SIMILAR PATTERNS OF AMINO ACIDS FOR 3WEM_A_ACRA1001

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.
1gny XYLANASE 10C

(Cellvibrio
japonicus) 		PF03426
(CBM_15) 		5 ALA A 240
ASN A  92
ASP A 205
ASP A 207
ASP A 146
 None
 1.23A 3wemA-1gnyA:
undetectable		 3wemA-1gnyA:
9.99
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.
1t0a 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Shewanella
oneidensis) 		PF02542
(YgbB) 		5 ALA A 120
ASP A  40
ILE A  21
ASP A  74
ASP A 121
 None
 1.41A 3wemA-1t0aA:
undetectable		 3wemA-1t0aA:
9.93
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ASP B 159
ALA B 157
ASN B 164
ILE B  57
ARG B 110
 SO4  B3105 ( 4.8A)
None
None
None
SO4  B3105 (-2.9A)
 1.43A 3wemA-1t3qB:
undetectable		 3wemA-1t3qB:
22.12
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.
1to5 SUPEROXIDE DISMUTASE

(Schistosoma
mansoni) 		PF00080
(Sod_Cu) 		5 ASP A 100
PHE A  63
ASP A 123
ARG A  78
HIS A  70
 None
None
None
None
ZN  A 711 (-3.1A)
 1.48A 3wemA-1to5A:
undetectable		 3wemA-1to5A:
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 280
ALA A 347
ASN A  35
ILE A 398
ARG A 362
 None
 1.21A 3wemA-1vkzA:
undetectable		 3wemA-1vkzA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 622
PHE A 624
ILE A 369
ASP A  80
ASP A 623
 None
 1.37A 3wemA-1xc6A:
7.6		 3wemA-1xc6A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 ALA A 231
ASN A 235
ASP A 117
ILE A 255
HIS A  97
 None
None
ZN  A 501 ( 2.4A)
None
ZN  A 502 (-3.3A)
 1.49A 3wemA-2anpA:
undetectable		 3wemA-2anpA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.39A 3wemA-2cunA:
undetectable		 3wemA-2cunA:
17.43
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 ALA A 148
ASN A 146
ILE A  29
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.11A 3wemA-2cunA:
undetectable		 3wemA-2cunA:
17.43
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.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 5 ALA A 250
ASN A 337
ASP A 154
ASP A 291
ASP A 251
 None
 1.21A 3wemA-2d4yA:
undetectable		 3wemA-2d4yA:
18.74
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ALA A  88
ASP A 212
ILE A 213
ASP A 320
MET A 321
ARG A 400
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
 1.18A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A  87
ALA A  90
ASP A 212
ILE A 213
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
 0.96A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		9 ASP A  87
ASP A 212
ILE A 213
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.30A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A  87
ASP A 212
ILE A 249
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 1.44A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 416
ALA A  88
ASP A 251
ILE A 249
ASP A  87
 BOG  A2000 (-3.0A)
None
None
None
BOG  A2000 (-2.7A)
 1.26A 3wemA-2g3nA:
40.8		 3wemA-2g3nA:
26.82
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.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 ALA A 126
PHE A 128
ILE A  17
MET A 187
PHE A  62
 None
 1.47A 3wemA-2pbpA:
undetectable		 3wemA-2pbpA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 295
ALA A 370
ASN A  36
ILE A 421
ARG A 385
 None
None
None
None
GOL  A 804 (-4.2A)
 1.23A 3wemA-2qk4A:
undetectable		 3wemA-2qk4A:
18.03
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.
2w20 SIALIDASE A

(Streptococcus
pneumoniae) 		PF13088
(BNR_2) 		5 ASN A 599
ASP A 417
ILE A 348
ASP A 372
PHE A 565
 None
 1.48A 3wemA-2w20A:
2.5		 3wemA-2w20A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		5 ASP A 239
ASN A 242
ASP A 553
MET A 554
ARG A 649
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
 1.12A 3wemA-2x2iA:
32.5		 3wemA-2x2iA:
24.57
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		9 ASP A 239
ASN A 244
ASP A 412
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
None
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.65A 3wemA-2x2iA:
32.5		 3wemA-2x2iA:
24.57
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 327
ASN A 326
ASP A 246
ASP A 209
HIS A 604
 None
None
ZN  A1639 (-2.7A)
None
ZN  A1639 (-3.3A)
 1.33A 3wemA-2xr1A:
undetectable		 3wemA-2xr1A:
22.05
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 470
ASP A 582
ARG A 642
ASP A 659
PHE A 692
HIS A 740
 None
 0.52A 3wemA-2xvgA:
34.5		 3wemA-2xvgA:
25.61
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.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 290
ALA A 363
ASN A  34
ILE A 414
ARG A 378
 None
None
None
None
PO4  A 645 (-3.6A)
 1.28A 3wemA-2yw2A:
undetectable		 3wemA-2yw2A:
18.72
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 342
ASN A 341
ASP A 260
ASP A 217
HIS A 618
 None
ACY  A 658 (-3.4A)
ZN  A 665 ( 2.9A)
None
ZN  A 665 ( 3.3A)
 1.30A 3wemA-3af5A:
2.1		 3wemA-3af5A:
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.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		5 ASP A 105
PHE A  68
ASP A 128
ARG A  83
HIS A  75
 None
None
None
None
ZN  A 202 (-3.1A)
 1.47A 3wemA-3ce1A:
2.0		 3wemA-3ce1A:
10.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 203
ASN A 207
ASP A 327
ILE A 328
ASP A 443
MET A 444
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
None
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.71A 3wemA-3cttA:
47.4		 3wemA-3cttA:
36.56
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 ASN A  63
ASP A 191
ASP A 171
ARG A  97
PHE A 114
 None
 1.18A 3wemA-3fnbA:
undetectable		 3wemA-3fnbA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ALA A 467
ASN A  80
ILE A 250
ARG A 336
PHE A 258
 None
 1.41A 3wemA-3i4gA:
undetectable		 3wemA-3i4gA:
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.
3ikf 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF02542
(YgbB) 		5 ALA A 120
ASP A  40
ILE A  21
ASP A  74
ASP A 121
 None
 1.41A 3wemA-3ikfA:
undetectable		 3wemA-3ikfA:
11.02
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.
3km2 SUPEROXIDE DISMUTASE
[CU-ZN],
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00080
(Sod_Cu) 		5 ASP A 101
ASN A 110
ASP A 124
ARG A  79
HIS A  71
 None
None
None
None
ZN  A 155 (-3.2A)
 1.46A 3wemA-3km2A:
undetectable		 3wemA-3km2A:
10.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		9 ASP A 231
ASP A 355
ILE A 356
ASP A 472
MET A 473
ARG A 555
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.32A 3wemA-3lppA:
51.5		 3wemA-3lppA:
35.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 231
ASP A 355
ILE A 392
MET A 473
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
None
TRS  A6001 ( 3.7A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 1.47A 3wemA-3lppA:
51.5		 3wemA-3lppA:
35.98
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 624
PHE A 626
ILE A 368
ASP A  80
ASP A 625
 None
 1.31A 3wemA-3ogrA:
7.7		 3wemA-3ogrA:
23.63
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.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 ASP A  90
ALA A  79
PHE A 133
ASN A 147
ASP A 448
 None
 1.44A 3wemA-3om5A:
undetectable		 3wemA-3om5A:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ALA A 448
ASN A 431
ASP A 197
ILE A 234
ASP A 449
 None
None
ACR  A 664 (-2.9A)
None
None
 1.32A 3wemA-3pocA:
35.2		 3wemA-3pocA:
26.07
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		8 ASP A  73
ASP A 197
ILE A 198
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.34A 3wemA-3pocA:
35.2		 3wemA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		9 ASP A1157
ASP A1279
ILE A1280
ASP A1420
MET A1421
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.41A 3wemA-3topA:
44.5		 3wemA-3topA:
34.12
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 ALA A 165
ASN A 299
ASP A 182
ARG A 149
HIS A 157
 None
 1.13A 3wemA-3ugkA:
undetectable		 3wemA-3ugkA:
18.02
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.
3w9u PUTATIVE LIPASE

(Proteus
mirabilis) 		PF00561
(Abhydrolase_1) 		5 ASP A 213
ALA A 262
PHE A  22
ASP A 253
HIS A  78
 None
 1.16A 3wemA-3w9uA:
undetectable		 3wemA-3w9uA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ASP A  60
ALA A 159
ASN A  63
ASP A  77
ARG A 157
 None
 1.50A 3wemA-3wc3A:
undetectable		 3wemA-3wc3A:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		12 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 358
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.16A 3wemA-3welA:
62.2		 3wemA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		9 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 396
MET A 470
ASP A 568
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.41A 3wemA-3welA:
62.2		 3wemA-3welA:
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 ASP A 294
ALA A 313
ASP A 230
ARG A 261
HIS A 172
 None
None
HG  A 403 ( 4.8A)
None
None
 1.22A 3wemA-3wjsA:
8.9		 3wemA-3wjsA:
16.53
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ASP A 934
ALA A1737
PHE A1753
ASP A1767
ASP A1754
 None
 1.03A 3wemA-4aygA:
2.6		 3wemA-4aygA:
22.46
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 299
ASP A 412
ARG A 463
ASP A 480
PHE A 513
HIS A 540
 None
 0.44A 3wemA-4b9yA:
42.3		 3wemA-4b9yA:
25.43
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 299
ILE A 341
ASP A 480
PHE A 513
HIS A 540
 None
 1.36A 3wemA-4b9yA:
42.3		 3wemA-4b9yA:
25.43
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.
4c8g 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF02542
(YgbB) 		5 ALA A 120
ASP A  40
ILE A  21
ASP A  74
ASP A 121
 None
 1.46A 3wemA-4c8gA:
undetectable		 3wemA-4c8gA:
11.98
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.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASP A 444
ALA A 447
ASN A 523
ASP A 302
ASP A 525
 DPO  A 605 (-2.6A)
None
None
None
DPO  A 605 ( 4.6A)
 1.40A 3wemA-4di5A:
undetectable		 3wemA-4di5A:
20.46
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 619
PHE A 621
ILE A 368
ASP A  80
ASP A 620
 None
 1.36A 3wemA-4iugA:
5.7		 3wemA-4iugA:
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.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens) 		PF00092
(VWA)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ASP A 663
PHE A 608
ILE B 482
ASP A 706
ARG A 670
 None
 1.24A 3wemA-4nenA:
3.0		 3wemA-4nenA:
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.
4o7p MALTOKINASE

(Mycobacterium
tuberculosis) 		no annotation 5 ASP A 402
PHE A 368
ASN A 396
ASP A 411
ARG A 413
 None
 1.45A 3wemA-4o7pA:
undetectable		 3wemA-4o7pA:
20.59
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.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Homo sapiens) 		PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 ALA A 428
PHE A 426
ASP A 379
ASP A 427
PHE A 323
 None
 1.43A 3wemA-4p22A:
undetectable		 3wemA-4p22A:
19.66
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.
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 993
PHE A 989
ASP A 946
ASP A 921
HIS A 915
 None
None
MG  A1503 (-1.7A)
None
None
 1.47A 3wemA-4qpmA:
undetectable		 3wemA-4qpmA:
17.58
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.
4rvp SUPEROXIDE DISMUTASE

(Sedum alfredii) 		PF00080
(Sod_Cu) 		5 ASP A 113
ASN A 122
ASP A 136
ARG A  91
HIS A  83
 None
None
None
None
ZN  A 201 (-3.1A)
 1.46A 3wemA-4rvpA:
undetectable		 3wemA-4rvpA:
10.95
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.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		5 ASP A 138
PHE A  72
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.45A 3wemA-4rxuA:
undetectable		 3wemA-4rxuA:
17.43
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.
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum) 		PF13442
(Cytochrome_CBB3) 		5 ALA A 174
ASP A  34
ARG A 177
ASP A 173
HIS A  51
 None
None
None
None
HEC  A1002 (-4.9A)
 1.45A 3wemA-4wqeA:
undetectable		 3wemA-4wqeA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		5 ASP A 244
ASP A 191
ILE A 220
ASP A 216
ARG A  61
 None
MVI  A 305 ( 2.7A)
MVI  A 305 ( 4.3A)
MG  A 304 ( 2.9A)
MVI  A 305 ( 4.3A)
 1.47A 3wemA-4x81A:
undetectable		 3wemA-4x81A:
15.52
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		5 ASP A 133
ALA A 128
PHE A 122
ARG A 279
HIS A 247
 None
None
None
None
PAF  A 401 (-4.1A)
 1.41A 3wemA-4xeqA:
undetectable		 3wemA-4xeqA:
16.18
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		5 ASP A 133
ALA A 128
PHE A 122
ILE A 100
ARG A 279
 None
 1.19A 3wemA-4xeqA:
undetectable		 3wemA-4xeqA:
16.18
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 ALA A 290
ASP A 158
ILE A 186
ASP A  42
HIS A  97
 None
 1.43A 3wemA-4ypvA:
undetectable		 3wemA-4ypvA:
14.90
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.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 ASP A 429
PHE A 425
ILE A 198
ARG A 496
ASP A 192
 None
 1.23A 3wemA-4z11A:
undetectable		 3wemA-4z11A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdc VP1, STRUCTURAL
POLYPROTEIN

(Israeli acute
paralysis virus) 		PF08762
(CRPV_capsid) 		5 ASP A  76
ALA A 183
ILE A 156
ASP A  71
PHE A 188
 None
 1.43A 3wemA-5cdcA:
undetectable		 3wemA-5cdcA:
13.22
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ALA A  90
ASP A 211
ILE A 212
ASP A 321
ARG A 385
 None
 1.08A 3wemA-5djwA:
36.2		 3wemA-5djwA:
28.00
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 211
ASP A 321
ARG A 385
ASP A 401
PHE A 434
 None
 1.46A 3wemA-5djwA:
36.2		 3wemA-5djwA:
28.00
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		9 ASP A 303
ASP A 443
ILE A 444
ASP A 556
MET A 557
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
TRS  A1001 (-3.2A)
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.33A 3wemA-5dkxA:
42.7		 3wemA-5dkxA:
27.94
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		8 ASP A 303
ASP A 443
ILE A 480
MET A 557
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
None
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 1.33A 3wemA-5dkxA:
42.7		 3wemA-5dkxA:
27.94
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.
5e3e CDII IMMUNITY
PROTEIN

(Yersinia
kristensenii) 		no annotation 5 ALA A  35
PHE A  26
ILE A  52
MET A  97
PHE A  18
 None
 1.30A 3wemA-5e3eA:
undetectable		 3wemA-5e3eA:
8.49
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A 228
ASN A 234
ASP A 348
ASP A 460
ARG A 507
PHE A 556
 None
 1.02A 3wemA-5f7cA:
33.7		 3wemA-5f7cA:
24.59
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 228
ASP A 348
ASP A 460
ARG A 507
ASP A 523
PHE A 556
HIS A 588
 None
 0.49A 3wemA-5f7cA:
33.7		 3wemA-5f7cA:
24.59
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 467
ARG A 516
ASP A 532
PHE A 565
HIS A 591
 CA  A 805 (-2.9A)
CA  A 805 ( 4.6A)
CA  A 805 ( 4.6A)
None
None
 0.56A 3wemA-5f7sA:
35.3		 3wemA-5f7sA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		9 ASP A 305
ASP A 451
ILE A 452
ASP A 564
MET A 565
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.31A 3wemA-5hjrA:
40.9		 3wemA-5hjrA:
29.87
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		8 ASP A 305
ASP A 451
ILE A 488
MET A 565
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
None
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 1.28A 3wemA-5hjrA:
40.9		 3wemA-5hjrA:
29.87
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ALA B 793
ASN B 794
ILE B 204
ARG B 788
ASP B 790
 None
 1.46A 3wemA-5ip9B:
undetectable		 3wemA-5ip9B:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd3 LAE5

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 ALA A 150
ASP A 172
ASP A 178
ARG A 144
ASP A 153
 SO4  A 303 (-3.2A)
None
None
None
None
 1.44A 3wemA-5jd3A:
undetectable		 3wemA-5jd3A:
13.19
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASN A 319
ASP A 441
ASP A 553
ARG A 613
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-4.0A)
 1.13A 3wemA-5jouA:
34.4		 3wemA-5jouA:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.46A 3wemA-5jouA:
34.4		 3wemA-5jouA:
25.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ASP A 440
ALA A 445
PHE A 390
ASP A 284
ARG A 347
 None
None
None
MN  A 601 (-2.2A)
BCT  A 603 (-3.8A)
 1.31A 3wemA-5lhkA:
undetectable		 3wemA-5lhkA:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 9 ASP A 282
ALA A 284
ASP A 404
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.30A 3wemA-5nn8A:
47.3		 3wemA-5nn8A:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 7 ASP A 282
ALA A 284
ASP A 404
ILE A 441
MET A 519
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.45A 3wemA-5nn8A:
47.3		 3wemA-5nn8A:
37.15
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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Neisseria
gonorrhoeae) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 291
ALA A 364
ASN A  34
ILE A 416
ARG A 380
 None
None
None
None
SO4  A 511 (-3.8A)
 1.29A 3wemA-5vevA:
undetectable		 3wemA-5vevA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A 429
ARG A 474
ASP A 491
PHE A 533
HIS A 565
 None
 0.40A 3wemA-5x7sA:
18.2		 3wemA-5x7sA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 327
TRP A 435
TRP A 470
TRP A 568
 TRS  A6001 ( 3.8A)
TRS  A6001 ( 4.6A)
None
None
 0.38A 3wemA-3lppA:
51.5		 3wemA-3lppA:
35.98
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 169
TRP A 271
TRP A 305
TRP A 417
 ACR  A 664 (-3.7A)
ACR  A 664 (-4.6A)
None
ACR  A 664 (-4.6A)
 1.06A 3wemA-3pocA:
35.4		 3wemA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ILE A 233
TRP A 329
TRP A 432
TRP A 467
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
 0.29A 3wemA-3welA:
62.2		 3wemA-3welA:
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.
3zm8 GH26
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF02156
(Glyco_hydro_26)
PF16990
(CBM_35) 		4 ILE A 273
TRP A 295
TRP A 308
TRP A 307
 None
 1.48A 3wemA-3zm8A:
0.4		 3wemA-3zm8A:
18.10
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 TRP A 415
TRP A 517
TRP A 554
TRP A 630
 None
TRS  A1001 ( 4.9A)
TRS  A1001 (-4.9A)
None
 0.51A 3wemA-5dkxA:
42.7		 3wemA-5dkxA:
27.94
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 423
TRP A 525
TRP A 562
TRP A 637
 5GF  A1021 (-3.1A)
5GF  A1021 (-3.7A)
5GF  A1021 (-4.6A)
5GF  A1021 ( 4.6A)
 0.54A 3wemA-5hjrA:
40.9		 3wemA-5hjrA:
29.87
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.
5jp9 CMP
5-HYDROXYMETHYLASE

(Streptomyces
rimofaciens) 		PF00303
(Thymidylat_synt) 		4 ILE A 205
TRP A 285
TRP A 251
TRP A 119
 None
 1.40A 3wemA-5jp9A:
0.0		 3wemA-5jp9A:
15.85
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.
5jwy PHOSPHATIDYLGLYCEROP
HOSPHATASE B

(Escherichia
coli) 		PF01569
(PAP2) 		4 ILE A 116
TRP A  29
TRP A 151
TRP A 208
 None
 1.34A 3wemA-5jwyA:
0.3		 3wemA-5jwyA:
15.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 TRP A 376
TRP A 481
TRP A 516
TRP A 613
 ACR  A1015 ( 4.6A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.8A)
 0.86A 3wemA-5nn8A:
47.3		 3wemA-5nn8A:
37.15