SIMILAR PATTERNS OF AMINO ACIDS FOR 4R7L_A_SHHA709_1

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.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		5 GLN B 147
ALA B 148
HIS B 291
GLU B 214
TYR B 177
 None
None
TAR  B 900 (-4.7A)
None
TAR  B 900 (-4.6A)
 1.47A 4r7lA-1ccwB:
undetectable		 4r7lA-1ccwB:
21.01
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.
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
 0.45A 4r7lA-1f82A:
3.4		 4r7lA-1f82A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus) 		PF02074
(Peptidase_M32) 		5 HIS A 269
GLU A 270
HIS A 273
GLU A 299
LEU A 167
 None
 1.31A 4r7lA-1k9xA:
6.4		 4r7lA-1k9xA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ALA A 153
HIS A  49
GLU A 225
HIS A 197
GLU A 115
 None
None
None
FE  A 401 (-3.5A)
FE  A 401 (-2.6A)
 1.15A 4r7lA-1o12A:
undetectable		 4r7lA-1o12A:
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.
1rh9 ENDO-BETA-MANNANASE

(Solanum
lycopersicum) 		PF00150
(Cellulase) 		5 ALA A  89
HIS A 277
GLU A 318
GLU A 200
LEU A 179
 None
 1.37A 4r7lA-1rh9A:
undetectable		 4r7lA-1rh9A:
20.31
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.
1rhc F420-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Methanoculleus
thermophilus) 		PF00296
(Bac_luciferase) 		5 ALA A 194
HIS A  39
GLU A  12
PHE A 255
GLU A 108
 None
ACN  A 352 ( 4.0A)
ACN  A 352 ( 4.4A)
F42  A 351 (-4.9A)
ACN  A 352 ( 2.9A)
 1.27A 4r7lA-1rhcA:
undetectable		 4r7lA-1rhcA:
19.78
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		5 HIS 1 469
GLU 1 470
HIS 1 473
GLU 1 498
TYR 1 614
 ZN  1 700 (-3.2A)
TRP  1 702 ( 2.6A)
ZN  1 700 ( 3.3A)
ZN  1 700 ( 2.2A)
ASP  1 704 (-3.5A)
 0.51A 4r7lA-1y791:
6.9		 4r7lA-1y791:
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 102
HIS A 265
GLU A 266
HIS A 269
GLU A 288
 None
ZN  A 800 (-3.3A)
ZN  A 800 (-3.4A)
ZN  A 800 (-3.2A)
ZN  A 800 (-2.8A)
 0.80A 4r7lA-1z1wA:
41.6		 4r7lA-1z1wA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 102
HIS A 265
GLU A 266
HIS A 269
TRP A 281
 None
ZN  A 800 (-3.3A)
ZN  A 800 (-3.4A)
ZN  A 800 (-3.2A)
None
 0.66A 4r7lA-1z1wA:
41.6		 4r7lA-1z1wA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 229
GLU A 230
HIS A 233
GLU A 269
TYR A 375
 ZN  A 500 (-3.1A)
ZN  A 500 ( 4.2A)
ZN  A 500 (-3.3A)
ZN  A 500 (-1.8A)
None
 0.45A 4r7lA-2fpqA:
2.1		 4r7lA-2fpqA:
23.44
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		5 HIS A 356
GLU A 357
HIS A 360
GLU A 384
TYR A 490
 ZN  A 601 (-3.3A)
ZN  A 601 ( 4.9A)
ZN  A 601 (-3.3A)
ZN  A 601 (-2.2A)
UNL  A 605 ( 4.5A)
 0.57A 4r7lA-2h1nA:
7.0		 4r7lA-2h1nA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 4r7lA-2o3eA:
5.9		 4r7lA-2o3eA:
23.57
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.
2p0n HYPOTHETICAL PROTEIN
NMB1532

(Neisseria
meningitidis) 		PF01814
(Hemerythrin) 		5 ALA A  62
HIS A 136
GLU A 140
HIS A  96
TYR A 133
 BME  A 601 (-3.3A)
MN  A 605 ( 3.4A)
MN  A 605 (-2.4A)
MN  A 605 (-3.4A)
None
 1.46A 4r7lA-2p0nA:
undetectable		 4r7lA-2p0nA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.45A 4r7lA-2qn0A:
3.0		 4r7lA-2qn0A:
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.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		5 ALA A 159
HIS A 122
GLU A 123
HIS A 127
GLU A 167
 None
 0.89A 4r7lA-2v28A:
undetectable		 4r7lA-2v28A:
19.61
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 ALA A 178
HIS A  63
GLU A 251
HIS A 223
GLU A 136
 None
FE  A1397 (-3.3A)
None
FE  A1398 (-3.3A)
FE  A1397 ( 2.6A)
 1.08A 4r7lA-2vhlA:
undetectable		 4r7lA-2vhlA:
20.21
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 ALA A 517
HIS A 428
HIS A 456
GLU A 401
LEU A 359
 None
ZN  A1567 (-3.4A)
ZN  A1567 (-3.6A)
ZN  A1567 ( 2.4A)
None
 1.18A 4r7lA-2w9mA:
undetectable		 4r7lA-2w9mA:
23.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		8 ALA A 187
HIS A 340
GLU A 341
HIS A 344
TRP A 356
PHE A 359
GLU A 363
TYR A 429
 None
ZN  A1673 (-3.3A)
None
ZN  A1673 (-3.5A)
None
None
ZN  A1673 (-2.2A)
None
 0.65A 4r7lA-2xpzA:
51.2		 4r7lA-2xpzA:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		7 ALA A 187
HIS A 340
HIS A 344
TRP A 356
PHE A 359
LEU A 414
TYR A 429
 None
ZN  A1673 (-3.3A)
ZN  A1673 (-3.5A)
None
None
None
None
 0.60A 4r7lA-2xpzA:
51.2		 4r7lA-2xpzA:
40.39
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 HIS A 383
GLU A 384
HIS A 387
GLU A 411
TYR A 523
 ZN  A1628 ( 3.2A)
3ES  A1635 (-2.8A)
ZN  A1628 ( 3.2A)
ZN  A1628 ( 2.4A)
3ES  A1635 (-3.4A)
 0.74A 4r7lA-2xy9A:
5.5		 4r7lA-2xy9A:
24.10
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 HIS A 361
GLU A 362
HIS A 365
GLU A 389
TYR A 501
 3ES  A1611 ( 3.2A)
3ES  A1611 (-2.5A)
ZN  A1620 ( 3.2A)
ZN  A1620 ( 2.4A)
3ES  A1611 (-3.5A)
 0.66A 4r7lA-2xydA:
5.3		 4r7lA-2xydA:
21.88
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		7 HIS A 353
GLU A 354
HIS A 357
TRP A 369
PHE A 433
GLU A 376
TYR A 438
 ZN  A1946 ( 3.3A)
BES  A1950 (-3.3A)
BES  A1950 ( 3.3A)
None
BES  A1950 ( 4.3A)
ZN  A1946 ( 2.1A)
BES  A1950 (-4.3A)
 1.31A 4r7lA-2yd0A:
43.9		 4r7lA-2yd0A:
21.96
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 HIS A 356
GLU A 357
HIS A 360
GLU A 384
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 (-3.6A)
 0.57A 4r7lA-3ahmA:
6.9		 4r7lA-3ahmA:
22.11
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.
3apm PROTEIN-ARGININE
DEIMINASE TYPE-4

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 GLN A 215
ALA A 216
HIS A 236
PHE A 249
LEU A 182
 None
 1.36A 4r7lA-3apmA:
undetectable		 4r7lA-3apmA:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 ALA A 471
HIS A 344
HIS A 374
GLU A 413
LEU A 454
 None
None
None
ZN  A 579 (-2.2A)
None
 1.08A 4r7lA-3auoA:
2.1		 4r7lA-3auoA:
23.22
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 ALA A 530
HIS A 440
HIS A 468
GLU A 413
LEU A 369
 None
ZN  A 579 (-4.1A)
ZN  A 579 (-3.4A)
ZN  A 579 (-2.2A)
None
 1.22A 4r7lA-3auoA:
2.1		 4r7lA-3auoA:
23.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		9 GLN A 170
ALA A 171
HIS A 324
GLU A 325
HIS A 328
TRP A 340
GLU A 347
LEU A 396
TYR A 410
 None
None
ZN  A 701 (-4.1A)
ZN  A 701 ( 4.6A)
ZN  A 701 (-3.8A)
None
ZN  A 701 (-3.4A)
None
None
 0.58A 4r7lA-3ciaA:
53.1		 4r7lA-3ciaA:
37.65
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.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 ALA A 123
HIS A 231
HIS A 248
GLU A 174
LEU A 160
 NAD  A 400 ( 4.6A)
None
ZN  A 344 (-2.9A)
None
None
 1.35A 4r7lA-3clhA:
undetectable		 4r7lA-3clhA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 HIS A 223
GLU A 224
HIS A 227
GLU A 262
TYR A 366
 ZN  A 501 (-3.2A)
ZN  A 501 ( 4.4A)
ZN  A 501 (-3.3A)
ZN  A 501 (-1.9A)
None
 0.54A 4r7lA-3dseA:
3.7		 4r7lA-3dseA:
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		5 HIS A 265
GLU A 266
HIS A 269
GLU A 296
TYR A 417
 CO  A 999 (-3.3A)
CO  A 999 ( 4.6A)
CO  A 999 (-3.5A)
CO  A 999 (-2.6A)
None
 1.39A 4r7lA-3dwcA:
6.9		 4r7lA-3dwcA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		5 GLU A 464
HIS A 434
GLU A 501
LEU A 413
TYR A 512
 None
 1.46A 4r7lA-3f41A:
undetectable		 4r7lA-3f41A:
23.55
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.
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)
 0.48A 4r7lA-3fiiA:
3.5		 4r7lA-3fiiA:
21.29
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 TYR A 343
HIS A 218
GLU A 222
HIS A 248
TYR A 190
 FMT  A 483 (-4.4A)
ZN  A 484 ( 3.0A)
None
ZN  A 484 (-3.3A)
ACY  A 481 (-4.6A)
 1.44A 4r7lA-3gipA:
undetectable		 4r7lA-3gipA:
18.93
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		5 ALA A  79
HIS A 260
GLU A 258
LEU A 419
TYR A 181
 None
 1.45A 4r7lA-3gycA:
undetectable		 4r7lA-3gycA:
20.34
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.
3hf8 TRYPTOPHAN
5-HYDROXYLASE 1

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 TYR A 235
HIS A 272
GLU A 273
HIS A 277
GLU A 317
 ML0  A 401 (-3.9A)
FE  A 400 ( 3.3A)
FE  A 400 ( 4.6A)
FE  A 400 (-3.2A)
FE  A 400 ( 1.9A)
 1.27A 4r7lA-3hf8A:
undetectable		 4r7lA-3hf8A:
18.44
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		5 GLU A 266
HIS A 265
GLU A 295
TYR A 416
TYR A 420
 PO4  A 503 (-3.0A)
ZN  A 502 ( 3.4A)
ZN  A 502 ( 2.2A)
None
PO4  A 503 (-4.2A)
 1.38A 4r7lA-3hq2A:
5.8		 4r7lA-3hq2A:
23.26
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		5 HIS A 265
GLU A 266
GLU A 295
TYR A 416
TYR A 420
 ZN  A 502 ( 3.4A)
PO4  A 503 (-3.0A)
ZN  A 502 ( 2.2A)
None
PO4  A 503 (-4.2A)
 0.96A 4r7lA-3hq2A:
5.8		 4r7lA-3hq2A:
23.26
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		5 HIS A 265
GLU A 266
HIS A 269
GLU A 295
TYR A 420
 ZN  A 502 ( 3.4A)
PO4  A 503 (-3.0A)
ZN  A 502 ( 3.3A)
ZN  A 502 ( 2.2A)
PO4  A 503 (-4.2A)
 0.72A 4r7lA-3hq2A:
5.8		 4r7lA-3hq2A:
23.26
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 HIS A 129
GLU A 160
HIS A 270
PHE A 275
GLU A 274
 ZN  A 295 (-3.3A)
ZN  A 295 (-2.9A)
ZN  A 295 (-3.3A)
None
ZN  A 295 (-2.5A)
 1.08A 4r7lA-3hwpA:
undetectable		 4r7lA-3hwpA:
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.
3l23 SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		5 TYR A 155
HIS A 110
GLU A  78
HIS A 273
TYR A 243
 None
None
None
MG  A   1 (-3.3A)
None
 1.23A 4r7lA-3l23A:
undetectable		 4r7lA-3l23A:
18.90
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.
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)
 0.48A 4r7lA-3o0yA:
5.5		 4r7lA-3o0yA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		5 HIS A  23
GLU A 251
HIS A 229
GLU A 166
LEU A 135
 ZN  A 367 ( 3.2A)
None
ZN  A 368 (-3.2A)
ZN  A 368 (-2.5A)
None
 1.06A 4r7lA-3rhgA:
undetectable		 4r7lA-3rhgA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 HIS A 133
GLU A 132
HIS A 129
GLU A 243
TYR A1049
 ZN  A1194 (-4.0A)
ZN  A1194 ( 4.4A)
ZN  A1194 (-4.1A)
ZN  A1194 (-2.0A)
None
 0.85A 4r7lA-3s5kA:
undetectable		 4r7lA-3s5kA:
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.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 TYR A 163
HIS A 133
GLU A 132
HIS A 129
GLU A 243
 None
ZN  A1194 (-4.0A)
ZN  A1194 ( 4.4A)
ZN  A1194 (-4.1A)
ZN  A1194 (-2.0A)
 1.39A 4r7lA-3s5kA:
undetectable		 4r7lA-3s5kA:
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.
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)
 0.74A 4r7lA-3sksA:
7.0		 4r7lA-3sksA:
22.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		12 GLN A1136
ALA A1137
TYR A1267
HIS A1295
GLU A1296
HIS A1299
TRP A1311
PHE A1314
GLU A1318
LEU A1369
TYR A1378
TYR A1383
 28P  A7001 (-3.7A)
28P  A7001 ( 3.8A)
28P  A7001 (-3.6A)
ZN  A2001 ( 3.2A)
28P  A7001 (-2.6A)
ZN  A2001 ( 3.2A)
28P  A7001 (-4.8A)
28P  A7001 (-3.5A)
ZN  A2001 ( 2.2A)
28P  A7001 ( 4.9A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
 0.35A 4r7lA-3u9wA:
64.7		 4r7lA-3u9wA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 TYR A1267
GLU A1271
GLU A1318
TYR A1378
TYR A1383
 28P  A7001 (-3.6A)
28P  A7001 (-3.6A)
ZN  A2001 ( 2.2A)
28P  A7001 (-4.3A)
28P  A7001 (-4.6A)
 1.33A 4r7lA-3u9wA:
64.7		 4r7lA-3u9wA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vyl L-RIBULOSE
3-EPIMERASE

(Mesorhizobium
loti) 		PF01261
(AP_endonuc_2) 		5 HIS A 178
GLU A 147
HIS A 206
GLU A  36
LEU A  24
 None
MN  A1001 (-2.5A)
MN  A1001 (-3.2A)
None
None
 1.43A 4r7lA-3vylA:
undetectable		 4r7lA-3vylA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxr PROTEASOME SUBUNIT
BETA TYPE-4

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 GLN K  85
PHE K  82
GLU K  86
LEU K  74
TYR K  58
 None
 1.44A 4r7lA-3wxrK:
undetectable		 4r7lA-3wxrK:
17.13
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.
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
 0.53A 4r7lA-4ar9A:
6.6		 4r7lA-4ar9A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		5 ALA A 144
HIS A 122
GLU A 123
HIS A 127
PHE A 162
 None
 1.19A 4r7lA-4bptA:
undetectable		 4r7lA-4bptA:
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		5 HIS A 122
GLU A 123
HIS A 127
PHE A 162
GLU A 167
 None
None
None
None
PEG  A1261 (-3.1A)
 1.18A 4r7lA-4bptA:
undetectable		 4r7lA-4bptA:
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		5 GLU A 274
HIS A 277
GLU A 307
TYR A 363
TYR A 377
 MAE  A 601 ( 3.5A)
ZN  A 602 ( 3.2A)
ZN  A 602 ( 2.3A)
None
MAE  A 601 (-4.7A)
 0.86A 4r7lA-4fgmA:
18.2		 4r7lA-4fgmA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.36A 4r7lA-4fgmA:
18.2		 4r7lA-4fgmA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		8 GLN A 213
ALA A 214
HIS A 388
GLU A 389
HIS A 392
TRP A 404
GLU A 411
TYR A 477
 None
 0.46A 4r7lA-4fysA:
24.5		 4r7lA-4fysA:
21.72
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		7 GLN A 213
GLU A 389
HIS A 392
TRP A 404
PHE A 472
GLU A 411
TYR A 477
 None
 1.28A 4r7lA-4fysA:
24.5		 4r7lA-4fysA:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		11 GLN A 133
ALA A 134
TYR A 264
HIS A 292
GLU A 293
HIS A 296
TRP A 308
PHE A 311
GLU A 315
LEU A 366
TYR A 380
 BES  A 702 (-3.2A)
BES  A 702 ( 4.4A)
BES  A 702 (-3.3A)
ZN  A 701 ( 3.2A)
BES  A 702 (-2.6A)
ZN  A 701 ( 3.4A)
None
BES  A 702 ( 4.9A)
ZN  A 701 ( 1.7A)
None
BES  A 702 (-4.3A)
 0.47A 4r7lA-4gaaA:
56.3		 4r7lA-4gaaA:
65.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ib2 PUTATIVE LIPOPROTEIN

([Ruminococcus]
gnavus) 		PF03180
(Lipoprotein_9) 		5 ALA A 230
HIS A  48
HIS A 115
GLU A 117
LEU A 153
 None
MET  A 305 (-4.6A)
None
MET  A 305 (-2.6A)
None
 1.33A 4r7lA-4ib2A:
undetectable		 4r7lA-4ib2A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j1l TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27) 		5 HIS A 233
GLU A 234
HIS A 237
GLU A 271
TYR A 375
 ZN  A 501 (-3.5A)
ZN  A 501 ( 4.1A)
ZN  A 501 (-3.3A)
ZN  A 501 (-1.9A)
None
 0.54A 4r7lA-4j1lA:
3.2		 4r7lA-4j1lA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		7 ALA A 320
HIS A 496
GLU A 497
HIS A 500
TRP A 512
GLU A 519
TYR A 580
 None
ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
None
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.32A 4r7lA-4j3bA:
22.1		 4r7lA-4j3bA:
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		5 HIS A 571
GLU A 572
HIS A 575
GLU A 601
TYR A 716
 ZN  A 801 (-3.3A)
ZN  A 801 ( 4.6A)
ZN  A 801 (-3.3A)
ZN  A 801 (-2.1A)
None
 0.60A 4r7lA-4ka8A:
7.0		 4r7lA-4ka8A:
23.12
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLU A 394
HIS A 397
TRP A 409
PHE A 474
GLU A 416
 BES  A1017 (-3.1A)
ZN  A1001 ( 3.2A)
None
BES  A1017 (-3.7A)
ZN  A1001 ( 2.4A)
 1.41A 4r7lA-4kxbA:
40.5		 4r7lA-4kxbA:
22.21
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 HIS A 393
GLU A 394
HIS A 397
TRP A 409
GLU A 416
TYR A 479
 ZN  A1001 ( 3.3A)
BES  A1017 (-3.1A)
ZN  A1001 ( 3.2A)
None
ZN  A1001 ( 2.4A)
BES  A1017 (-4.2A)
 0.41A 4r7lA-4kxbA:
40.5		 4r7lA-4kxbA:
22.21
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.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 HIS A 464
GLU A 465
HIS A 468
TRP A 480
GLU A 487
TYR A 549
 ZN  A1101 ( 3.2A)
LYS  A1102 (-3.4A)
ZN  A1101 (-3.2A)
None
ZN  A1101 ( 1.9A)
None
 0.79A 4r7lA-4pj6A:
42.6		 4r7lA-4pj6A:
24.20
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.
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)
 0.40A 4r7lA-4pkvA:
2.8		 4r7lA-4pkvA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 372
 37B  A 901 ( 3.2A)
37B  A 901 (-2.6A)
ZN  A 908 ( 3.2A)
ZN  A 908 ( 2.0A)
37B  A 901 (-3.5A)
 1.26A 4r7lA-4qmeA:
22.4		 4r7lA-4qmeA:
24.38
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		6 HIS A 293
GLU A 294
HIS A 297
TRP A 309
GLU A 316
TYR A 377
 37B  A 901 ( 3.2A)
37B  A 901 (-2.6A)
ZN  A 908 ( 3.2A)
None
ZN  A 908 ( 2.0A)
GOL  A 910 ( 2.6A)
 0.35A 4r7lA-4qmeA:
22.4		 4r7lA-4qmeA:
24.38
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A  96
TYR A 406
PHE A 159
LEU A 111
TYR A 224
 None
 1.36A 4r7lA-4um8A:
undetectable		 4r7lA-4um8A:
22.82
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.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 ALA A 355
HIS A 318
GLU A 319
HIS A 323
GLU A 363
 None
FE  A1491 ( 3.5A)
IMD  A 600 (-3.3A)
FE  A1491 ( 3.3A)
FE  A1491 ( 2.0A)
 0.91A 4r7lA-4v06A:
undetectable		 4r7lA-4v06A:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		7 HIS A 366
GLU A 367
HIS A 370
TRP A 382
PHE A 447
GLU A 389
TYR A 452
 ZN  A1001 (-3.3A)
ZN  A1001 ( 4.3A)
ZN  A1001 (-3.2A)
None
None
ZN  A1001 (-2.4A)
None
 1.20A 4r7lA-4wz9A:
27.6		 4r7lA-4wz9A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		7 ALA A 122
HIS A 297
GLU A 298
HIS A 301
TRP A 313
GLU A 320
TYR A 381
 None
ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
None
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.34A 4r7lA-4xmvA:
40.0		 4r7lA-4xmvA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 376
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
ARG  A 902 ( 3.8A)
 1.28A 4r7lA-4xmvA:
40.0		 4r7lA-4xmvA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 511
GLU A 285
HIS A 426
GLU A 311
LEU A 382
 None
 1.45A 4r7lA-4ynuA:
undetectable		 4r7lA-4ynuA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 511
HIS A 426
GLU A 285
GLU A 311
LEU A 382
 None
 1.49A 4r7lA-4ynuA:
undetectable		 4r7lA-4ynuA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.53A 4r7lA-4zktA:
3.6		 4r7lA-4zktA:
20.21
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.
4zpi PUTATIVE
OXIDASE/HYDROXYLASE

(Streptomyces
hygroscopicus) 		PF05721
(PhyH) 		5 ALA A 138
HIS A 102
HIS A 206
LEU A  85
TYR A  89
 None
FE2  A 301 (-3.5A)
FE2  A 301 (-3.6A)
None
None
 1.39A 4r7lA-4zpiA:
undetectable		 4r7lA-4zpiA:
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		5 HIS A 367
GLU A 368
HIS A 371
GLU A 395
TYR A 507
 ZN  A1616 (-3.2A)
MLT  A1615 (-4.3A)
ZN  A1616 (-3.3A)
ZN  A1616 (-2.4A)
MLT  A1615 (-4.0A)
 0.65A 4r7lA-5a2rA:
3.7		 4r7lA-5a2rA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d8g TRYPTOPHANASE

(Escherichia
coli) 		PF01212
(Beta_elim_lyase) 		5 ALA A  58
HIS A   6
PHE A  11
GLU A   9
TYR A 333
 None
 1.48A 4r7lA-5d8gA:
undetectable		 4r7lA-5d8gA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		6 ALA A 131
GLU A 307
HIS A 310
TRP A 322
GLU A 329
TYR A 390
 None
ZN  A 901 ( 4.2A)
ZN  A 901 (-3.3A)
None
ZN  A 901 (-1.6A)
None
 0.86A 4r7lA-5dllA:
39.0		 4r7lA-5dllA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		6 ALA A 131
HIS A 306
GLU A 307
HIS A 310
TRP A 322
GLU A 329
 None
ZN  A 901 (-3.3A)
ZN  A 901 ( 4.2A)
ZN  A 901 (-3.3A)
None
ZN  A 901 (-1.6A)
 0.55A 4r7lA-5dllA:
39.0		 4r7lA-5dllA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		5 GLU A 254
HIS A 253
GLU A 283
TYR A 403
TYR A 407
 CO  A 501 ( 4.8A)
CO  A 501 (-3.3A)
CO  A 501 (-2.7A)
None
None
 1.38A 4r7lA-5e3xA:
6.3		 4r7lA-5e3xA:
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.
5fnp IRON-SULFUR CLUSTER
REPAIR PROTEIN YTFE

(Escherichia
coli) 		PF01814
(Hemerythrin)
PF04405
(ScdA_N) 		5 HIS A  84
HIS A 204
PHE A 213
GLU A 208
LEU A 217
 ZN  A1222 ( 3.3A)
ZN  A1222 ( 3.3A)
None
ZN  A1222 (-2.2A)
None
 1.39A 4r7lA-5fnpA:
undetectable		 4r7lA-5fnpA:
16.87
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 GLN A 169
ALA A 213
GLU A  83
LEU A 281
TYR A 192
 None
 1.29A 4r7lA-5g0qA:
undetectable		 4r7lA-5g0qA:
20.21
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		5 HIS A 521
HIS A 443
GLU A 599
LEU A 568
TYR A 588
 MG  A 702 (-3.5A)
MG  A 702 (-3.3A)
MG  A 702 (-2.5A)
None
None
 1.24A 4r7lA-5hmqA:
undetectable		 4r7lA-5hmqA:
23.71
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 HIS A 370
GLU A 371
HIS A 374
TRP A 386
GLU A 393
TYR A 455
 ZN  A1001 ( 3.2A)
6GA  A1015 (-3.0A)
ZN  A1001 ( 3.2A)
None
ZN  A1001 ( 1.7A)
6GA  A1015 (-4.0A)
 0.56A 4r7lA-5j6sA:
41.2		 4r7lA-5j6sA:
22.74
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		6 HIS A 370
GLU A 371
HIS A 374
TRP A 386
PHE A 450
TYR A 455
 ZN  A1001 ( 3.2A)
6GA  A1015 (-3.0A)
ZN  A1001 ( 3.2A)
None
6GA  A1015 (-3.7A)
6GA  A1015 (-4.0A)
 1.31A 4r7lA-5j6sA:
41.2		 4r7lA-5j6sA:
22.74
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.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		5 ALA A 239
HIS A 273
GLU A 274
HIS A 278
GLU A 318
 None
FE  A 502 (-3.2A)
None
FE  A 502 (-3.2A)
FE  A 502 (-2.1A)
 0.81A 4r7lA-5jk6A:
2.5		 4r7lA-5jk6A:
24.38
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.
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)
 0.87A 4r7lA-5kdxA:
5.9		 4r7lA-5kdxA:
23.02
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		5 HIS A 463
GLU A 464
HIS A 467
GLU A 492
TYR A 606
 ZN  A1001 ( 3.3A)
K26  A1005 (-2.7A)
ZN  A1001 ( 3.4A)
ZN  A1001 ( 2.2A)
SO4  A1004 ( 3.7A)
 0.46A 4r7lA-5l44A:
7.5		 4r7lA-5l44A:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.27A 4r7lA-5o7eA:
7.2		 4r7lA-5o7eA:
10.44
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.
5tpr 3-DEHYDROQUINATE
SYNTHASE

(Trichormus
variabilis) 		PF01761
(DHQ_synthase) 		5 ALA A 203
HIS A 287
HIS A 271
GLU A 198
LEU A 242
 None
NAD  A 503 (-3.1A)
ZN  A 501 (-3.3A)
ZN  A 501 (-2.6A)
None
 1.28A 4r7lA-5tprA:
undetectable		 4r7lA-5tprA:
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		5 GLN A  97
ALA A  74
GLU A 125
HIS A 182
PHE A  16
 NAD  A 401 (-3.2A)
None
None
TLA  A 402 ( 3.9A)
NAD  A 401 (-3.3A)
 1.26A 4r7lA-5uibA:
undetectable		 4r7lA-5uibA:
19.55
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 TYR A 583
HIS A 600
GLU A 486
GLU A 359
LEU A 296
 None
SEB  A 360 ( 4.2A)
None
SEB  A 360 ( 3.3A)
None
 1.33A 4r7lA-5ydjA:
undetectable		 4r7lA-5ydjA:
8.35
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 6 GLN A 208
HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ILE  A1024 (-4.2A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.72A 4r7lA-6bv2A:
30.3		 4r7lA-6bv2A:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 6 HIS A 383
GLU A 384
HIS A 387
TRP A 399
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
SO4  A1025 (-3.5A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.48A 4r7lA-6bv2A:
30.3		 4r7lA-6bv2A:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.46A 4r7lA-6bvdA:
2.0		 4r7lA-6bvdA:
10.76
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.
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
 0.45A 4r7lA-6f4eA:
undetectable		 4r7lA-6f4eA:
10.52
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.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 GLN A 425
ALA A 424
HIS A 522
GLU A 520
HIS A 499
 None
None
EDO  A 903 ( 4.0A)
None
None
 1.33A 4r7lA-6fnwA:
undetectable		 4r7lA-6fnwA:
8.56
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.
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)
 0.76A 4r7lA-6fpcA:
4.0		 4r7lA-6fpcA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A 164
HIS A  56
GLU A 237
HIS A 209
GLU A 122
 None
ZN  A 401 ( 3.3A)
None
CD  A 403 ( 3.7A)
CD  A 403 (-2.4A)
 0.97A 4r7lA-6fv4A:
undetectable		 4r7lA-6fv4A:
9.58