SIMILAR PATTERNS OF AMINO ACIDS FOR 2C6N_A_LPRA705

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.
1bqb PROTEIN (AUREOLYSIN)

(Staphylococcus
aureus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 115
HIS A 144
GLU A 145
HIS A 148
GLU A 168
 None
ZN  A 350 (-3.3A)
ZN  A 350 ( 4.6A)
ZN  A 350 (-3.3A)
ZN  A 350 (-2.2A)
 0.49A 2c6nA-1bqbA:
6.6		 2c6nA-1bqbA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eb6 NEUTRAL PROTEASE II

(Aspergillus
oryzae) 		PF02102
(Peptidase_M35) 		5 ALA A  91
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
 0.40A 2c6nA-1eb6A:
3.5		 2c6nA-1eb6A:
14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 2c6nA-1f82A:
2.6		 2c6nA-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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		8 ALA 1 424
HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
HIS 1 601
TYR 1 611
TYR 1 614
 GLY  1 703 (-4.8A)
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 2c6nA-1y791:
19.8		 2c6nA-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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 ALA A 110
HIS A  81
HIS A  77
GLU A 177
TYR A 854
 None
ZN  A 996 (-3.2A)
ZN  A 996 (-3.4A)
ZN  A 996 (-2.2A)
None
 0.49A 2c6nA-2fgeA:
undetectable		 2c6nA-2fgeA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.27A 2c6nA-2h1nA:
24.8		 2c6nA-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)
 0.41A 2c6nA-2h1nA:
24.8		 2c6nA-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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 ALA A 425
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)
 0.55A 2c6nA-2o36A:
16.3		 2c6nA-2o36A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		5 ALA A 425
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
 1.24A 2c6nA-2o36A:
16.3		 2c6nA-2o36A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		6 ALA A 426
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
 1.02A 2c6nA-2o3eA:
18.4		 2c6nA-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.
2qn0 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 229
GLU A 230
HIS A 233
GLU A 269
TYR A 375
 ZN  A 431 (-3.3A)
ZN  A 431 ( 4.0A)
ZN  A 431 (-3.3A)
ZN  A 431 (-2.1A)
None
 0.96A 2c6nA-2qn0A:
2.8		 2c6nA-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
 0.88A 2c6nA-2xpzA:
5.8		 2c6nA-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) 		11 GLN A 281
HIS A 353
ALA A 354
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)
3ES  A1635 (-4.2A)
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)
 0.33A 2c6nA-2xy9A:
53.0		 2c6nA-2xy9A:
55.13
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) 		6 HIS A 353
GLN A 369
LYS A 511
HIS A 513
TYR A 520
TYR A 523
 3ES  A1635 (-3.8A)
None
3ES  A1635 (-2.6A)
3ES  A1635 (-3.9A)
3ES  A1635 (-4.7A)
3ES  A1635 (-3.4A)
 1.25A 2c6nA-2xy9A:
53.0		 2c6nA-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
ALA A 332
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 (-4.3A)
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)
 0.34A 2c6nA-2xydA:
56.9		 2c6nA-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) 		11 GLN A 259
HIS A 331
GLN A 355
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)
None
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)
 0.49A 2c6nA-2xydA:
56.9		 2c6nA-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
ALA A 332
HIS A 365
GLU A 362
GLU A 389
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
3ES  A1611 (-4.3A)
ZN  A1620 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.46A 2c6nA-2xydA:
56.9		 2c6nA-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) 		6 HIS A 331
GLN A 347
HIS A 365
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
None
ZN  A1620 ( 3.2A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.37A 2c6nA-2xydA:
56.9		 2c6nA-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) 		6 HIS A 331
GLN A 347
LYS A 489
HIS A 491
TYR A 498
TYR A 501
 3ES  A1611 (-3.8A)
None
3ES  A1611 (-2.6A)
3ES  A1611 (-3.9A)
3ES  A1611 (-4.7A)
3ES  A1611 (-3.5A)
 1.26A 2c6nA-2xydA:
56.9		 2c6nA-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) 		6 ALA A 318
HIS A 353
GLU A 354
HIS A 357
GLU A 376
TYR A 438
 BES  A1950 (-4.9A)
ZN  A1946 ( 3.3A)
BES  A1950 (-3.3A)
BES  A1950 ( 3.3A)
ZN  A1946 ( 2.1A)
BES  A1950 (-4.3A)
 0.72A 2c6nA-2yd0A:
6.6		 2c6nA-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)
 1.24A 2c6nA-3ahmA:
25.1		 2c6nA-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)
 0.36A 2c6nA-3ahmA:
25.1		 2c6nA-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.
3amj ZINC PEPTIDASE
ACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		no annotation 5 ALA C 108
HIS C  81
GLU C  80
HIS C  77
GLU C 157
 None
ZN  C   1 (-3.4A)
ZN  C   1 ( 4.4A)
ZN  C   1 (-3.2A)
ZN  C   1 (-1.9A)
 0.68A 2c6nA-3amjC:
undetectable		 2c6nA-3amjC:
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		5 ALA A  78
HIS A 208
GLU A 107
HIS A 106
GLU A 162
 None
ZN  A 301 (-3.1A)
None
ZN  A 301 (-3.2A)
ZN  A 301 (-2.2A)
 1.20A 2c6nA-3c37A:
undetectable		 2c6nA-3c37A:
17.66
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.
3ce2 PUTATIVE PEPTIDASE

(Chlamydia
abortus) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		5 ALA A 372
HIS A 400
GLU A 401
HIS A 404
GLU A 428
 None
ZN  A 703 (-3.3A)
ZN  A 703 ( 4.7A)
ZN  A 703 (-3.4A)
ZN  A 703 (-2.9A)
 0.65A 2c6nA-3ce2A:
16.8		 2c6nA-3ce2A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 2c6nA-3ciaA:
4.1		 2c6nA-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.
3dbk ELASTASE

(Pseudomonas
aeruginosa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 113
HIS A 140
GLU A 141
HIS A 144
GLU A 164
 RDF  A2001 (-4.3A)
ZN  A 302 ( 3.2A)
RDF  A2001 (-2.7A)
ZN  A 302 ( 3.2A)
ZN  A 302 ( 2.2A)
 0.30A 2c6nA-3dbkA:
6.8		 2c6nA-3dbkA:
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 HIS A 236
GLN A 263
HIS A 205
HIS A 180
TYR A 152
 ZN  A 501 (-3.4A)
None
None
ZN  A 501 (-3.1A)
None
 1.33A 2c6nA-3dc8A:
undetectable		 2c6nA-3dc8A:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ALA A 567
HIS A 607
GLU A 608
HIS A 611
GLU A 667
 RDF  A 817 (-4.4A)
ZN  A 771 ( 3.4A)
RDF  A 817 (-2.4A)
ZN  A 771 ( 3.3A)
ZN  A 771 ( 2.1A)
 0.38A 2c6nA-3dwbA:
4.3		 2c6nA-3dwbA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eoq PUTATIVE ZINC
PROTEASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A  77
HIS A  50
GLU A  49
HIS A  46
GLU A 125
 None
 0.68A 2c6nA-3eoqA:
2.5		 2c6nA-3eoqA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.87A 2c6nA-3fiiA:
3.1		 2c6nA-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.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A  77
HIS A  50
GLU A  49
HIS A  46
GLU A 126
 None
CO  A 500 (-3.4A)
CO  A 500 ( 4.3A)
CO  A 500 (-3.4A)
CO  A 500 (-2.1A)
 0.59A 2c6nA-3hdiA:
undetectable		 2c6nA-3hdiA:
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.
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
 0.93A 2c6nA-3hoaA:
21.0		 2c6nA-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)
 0.60A 2c6nA-3hq2A:
22.6		 2c6nA-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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 ALA A 158
HIS A 129
GLU A 160
HIS A 270
GLU A 274
 None
ZN  A 295 (-3.3A)
ZN  A 295 (-2.9A)
ZN  A 295 (-3.3A)
ZN  A 295 (-2.5A)
 1.15A 2c6nA-3hwpA:
undetectable		 2c6nA-3hwpA:
18.37
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.
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
 0.89A 2c6nA-3iukA:
3.7		 2c6nA-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 ALA A 318
HIS A 345
GLU A 346
HIS A 349
GLU A 369
 None
ZN  A   1 (-3.2A)
ZN  A   1 ( 4.5A)
ZN  A   1 (-3.2A)
ZN  A   1 (-2.3A)
 0.42A 2c6nA-3nqxA:
6.9		 2c6nA-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)
 0.69A 2c6nA-3o0yA:
5.8		 2c6nA-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.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		5 ALA A 254
HIS A  11
GLU A 266
HIS A 218
TYR A  50
 SO4  A 501 ( 4.6A)
ZN  A 500 ( 3.3A)
ZN  A 500 ( 2.1A)
ZN  A 500 ( 3.4A)
None
 1.21A 2c6nA-3oajA:
undetectable		 2c6nA-3oajA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.55A 2c6nA-3p1vA:
undetectable		 2c6nA-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.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 HIS A 555
ALA A 553
GLN A 557
GLU A 761
HIS A 862
 None
 1.28A 2c6nA-3poyA:
undetectable		 2c6nA-3poyA:
20.89
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		6 ALA A 162
HIS A 133
GLU A 132
HIS A 129
GLU A 243
TYR A1049
 None
ZN  A1194 (-4.0A)
ZN  A1194 ( 4.4A)
ZN  A1194 (-4.1A)
ZN  A1194 (-2.0A)
None
 0.79A 2c6nA-3s5kA:
undetectable		 2c6nA-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
 0.80A 2c6nA-3sksA:
23.1		 2c6nA-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)
 0.38A 2c6nA-3sksA:
23.1		 2c6nA-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.
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 2c6nA-3u24A:
4.0		 2c6nA-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
 0.92A 2c6nA-3u24A:
4.0		 2c6nA-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)
 0.63A 2c6nA-3u9wA:
3.2		 2c6nA-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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 ALA A 135
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
 0.44A 2c6nA-3vi1A:
3.1		 2c6nA-3vi1A:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.08A 2c6nA-3wqoA:
undetectable		 2c6nA-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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ALA A 453
HIS A 493
GLU A 494
HIS A 497
GLU A 560
 RDF  A1665 (-4.3A)
ZN  A1664 ( 3.4A)
RDF  A1665 (-2.5A)
ZN  A1664 (-3.1A)
ZN  A1664 ( 2.3A)
 0.37A 2c6nA-3zukA:
4.4		 2c6nA-3zukA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 2c6nA-3zusA:
2.2		 2c6nA-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
 0.59A 2c6nA-4ar9A:
4.4		 2c6nA-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.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 106
HIS A 135
GLU A 136
HIS A 139
GLU A 159
 RDF  A 501 (-4.7A)
ZN  A 401 ( 3.2A)
RDF  A 501 (-2.5A)
ZN  A 401 ( 3.3A)
ZN  A 401 ( 1.9A)
 0.42A 2c6nA-4b52A:
5.4		 2c6nA-4b52A:
18.99
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.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		5 HIS A 311
GLU A 312
HIS A 315
TYR A 326
TYR A 324
 ZN  A 502 ( 3.2A)
2PE  A 504 (-4.1A)
ZN  A 502 (-3.3A)
2PE  A 504 (-4.1A)
2PE  A 504 (-3.8A)
 0.94A 2c6nA-4df9A:
2.8		 2c6nA-4df9A:
21.95
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.
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)
 0.60A 2c6nA-4fgmA:
6.1		 2c6nA-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) 		6 ALA A 353
HIS A 388
GLU A 389
HIS A 392
GLU A 411
TYR A 477
 None
 0.74A 2c6nA-4fysA:
3.8		 2c6nA-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)
 0.62A 2c6nA-4gaaA:
3.3		 2c6nA-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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ALA A 437
HIS A 477
GLU A 478
HIS A 481
GLU A 537
 CIT  A 702 (-4.2A)
ZN  A 701 ( 3.2A)
CIT  A 702 (-2.4A)
ZN  A 701 ( 3.4A)
ZN  A 701 ( 2.2A)
 0.31A 2c6nA-4iuwA:
3.8		 2c6nA-4iuwA:
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.
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
 0.66A 2c6nA-4j1lA:
2.9		 2c6nA-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) 		6 ALA A 461
HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 None
ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.66A 2c6nA-4j3bA:
6.9		 2c6nA-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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		5 ALA A 393
HIS A 429
GLU A 430
HIS A 433
GLU A 459
 MLA  A 704 (-4.4A)
ZN  A 701 (-3.2A)
MLA  A 704 (-3.7A)
ZN  A 701 (-3.2A)
ZN  A 701 (-2.2A)
 0.33A 2c6nA-4k90A:
7.9		 2c6nA-4k90A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		8 ALA A 520
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
 0.33A 2c6nA-4ka8A:
20.6		 2c6nA-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 GLN A 653
ALA A 520
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
 1.17A 2c6nA-4ka8A:
20.6		 2c6nA-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) 		6 ALA A 358
HIS A 393
GLU A 394
HIS A 397
GLU A 416
TYR A 479
 BES  A1017 (-4.6A)
ZN  A1001 ( 3.3A)
BES  A1017 (-3.1A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 2.4A)
BES  A1017 (-4.2A)
 0.75A 2c6nA-4kxbA:
3.9		 2c6nA-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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 ALA D 137
HIS D 108
HIS D 104
GLU D 205
TYR D 906
 None
 0.57A 2c6nA-4ngeD:
undetectable		 2c6nA-4ngeD:
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		5 ALA A 107
HIS A 234
GLU A 134
HIS A 137
GLU A 231
 PEG  A 503 ( 4.1A)
FE  A 502 (-3.5A)
FE  A 501 (-2.5A)
FE  A 501 (-3.2A)
FE  A 502 (-2.3A)
 1.23A 2c6nA-4p1cA:
undetectable		 2c6nA-4p1cA:
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.
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
 0.81A 2c6nA-4pj6A:
5.5		 2c6nA-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)
 0.59A 2c6nA-4pkvA:
3.3		 2c6nA-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.
4qko PYOCIN-S2
PYOCIN-S2 IMMUNITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF01320
(Colicin_Pyocin)
no annotation 		5 GLN B 646
ALA A  37
GLN A  36
HIS A  34
TYR A  55
 None
 1.18A 2c6nA-4qkoB:
undetectable		 2c6nA-4qkoB:
11.44
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		6 ALA A 258
HIS A 293
GLU A 294
HIS A 297
GLU A 316
TYR A 377
 37B  A 901 (-3.8A)
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)
 0.63A 2c6nA-4qmeA:
4.3		 2c6nA-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.
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)
 1.11A 2c6nA-4wgkA:
undetectable		 2c6nA-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) 		6 ALA A 331
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
 0.70A 2c6nA-4wz9A:
5.3		 2c6nA-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.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A  94
HIS A  71
GLU A  70
HIS A  67
GLU A 142
 None
NI  A 502 (-3.4A)
NI  A 502 ( 4.6A)
NI  A 502 (-3.4A)
NI  A 502 (-3.1A)
 0.80A 2c6nA-4xeaA:
undetectable		 2c6nA-4xeaA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		6 ALA A 262
HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 None
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)
 0.67A 2c6nA-4xmvA:
3.1		 2c6nA-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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 HIS A 212
GLU A 213
HIS A 216
GLU A 251
TYR A 351
 ZN  A1301 (-3.7A)
ZN  A1301 (-3.3A)
ZN  A1301 (-3.7A)
ZN  A1301 (-2.3A)
ZN  A1301 (-4.8A)
 0.99A 2c6nA-4zktA:
2.3		 2c6nA-4zktA:
18.18
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ALA A 544
HIS A 584
GLU A 585
HIS A 588
GLU A 647
 RDF  A 802 (-4.1A)
ZN  A 801 ( 3.3A)
RDF  A 802 (-2.7A)
ZN  A 801 ( 3.2A)
ZN  A 801 ( 2.2A)
 0.36A 2c6nA-4zr5A:
4.3		 2c6nA-4zr5A:
22.84
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
ALA A 338
GLN A 361
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)
MLT  A1615 ( 4.9A)
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)
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 0.56A 2c6nA-5a2rA:
49.9		 2c6nA-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) 		8 HIS A 337
ALA A 338
HIS A 371
GLU A 368
GLU A 395
HIS A 497
TYR A 504
TYR A 507
 MLT  A1615 (-3.8A)
MLT  A1615 ( 4.9A)
ZN  A1616 (-3.3A)
MLT  A1615 (-4.3A)
ZN  A1616 (-2.4A)
MLT  A1615 (-4.0A)
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 1.48A 2c6nA-5a2rA:
49.9		 2c6nA-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) 		6 HIS A 337
GLN A 353
HIS A 371
HIS A 497
TYR A 504
TYR A 507
 MLT  A1615 (-3.8A)
None
ZN  A1616 (-3.3A)
MLT  A1615 (-4.0A)
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 1.30A 2c6nA-5a2rA:
49.9		 2c6nA-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) 		6 HIS A 337
GLN A 353
LYS A 495
HIS A 497
TYR A 504
TYR A 507
 MLT  A1615 (-3.8A)
None
MLT  A1615 (-2.7A)
MLT  A1615 (-4.0A)
MLT  A1615 (-4.7A)
MLT  A1615 (-4.0A)
 1.24A 2c6nA-5a2rA:
49.9		 2c6nA-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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 113
HIS A 142
GLU A 143
HIS A 146
GLU A 166
 VAL  A1322 (-4.8A)
ZN  A1317 (-3.2A)
VAL  A1322 (-3.2A)
ZN  A1317 (-3.2A)
ZN  A1317 (-2.3A)
 0.51A 2c6nA-5a3yA:
6.0		 2c6nA-5a3yA:
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A  80
HIS A  52
GLU A  51
HIS A  48
GLU A 129
 None
ZN  A 801 (-3.2A)
None
ZN  A 801 (-3.2A)
ZN  A 801 (-2.6A)
 0.80A 2c6nA-5cioA:
undetectable		 2c6nA-5cioA:
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.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE

(Rhodopseudomonas
palustris) 		PF06130
(PTAC) 		5 ALA A 154
HIS A  48
GLU A 109
HIS A  50
HIS A 159
 None
COA  A 501 ( 3.0A)
ZN  A 503 (-2.3A)
ZN  A 503 ( 3.3A)
ZN  A 502 (-3.4A)
 1.25A 2c6nA-5cuoA:
undetectable		 2c6nA-5cuoA:
15.73
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.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		6 ALA A 271
HIS A 306
GLU A 307
HIS A 310
GLU A 329
TYR A 390
 None
ZN  A 901 (-3.3A)
ZN  A 901 ( 4.2A)
ZN  A 901 (-3.3A)
ZN  A 901 (-1.6A)
None
 0.71A 2c6nA-5dllA:
5.4		 2c6nA-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
 0.98A 2c6nA-5e3xA:
22.0		 2c6nA-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.
5euf PROTEASE

(Helicobacter
pylori) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA A 109
HIS A  82
GLU A  81
HIS A  78
GLU A 158
 None
ZN  A 502 (-4.4A)
ZN  A 502 ( 4.2A)
ZN  A 502 (-3.3A)
ZN  A 502 (-2.6A)
 0.72A 2c6nA-5eufA:
undetectable		 2c6nA-5eufA:
21.78
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A 113
HIS A 142
GLU A 143
HIS A 146
GLU A 166
 VAL  A1318 (-4.6A)
ZN  A1317 (-3.2A)
VAL  A1318 (-3.1A)
ZN  A1317 (-3.3A)
ZN  A1317 (-2.2A)
 0.46A 2c6nA-5fxnA:
6.0		 2c6nA-5fxnA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikn DNA PRIMASE/HELICASE

(Escherichia
virus T7) 		PF03796
(DnaB_C)
PF13155
(Toprim_2) 		5 HIS D 180
ALA D 184
GLU D 159
HIS D 136
TYR D 111
 None
 1.31A 2c6nA-5iknD:
undetectable		 2c6nA-5iknD:
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 ALA A 335
HIS A 370
GLU A 371
HIS A 374
GLU A 393
TYR A 455
 6GA  A1015 (-4.7A)
ZN  A1001 ( 3.2A)
6GA  A1015 (-3.0A)
ZN  A1001 ( 3.2A)
ZN  A1001 ( 1.7A)
6GA  A1015 (-4.0A)
 0.73A 2c6nA-5j6sA:
7.3		 2c6nA-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) 		6 GLN A 683
HIS A 696
GLU A 697
HIS A 700
GLU A 716
TYR A 776
 None
ZN  A1005 ( 3.3A)
ZN  A1005 (-4.1A)
ZN  A1005 (-3.4A)
ZN  A1005 (-2.1A)
TNR  A1002 (-4.6A)
 1.45A 2c6nA-5kdxA:
2.8		 2c6nA-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) 		5 ALA A 418
GLU A 464
HIS A 467
GLU A 492
TYR A 599
 None
K26  A1005 (-2.7A)
ZN  A1001 ( 3.4A)
ZN  A1001 ( 2.2A)
None
 1.27A 2c6nA-5l44A:
19.6		 2c6nA-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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		8 ALA A 418
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)
 0.40A 2c6nA-5l44A:
19.6		 2c6nA-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
 0.56A 2c6nA-5o7eA:
4.5		 2c6nA-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 6 HIS A 217
GLN A 271
HIS A 269
GLU A 273
HIS A 133
GLU A 164
 None
 1.27A 2c6nA-5xeyA:
undetectable		 2c6nA-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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 5 ALA A 114
HIS A  84
GLU A  83
HIS A  80
GLU A 165
 None
None
HG  A1004 ( 4.5A)
HG  A1004 (-3.4A)
HG  A1004 (-2.8A)
 0.78A 2c6nA-6brsA:
undetectable		 2c6nA-6brsA:
10.28
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 6 ALA A 348
HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 SO4  A1027 (-4.3A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.71A 2c6nA-6bv2A:
4.7		 2c6nA-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
 0.82A 2c6nA-6bvdA:
2.6		 2c6nA-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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 5 ALA A 319
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)
 0.78A 2c6nA-6eomA:
2.0		 2c6nA-6eomA:
8.74
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.
6f4e CATALYTIC DOMAIN OF
BOTULINUM NEUROTOXIN
X

(Clostridium
botulinum) 		no annotation 5 HIS A 227
GLU A 228
HIS A 231
GLU A 266
TYR A 363
 None
 0.90A 2c6nA-6f4eA:
3.0		 2c6nA-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)
 0.75A 2c6nA-6fpcA:
4.1		 2c6nA-6fpcA:
9.36