:
24.8		 2c6nB-3ahmA:
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.
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
 0.88A 2c6nB-3ciaA:
6.4		 2c6nB-3ciaA:
22.91
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 HIS A 265
GLU A 266
HIS A 269
GLU A 296
TYR A 421
 CO  A 999 (-3.3A)
CO  A 999 ( 4.6A)
CO  A 999 (-3.5A)
CO  A 999 (-2.6A)
SO4  A 609 (-4.7A)
 0.99A 2c6nB-3dwcA:
20.1		 2c6nB-3dwcA:
22.64
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.
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)
 0.95A 2c6nB-3fiiA:
undetectable		 2c6nB-3fiiA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 2c6nB-3hoaA:
21.1		 2c6nB-3hoaA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.63A 2c6nB-3hq2A:
22.6		 2c6nB-3hq2A:
23.53
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.
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
 0.94A 2c6nB-3iukA:
6.6		 2c6nB-3iukA:
22.72
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 HIS A 345
GLU A 346
HIS A 349
GLU A 369
TYR A 429
 ZN  A   1 (-3.2A)
ZN  A   1 ( 4.5A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
None
 1.10A 2c6nB-3nqxA:
6.3		 2c6nB-3nqxA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.77A 2c6nB-3o0yA:
7.4		 2c6nB-3o0yA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.59A 2c6nB-3p1vA:
undetectable		 2c6nB-3p1vA:
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.
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
 0.91A 2c6nB-3s5kA:
undetectable		 2c6nB-3s5kA:
17.18
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 5 HIS A 356
GLU A 357
HIS A 360
GLU A 384
TYR A 487
 ZN  A 568 ( 3.3A)
PO4  A 566 (-3.2A)
ZN  A 568 ( 3.3A)
ZN  A 568 ( 2.0A)
None
 0.82A 2c6nB-3sksA:
23.0		 2c6nB-3sksA:
22.17
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.
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)
 0.52A 2c6nB-3sksA:
23.0		 2c6nB-3sksA:
22.17
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 310
GLU A 335
GLU A 260
HIS A 210
TYR A 172
 None
 1.30A 2c6nB-3t4wA:
undetectable		 2c6nB-3t4wA:
21.85
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.
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 2c6nB-3u24A:
8.6		 2c6nB-3u24A:
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.
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
 0.91A 2c6nB-3u24A:
8.6		 2c6nB-3u24A:
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.
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)
 0.67A 2c6nB-3u9wA:
4.7		 2c6nB-3u9wA:
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.
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)
 1.03A 2c6nB-3wqoA:
undetectable		 2c6nB-3wqoA:
17.03
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.
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
 0.90A 2c6nB-3zuqA:
undetectable		 2c6nB-3zuqA:
18.64
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.
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
 0.86A 2c6nB-3zusA:
undetectable		 2c6nB-3zusA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.66A 2c6nB-4ar9A:
4.2		 2c6nB-4ar9A:
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.
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
 1.04A 2c6nB-4areA:
undetectable		 2c6nB-4areA:
22.85
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.
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)
 0.67A 2c6nB-4fgmA:
4.0		 2c6nB-4fgmA:
22.25
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.
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
 0.83A 2c6nB-4fysA:
2.9		 2c6nB-4fysA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.72A 2c6nB-4gaaA:
3.4		 2c6nB-4gaaA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7l UNCHARACTERIZED
PROTEIN

(Planctopirus
limnophila) 		no annotation 6 HIS A  60
GLU A 122
HIS A  58
GLU A  65
HIS A  47
THR A  49
 CU  A 201 (-3.4A)
None
CU  A 201 (-3.4A)
CU  A 201 (-2.4A)
None
None
 1.43A 2c6nB-4h7lA:
undetectable		 2c6nB-4h7lA:
14.84
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.
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
 0.72A 2c6nB-4j1lA:
undetectable		 2c6nB-4j1lA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.70A 2c6nB-4j3bA:
7.4		 2c6nB-4j3bA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 2c6nB-4ka8A:
20.6		 2c6nB-4ka8A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.42A 2c6nB-4ka8A:
20.6		 2c6nB-4ka8A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2c6nB-4kxbA:
undetectable		 2c6nB-4kxbA:
21.57
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.
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
 0.87A 2c6nB-4pj6A:
5.8		 2c6nB-4pj6A:
23.01
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.
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 2c6nB-4pkvA:
undetectable		 2c6nB-4pkvA:
22.57
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.
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)
 0.69A 2c6nB-4qmeA:
undetectable		 2c6nB-4qmeA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uxa CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		5 HIS A  94
HIS A 110
HIS A  40
HIS A  53
THR A  50
 MN  A 200 (-3.6A)
None
None
MN  A 200 (-3.6A)
None
 1.33A 2c6nB-4uxaA:
undetectable		 2c6nB-4uxaA:
12.97
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.
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)
 1.21A 2c6nB-4wgkA:
undetectable		 2c6nB-4wgkA:
22.19
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.
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
 0.77A 2c6nB-4wz9A:
3.9		 2c6nB-4wz9A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.74A 2c6nB-4xmvA:
undetectable		 2c6nB-4xmvA:
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.
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)
 1.46A 2c6nB-4zk6A:
undetectable		 2c6nB-4zk6A:
19.52
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 1.06A 2c6nB-4zktA:
undetectable		 2c6nB-4zktA:
18.18
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) 		10 GLN A 265
HIS A 337
HIS A 367
GLU A 368
HIS A 371
GLU A 395
LYS A 495
HIS A 497
TYR A 504
TYR A 507
 MLT  A1615 (-3.2A)
MLT  A1615 (-3.8A)
ZN  A1616 (-3.2A)
MLT  A1615 (-4.3A)
ZN  A1616 (-3.3A)
ZN  A1616 (-2.4A)
MLT  A1615 (-2.7A)
MLT  A1615 (-4.0A)
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 0.36A 2c6nB-5a2rA:
50.1		 2c6nB-5a2rA:
40.90
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) 		5 HIS A 497
HIS A 371
GLU A 395
GLU A 368
HIS A 337
 MLT  A1615 (-4.0A)
ZN  A1616 (-3.3A)
ZN  A1616 (-2.4A)
MLT  A1615 (-4.3A)
MLT  A1615 (-3.8A)
 1.35A 2c6nB-5a2rA:
50.1		 2c6nB-5a2rA:
40.90
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.
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
 0.82A 2c6nB-5dllA:
undetectable		 2c6nB-5dllA:
20.88
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.
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
 1.00A 2c6nB-5e3xA:
22.1		 2c6nB-5e3xA:
21.85
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.
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
 1.04A 2c6nB-5givA:
22.0		 2c6nB-5givA:
21.97
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.
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)
 0.82A 2c6nB-5j6sA:
undetectable		 2c6nB-5j6sA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.56A 2c6nB-5kdxA:
undetectable		 2c6nB-5kdxA:
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		7 HIS A 463
GLU A 464
HIS A 467
GLU A 492
HIS A 593
TYR A 603
TYR A 606
 ZN  A1001 ( 3.3A)
K26  A1005 (-2.7A)
ZN  A1001 ( 3.4A)
ZN  A1001 ( 2.2A)
K26  A1005 ( 3.3A)
SO4  A1004 (-4.8A)
SO4  A1004 ( 3.7A)
 0.44A 2c6nB-5l44A:
17.9		 2c6nB-5l44A:
25.03
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.
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
 0.64A 2c6nB-5o7eA:
4.2		 2c6nB-5o7eA:
8.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xey PHLORETIN HYDROLASE

(Mycobacteroides
abscessus) 		no annotation 5 HIS A 217
HIS A 269
GLU A 273
HIS A 133
GLU A 164
 None
 1.21A 2c6nB-5xeyA:
undetectable		 2c6nB-5xeyA:
10.50
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.
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)
 0.74A 2c6nB-6bv2A:
5.4		 2c6nB-6bv2A:
9.53
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.
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
 0.90A 2c6nB-6bvdA:
undetectable		 2c6nB-6bvdA:
9.42
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.
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
 1.00A 2c6nB-6f4eA:
undetectable		 2c6nB-6f4eA:
9.48
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.
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)
 0.84A 2c6nB-6fpcA:
undetectable		 2c6nB-6fpcA:
9.36
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.
1aw9 GLUTATHIONE
S-TRANSFERASE III

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 ALA A 170
THR A  20
PHE A 107
 None
 0.78A 2c6nB-1aw9A:
0.0		 2c6nB-1aw9A:
20.04
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		3 ALA A 154
THR A  64
PHE A  41
 None
 0.64A 2c6nB-1cnsA:
0.0		 2c6nB-1cnsA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dxj CLASS II CHITINASE

(Canavalia
ensiformis) 		PF00182
(Glyco_hydro_19) 		3 ALA A 153
THR A  65
PHE A  42
 None
 0.67A 2c6nB-1dxjA:
0.0		 2c6nB-1dxjA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gdh D-GLYCERATE
DEHYDROGENASE

(Hyphomicrobium
methylovorum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ALA A 161
THR A 102
PHE A 155
 None
SO4  A 322 (-3.7A)
None
 0.78A 2c6nB-1gdhA:
0.0		 2c6nB-1gdhA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00977
(His_biosynth) 		3 ALA F 201
THR F 188
PHE F 211
 None
 0.77A 2c6nB-1ka9F:
0.0		 2c6nB-1ka9F:
17.18
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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		3 ALA A 653
THR A 553
PHE A 671
 None
 0.65A 2c6nB-1n7rA:
0.3		 2c6nB-1n7rA:
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.
1ohf NUDAURELIA CAPENSIS
OMEGA VIRUS CAPSID
PROTEIN

(Nudaurelia
capensis omega
virus) 		PF03566
(Peptidase_A21) 		3 ALA A 163
THR A 522
PHE A 165
 None
 0.70A 2c6nB-1ohfA:
0.0		 2c6nB-1ohfA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r47 ALPHA-GALACTOSIDASE
A

(Homo sapiens) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		3 ALA A 156
THR A 194
PHE A 169
 None
 0.71A 2c6nB-1r47A:
0.0		 2c6nB-1r47A:
21.99
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.
1uan HYPOTHETICAL PROTEIN
TT1542

(Thermus
thermophilus) 		PF02585
(PIG-L) 		3 ALA A  25
THR A  32
PHE A 162
 None
 0.74A 2c6nB-1uanA:
undetectable		 2c6nB-1uanA:
16.67
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		3 ALA A 327
THR A 246
PHE A 184
 None
 0.76A 2c6nB-1ulqA:
undetectable		 2c6nB-1ulqA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		3 ALA A  21
THR A 296
PHE A  38
 None
 0.78A 2c6nB-1v5bA:
undetectable		 2c6nB-1v5bA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Thermus
thermophilus) 		PF02219
(MTHFR) 		3 ALA A 279
THR A 212
PHE A 271
 None
None
DIO  A 301 (-4.9A)
 0.79A 2c6nB-1v93A:
undetectable		 2c6nB-1v93A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		3 ALA A 120
THR A 251
PHE A 133
 None
 0.67A 2c6nB-1vefA:
undetectable		 2c6nB-1vefA:
21.57
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.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Pyrococcus
furiosus) 		PF00290
(Trp_syntA) 		3 ALA A  27
THR A 235
PHE A  75
 None
 0.71A 2c6nB-1wdwA:
undetectable		 2c6nB-1wdwA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		3 ALA A 282
THR A 261
PHE A 305
 None
 0.66A 2c6nB-1wyeA:
undetectable		 2c6nB-1wyeA:
18.70
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		3 ALA A 277
THR A 406
PHE A 284
 None
 0.77A 2c6nB-1xr4A:
undetectable		 2c6nB-1xr4A:
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.
1y7e PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Borreliella
burgdorferi) 		PF02127
(Peptidase_M18) 		3 ALA A 448
THR A 262
PHE A 443
 None
 0.76A 2c6nB-1y7eA:
undetectable		 2c6nB-1y7eA:
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.
1ykg SULFITE REDUCTASE
[NADPH] FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		3 ALA A 127
THR A 115
PHE A 102
 None
 0.75A 2c6nB-1ykgA:
undetectable		 2c6nB-1ykgA:
15.68
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.
1z9f SINGLE-STRAND
BINDING PROTEIN

(Thermotoga
maritima) 		PF00436
(SSB) 		3 ALA A  65
THR A  57
PHE A 106
 None
 0.63A 2c6nB-1z9fA:
undetectable		 2c6nB-1z9fA:
12.25
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.
2cas CANINE PARVOVIRUS
EMPTY CAPSID (STRAIN
D) VIRAL PROTEIN 2

(Carnivore
protoparvovirus
1) 		PF00740
(Parvo_coat) 		3 ALA A 188
THR A 206
PHE A 185
 None
 0.74A 2c6nB-2casA:
undetectable		 2c6nB-2casA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cqy PROPIONYL-COA
CARBOXYLASE ALPHA
CHAIN, MITOCHONDRIAL

(Homo sapiens) 		PF02786
(CPSase_L_D2) 		3 ALA A  37
THR A  70
PHE A  27
 None
 0.69A 2c6nB-2cqyA:
undetectable		 2c6nB-2cqyA:
11.04
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		3 ALA B 211
THR B 202
PHE B 142
 None
 0.79A 2c6nB-2f9yB:
undetectable		 2c6nB-2f9yB:
18.73
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 ALA A 366
THR A 358
PHE A 351
 None
 0.61A 2c6nB-2fafA:
undetectable		 2c6nB-2fafA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hay PUTATIVE
NAD(P)H-FLAVIN
OXIDOREDUCTASE

(Streptococcus
pyogenes) 		PF00881
(Nitroreductase) 		3 ALA A  38
THR A 155
PHE A  53
 None
 0.77A 2c6nB-2hayA:
undetectable		 2c6nB-2hayA:
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.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		3 ALA A 164
THR A 153
PHE A 132
 None
 0.71A 2c6nB-2hrzA:
undetectable		 2c6nB-2hrzA:
20.29
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.
2j3r ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		3 ALA B 140
THR B 168
PHE B  33
 NO3  B1177 (-3.1A)
NO3  B1177 ( 3.7A)
None
 0.78A 2c6nB-2j3rB:
undetectable		 2c6nB-2j3rB:
14.56
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		3 ALA A  23
THR A 292
PHE A 246
 FAD  A1489 (-3.2A)
FAD  A1489 ( 4.7A)
None
 0.79A 2c6nB-2jb1A:
undetectable		 2c6nB-2jb1A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		3 ALA A 251
THR A 508
PHE A 264
 None
 0.71A 2c6nB-2nyfA:
0.0		 2c6nB-2nyfA:
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.
2or2 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Bacillus
thuringiensis) 		PF00388
(PI-PLC-X) 		3 ALA A  63
THR A  31
PHE A 101
 None
 0.60A 2c6nB-2or2A:
undetectable		 2c6nB-2or2A:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		3 ALA A 115
THR A 252
PHE A 147
 None
 0.68A 2c6nB-2pb0A:
undetectable		 2c6nB-2pb0A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		3 ALA A 184
THR A 175
PHE A 211
 None
 0.61A 2c6nB-2pcqA:
undetectable		 2c6nB-2pcqA:
20.50
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		3 ALA A 284
THR A 263
PHE A 307
 None
 0.72A 2c6nB-2varA:
undetectable		 2c6nB-2varA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		3 ALA A 722
THR A 772
PHE A 704
 None
 0.75A 2c6nB-2vcaA:
0.1		 2c6nB-2vcaA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		3 ALA A 190
THR A 259
PHE A 227
 None
 0.72A 2c6nB-2vn7A:
undetectable		 2c6nB-2vn7A:
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		3 ALA A 322
THR A 283
PHE A 335
 None
 0.70A 2c6nB-2wpgA:
undetectable		 2c6nB-2wpgA:
23.28
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 ALA A 324
THR A 329
PHE A 345
 None
 0.78A 2c6nB-2x50A:
undetectable		 2c6nB-2x50A:
22.53
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 ALA A 332
THR A 358
PHE A 490
 3ES  A1611 (-4.3A)
3ES  A1611 (-3.6A)
3ES  A1611 (-4.7A)
 0.24A 2c6nB-2xydA:
56.3		 2c6nB-2xydA:
98.85
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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		3 ALA A 113
THR A  79
PHE A 109
 None
 0.76A 2c6nB-2ylnA:
undetectable		 2c6nB-2ylnA:
18.54
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.
2z37 CHITINASE

(Brassica juncea) 		PF00182
(Glyco_hydro_19) 		3 ALA A 300
THR A 209
PHE A 186
 None
 0.60A 2c6nB-2z37A:
undetectable		 2c6nB-2z37A:
16.17
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 ALA A 332
THR A 324
PHE A 317
 None
 0.61A 2c6nB-2zciA:
undetectable		 2c6nB-2zciA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		3 ALA A 462
THR A  48
PHE A 487
 None
 0.73A 2c6nB-3a21A:
undetectable		 2c6nB-3a21A:
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.
3a74 LYSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		3 ALA A 413
THR A 284
PHE A 406
 None
 0.78A 2c6nB-3a74A:
undetectable		 2c6nB-3a74A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		3 ALA A 222
THR B   7
PHE A 198
 None
 0.57A 2c6nB-3ab4A:
undetectable		 2c6nB-3ab4A:
21.75
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.
3cql ENDOCHITINASE

(Carica papaya) 		PF00182
(Glyco_hydro_19) 		3 ALA A 154
THR A  64
PHE A  41
 None
 0.58A 2c6nB-3cqlA:
undetectable		 2c6nB-3cqlA:
16.75
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		3 ALA A 321
THR A 282
PHE A 334
 None
 0.71A 2c6nB-3czeA:
undetectable		 2c6nB-3czeA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		3 ALA A 682
THR A 711
PHE A 761
 None
 0.72A 2c6nB-3egiA:
undetectable		 2c6nB-3egiA:
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		3 ALA A 682
THR A 711
PHE A 761
 None
 0.63A 2c6nB-3gdhA:
undetectable		 2c6nB-3gdhA:
16.83
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.
3hym CELL DIVISION CYCLE
PROTEIN 16 HOMOLOG

(Homo sapiens) 		PF13424
(TPR_12) 		3 ALA B 412
THR B 420
PHE B 391
 None
 0.63A 2c6nB-3hymB:
undetectable		 2c6nB-3hymB:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipi GERANYLTRANSTRANSFER
ASE

(Methanosarcina
mazei) 		PF00348
(polyprenyl_synt) 		3 ALA A  75
THR A 189
PHE A 140
 None
 0.78A 2c6nB-3ipiA:
1.4		 2c6nB-3ipiA:
19.37
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.
3iwr CHITINASE

(Oryza sativa) 		PF00182
(Glyco_hydro_19) 		3 ALA A 241
THR A 151
PHE A 128
 None
 0.56A 2c6nB-3iwrA:
undetectable		 2c6nB-3iwrA:
19.59
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		3 ALA A 306
THR A 261
PHE A 210
 None
 0.50A 2c6nB-3jzdA:
undetectable		 2c6nB-3jzdA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7q PUTATIVE TRANSLATION
INITIATION
INHIBITOR, ALDR
REGULATOR-LIKE
PROTEIN

(Streptococcus
mutans) 		PF01042
(Ribonuc_L-PSP) 		3 ALA A 122
THR A  66
PHE A  27
 None
 0.78A 2c6nB-3l7qA:
undetectable		 2c6nB-3l7qA:
11.46
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.
3lr1 TUNGSTATE ABC
TRANSPORTER,
PERIPLASMIC
TUNGSTATE-BINDING
PROTEIN

(Geobacter
sulfurreducens) 		PF12849
(PBP_like_2) 		3 ALA A  43
THR A   9
PHE A  66
 None
W  A 234 ( 4.0A)
None
 0.77A 2c6nB-3lr1A:
undetectable		 2c6nB-3lr1A:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		3 ALA A 120
THR A 278
PHE A 139
 None
 0.50A 2c6nB-3n5mA:
undetectable		 2c6nB-3n5mA:
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		3 ALA A 309
THR A 182
PHE A 301
 None
None
SO4  A   1 ( 4.9A)
 0.79A 2c6nB-3nuuA:
undetectable		 2c6nB-3nuuA:
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.
3nx3 ACETYLORNITHINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00202
(Aminotran_3) 		3 ALA A 109
THR A 245
PHE A 127
 None
 0.59A 2c6nB-3nx3A:
undetectable		 2c6nB-3nx3A:
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.
3p91 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Entamoeba
histolytica) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		3 ALA A 216
THR A 149
PHE A 248
 None
 0.74A 2c6nB-3p91A:
undetectable		 2c6nB-3p91A:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		3 ALA A  56
THR A   2
PHE A  33
 None
 0.66A 2c6nB-3p9nA:
undetectable		 2c6nB-3p9nA:
17.11
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.
3qlt GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 2

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		3 ALA A 295
THR A 101
PHE A   7
 None
 0.58A 2c6nB-3qltA:
undetectable		 2c6nB-3qltA:
21.85
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.
3tcq MATRIX PROTEIN VP40

(Sudan
ebolavirus) 		PF07447
(VP40) 		3 ALA A  70
THR A 190
PHE A  73
 None
 0.60A 2c6nB-3tcqA:
undetectable		 2c6nB-3tcqA:
19.58
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.
3tqu NON-CANONICAL PURINE
NTP PYROPHOSPHATASE

(Coxiella
burnetii) 		PF01725
(Ham1p_like) 		3 ALA A  65
THR A  61
PHE A  28
 None
 0.77A 2c6nB-3tquA:
undetectable		 2c6nB-3tquA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		3 ALA A  25
THR A 305
PHE A  42
 None
 0.74A 2c6nB-3ty4A:
undetectable		 2c6nB-3ty4A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		3 ALA A 153
THR A  65
PHE A  42
 None
 0.55A 2c6nB-3w3eA:
undetectable		 2c6nB-3w3eA:
17.86
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.
3zuc CELLULOSOMAL
SCAFFOLDIN

(Acetivibrio
cellulolyticus) 		PF00942
(CBM_3) 		3 ALA A 130
THR A 134
PHE A 126
 None
 0.72A 2c6nB-3zucA:
undetectable		 2c6nB-3zucA:
14.73
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		3 ALA A 497
THR A 564
PHE A 525
 None
 0.68A 2c6nB-4a5aA:
undetectable		 2c6nB-4a5aA:
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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		3 ALA A 112
THR A 249
PHE A 144
 None
 0.67A 2c6nB-4adeA:
undetectable		 2c6nB-4adeA:
20.42
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.
4bvt CYANURIC ACID
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF09663
(Amido_AtzD_TrzD) 		3 ALA A  55
THR A  41
PHE A  80
 None
 0.66A 2c6nB-4bvtA:
undetectable		 2c6nB-4bvtA:
19.84
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.
4e5k PHOSPHITE
DEHYDROGENASE
(THERMOSTABLE
VARIANT)

(Pseudomonas
stutzeri) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ALA A 159
THR A 101
PHE A 150
 None
NAD  A 401 ( 4.8A)
None
 0.63A 2c6nB-4e5kA:
undetectable		 2c6nB-4e5kA:
20.29
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		3 ALA B1497
THR B1511
PHE B1759
 None
 0.78A 2c6nB-4f92B:
undetectable		 2c6nB-4f92B:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		3 ALA A 155
THR A 140
PHE A 215
 None
 0.72A 2c6nB-4issA:
undetectable		 2c6nB-4issA:
22.17
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.
4iu2 CELL-WALL ANCHORING
PROTEIN
CELLULOSE-BINDING
PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		3 ALA A  67
THR B 137
PHE A 160
 None
 0.63A 2c6nB-4iu2A:
undetectable		 2c6nB-4iu2A:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		3 ALA A 219
THR A 366
PHE A 222
 A  R   7 ( 3.6A)
A  R   7 ( 3.5A)
None
 0.67A 2c6nB-4krfA:
undetectable		 2c6nB-4krfA:
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.
4ld8 MATRIX PROTEIN VP40

(Sudan
ebolavirus) 		PF07447
(VP40) 		3 ALA A  70
THR A 190
PHE A  73
 None
 0.58A 2c6nB-4ld8A:
undetectable		 2c6nB-4ld8A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		3 ALA B 493
THR B 525
PHE B 582
 None
 0.75A 2c6nB-4ni2B:
undetectable		 2c6nB-4ni2B:
16.49
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 ALA A 347
THR A 339
PHE A 332
 None
 0.59A 2c6nB-4ox2A:
undetectable		 2c6nB-4ox2A:
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.
4qlz SJCHGC07024 PROTEIN

(Schistosoma
japonicum) 		PF00719
(Pyrophosphatase) 		3 ALA A 259
THR A 243
PHE A  16
 None
 0.76A 2c6nB-4qlzA:
undetectable		 2c6nB-4qlzA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qo1 NB139 NANOBODY
AGAINST THE
DNA-BINDING DOMAIN
OF P53

(Lama glama) 		PF07686
(V-set) 		3 ALA A  50
THR A  69
PHE A  38
 None
 0.70A 2c6nB-4qo1A:
undetectable		 2c6nB-4qo1A:
14.04
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.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		3 ALA A 198
THR A 109
PHE A  86
 None
 0.64A 2c6nB-4tx7A:
undetectable		 2c6nB-4tx7A:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj0 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pyrococcus
horikoshii) 		PF01867
(Cas_Cas1) 		3 ALA A 302
THR A 204
PHE A 231
 None
 0.71A 2c6nB-4wj0A:
undetectable		 2c6nB-4wj0A:
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.
4yx7 OXYGEN-REGULATED
INVASION PROTEIN
ORGB,ENDOLYSIN

(Escherichia
virus T4;
Salmonella
enterica) 		PF00959
(Phage_lysozyme) 		3 ALA C 193
THR C 184
PHE C  32
 None
 0.78A 2c6nB-4yx7C:
undetectable		 2c6nB-4yx7C:
16.91
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.
4z81 EGF FAMILY
DOMAIN-CONTAINING
PROTEIN

(Toxoplasma
gondii) 		PF02430
(AMA-1)
PF07974
(EGF_2) 		3 ALA A 366
THR A 361
PHE A 351
 None
 0.79A 2c6nB-4z81A:
undetectable		 2c6nB-4z81A:
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.
5afo FIMBRIAE

(Escherichia
coli) 		PF00419
(Fimbrial) 		3 ALA A 250
THR A 305
PHE A 349
 None
 0.57A 2c6nB-5afoA:
undetectable		 2c6nB-5afoA:
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.
5aov GLYOXYLATE REDUCTASE

(Pyrococcus
furiosus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ALA A 164
THR A 101
PHE A 158
 1PE  A1346 ( 4.7A)
1PE  A1346 ( 4.7A)
None
 0.76A 2c6nB-5aovA:
undetectable		 2c6nB-5aovA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bu6 BPSB (PGAB),
POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Bordetella
bronchiseptica) 		PF01522
(Polysacc_deac_1) 		3 ALA A 174
THR A 241
PHE A 124
 None
 0.72A 2c6nB-5bu6A:
undetectable		 2c6nB-5bu6A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d1r RV1816
TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		3 ALA A  97
THR A  86
PHE A 142
 None
None
56S  A 305 (-4.1A)
 0.53A 2c6nB-5d1rA:
undetectable		 2c6nB-5d1rA:
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		3 ALA A 150
THR A 126
PHE A 226
 None
 0.73A 2c6nB-5dqpA:
undetectable		 2c6nB-5dqpA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eks 3-DEHYDROQUINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF01761
(DHQ_synthase) 		3 ALA A 275
THR A 292
PHE A 248
 None
 0.54A 2c6nB-5eksA:
undetectable		 2c6nB-5eksA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO

(Homo sapiens) 		PF12933
(FTO_NTD)
PF12934
(FTO_CTD) 		3 ALA A  68
THR A 138
PHE A 317
 None
 0.73A 2c6nB-5f8pA:
undetectable		 2c6nB-5f8pA:
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ALA A  71
THR A 700
PHE A  83
 None
 0.68A 2c6nB-5fp1A:
undetectable		 2c6nB-5fp1A:
23.61
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 ALA A 155
THR A 140
PHE A 215
 None
 0.70A 2c6nB-5i8iA:
undetectable		 2c6nB-5i8iA:
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.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		3 ALA A 165
THR A 108
PHE A 149
 None
 0.76A 2c6nB-5j6bA:
undetectable		 2c6nB-5j6bA:
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		3 ALA A 165
THR A 108
PHE A 149
 None
 0.79A 2c6nB-5jryA:
undetectable		 2c6nB-5jryA:
21.98
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.
5ofk GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		3 ALA A  21
THR A 295
PHE A  73
 None
 0.77A 2c6nB-5ofkA:
undetectable		 2c6nB-5ofkA:
18.17
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.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Escherichia
virus T4;
Mycobacterium
kansasii) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		3 ALA A1160
THR A1151
PHE A 999
 None
 0.76A 2c6nB-5vbaA:
undetectable		 2c6nB-5vbaA:
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.
6bii GLYOXYLATE REDUCTASE

(Pyrococcus
yayanosii) 		no annotation 3 ALA A 164
THR A 101
PHE A 158
 None
 0.65A 2c6nB-6biiA:
undetectable		 2c6nB-6biiA:
8.66
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.
6ces RAS-RELATED
GTP-BINDING PROTEIN
A

(Homo sapiens) 		no annotation 3 ALA A 172
THR A 162
PHE A 123
 None
 0.73A 2c6nB-6cesA:
undetectable		 2c6nB-6cesA:
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 3 ALA A 224
THR A 291
PHE A 261
 None
 0.76A 2c6nB-6fhvA:
undetectable		 2c6nB-6fhvA:
10.66
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 3 ALA A 127
THR A 144
PHE A  96
 None
 0.72A 2c6nB-6fikA:
undetectable		 2c6nB-6fikA:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 3 ALA A 454
THR A 838
PHE A 451
 None
 0.69A 2c6nB-6fikA:
undetectable		 2c6nB-6fikA:
10.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g5i RNA-BINDING PROTEIN
PNO1

(Homo sapiens) 		no annotation 3 ALA x 221
THR x 200
PHE x 163
 None
 0.77A 2c6nB-6g5ix:
undetectable		 2c6nB-6g5ix:
9.36