SIMILAR PATTERNS OF AMINO ACIDS FOR 3TOP_A_ACRA1_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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 ILE A 168
ASP A  97
ASP A  48
PHE A   9
HIS A 131
 None
 1.49A 3topA-1fvpA:
undetectable		 3topA-1fvpA:
13.98
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ASP A 240
PRO A  12
ILE A 167
MET A 150
ASP A  11
 GOL  A3001 ( 2.5A)
None
None
GOL  A3001 (-3.4A)
CA  A2001 (-3.1A)
 1.41A 3topA-1q8fA:
undetectable		 3topA-1q8fA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A  87
ASP A 212
ILE A 249
TRP A 284
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
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.56A 3topA-2g3nA:
34.9		 3topA-2g3nA:
26.29
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A  87
TRP A 284
MET A 321
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
 1.46A 3topA-2g3nA:
34.9		 3topA-2g3nA:
26.29
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.
2mas INOSINE-URIDINE
NUCLEOSIDE
N-RIBOHYDROLASE

(Crithidia
fasciculata) 		PF01156
(IU_nuc_hydro) 		5 ASP A 242
PRO A  11
ILE A 169
MET A 152
ASP A  10
 PIR  A 400 (-2.5A)
None
None
PIR  A 400 (-3.5A)
CA  A 316 ( 3.1A)
 1.45A 3topA-2masA:
undetectable		 3topA-2masA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		8 ASP A 239
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)
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)
 0.55A 3topA-2x2iA:
32.8		 3topA-2x2iA:
24.45
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.
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
 0.69A 3topA-2xvgA:
33.5		 3topA-2xvgA:
24.87
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 470
TRP A 511
ASP A 659
PHE A 692
HIS A 740
 None
 0.87A 3topA-2xvgA:
33.5		 3topA-2xvgA:
24.87
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.
2zwr METALLO-BETA-LACTAMA
SE SUPERFAMILY
PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 ASP A  58
ILE A  27
ASP A  28
ASP A 144
PHE A 147
 ZN  A 208 (-2.7A)
None
None
ZN  A 208 ( 2.5A)
None
 1.36A 3topA-2zwrA:
undetectable		 3topA-2zwrA:
13.04
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
ASP A 327
ILE A 364
TRP A 406
ASP A 443
MET A 444
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
None
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.52A 3topA-3cttA:
48.7		 3topA-3cttA:
43.12
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) 		6 PRO A 206
ASP A 327
ILE A 364
ASP A 443
PHE A 575
HIS A 600
 None
3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 1.29A 3topA-3cttA:
48.7		 3topA-3cttA:
43.12
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) 		5 TRP A 406
MET A 444
ARG A 526
ASP A 542
PHE A 575
 None
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
 1.20A 3topA-3cttA:
48.7		 3topA-3cttA:
43.12
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 ASP A 191
ASP A 171
ARG A  97
PHE A 114
PHE A 110
 None
 1.01A 3topA-3fnbA:
undetectable		 3topA-3fnbA:
18.20
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 ASP A 241
PRO A  11
ILE A 167
MET A 150
ASP A  10
 DNB  A 502 ( 2.5A)
None
None
DNB  A 502 (-3.4A)
CA  A 501 (-3.0A)
 1.37A 3topA-3g5iA:
undetectable		 3topA-3g5iA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		5 PRO A  96
ASP A 315
PHE A 152
PHE A 161
HIS A 186
 None
ZN  A 447 (-2.8A)
None
None
None
 1.45A 3topA-3hm7A:
undetectable		 3topA-3hm7A:
19.47
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) 		10 ASP A 231
ASP A 355
ILE A 392
TRP A 435
ASP A 472
MET A 473
ARG A 555
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
None
TRS  A6001 ( 4.6A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.46A 3topA-3lppA:
48.7		 3topA-3lppA:
41.48
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) 		5 ASP A 231
TRP A 435
MET A 473
ASP A 571
PHE A 604
 None
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
 1.24A 3topA-3lppA:
48.7		 3topA-3lppA:
41.48
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) 		5 ASP A 600
ASP A 394
ILE A 356
ASP A 355
ASP A 571
 None
None
TRS  A6001 ( 4.0A)
TRS  A6001 (-2.9A)
TRS  A6001 ( 3.7A)
 1.48A 3topA-3lppA:
48.7		 3topA-3lppA:
41.48
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) 		6 PRO A 234
ASP A 355
ILE A 392
ASP A 472
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
None
TRS  A6001 (-3.2A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 1.19A 3topA-3lppA:
48.7		 3topA-3lppA:
41.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A  73
PRO A  75
ASP A 197
ILE A 234
TRP A 271
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.6A)
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)
 0.64A 3topA-3pocA:
38.6		 3topA-3pocA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A  73
TRP A 271
MET A 308
ASP A 420
PHE A 453
 None
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
 1.30A 3topA-3pocA:
38.6		 3topA-3pocA:
24.17
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) 		10 ASP A 232
ASP A 357
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.36A 3topA-3welA:
45.0		 3topA-3welA:
34.12
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 ASP A 232
TRP A 432
MET A 470
ASP A 568
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.47A 3topA-3welA:
45.0		 3topA-3welA:
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		7 ASP A 299
ILE A 341
ASP A 412
ARG A 463
ASP A 480
PHE A 513
HIS A 540
 None
 0.53A 3topA-4b9yA:
34.3		 3topA-4b9yA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		5 ASP A 240
ASP A 246
ARG A 249
ASP A 154
PHE A 150
 None
 1.41A 3topA-4bptA:
undetectable		 3topA-4bptA:
14.63
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.
4efz METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Burkholderia
pseudomallei) 		PF00753
(Lactamase_B) 		5 ASP A  72
ILE A  29
ASP A  30
ASP A 170
PHE A 173
 CA  A 301 ( 4.9A)
None
None
CA  A 301 (-3.3A)
None
 1.40A 3topA-4efzA:
undetectable		 3topA-4efzA:
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.
4mix PUTATIVE
INSECTICIDAL TOXIN

(Photorhabdus
asymbiotica) 		PF04488
(Gly_transf_sug) 		5 ASP A2260
PRO A2348
ASP A2278
ILE A2277
ARG A2263
 UD1  A2502 (-2.9A)
UD1  A2502 (-4.1A)
CA  A2501 ( 2.7A)
UD1  A2502 (-4.5A)
UD1  A2502 (-3.1A)
 0.95A 3topA-4mixA:
undetectable		 3topA-4mixA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 ASP A 287
PRO A  57
ILE A 213
MET A 196
ASP A  56
 CA  A 401 (-3.0A)
None
None
None
CA  A 401 (-3.1A)
 1.39A 3topA-4wr2A:
undetectable		 3topA-4wr2A:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		5 ASP A  78
ILE A  35
ASP A  36
ASP A 170
PHE A 173
 GSH  A 302 ( 4.4A)
None
None
FE  A 301 ( 3.1A)
GSH  A 302 ( 4.9A)
 1.42A 3topA-4yslA:
undetectable		 3topA-4yslA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 211
TRP A 285
ARG A 385
ASP A 401
PHE A 434
 None
 1.44A 3topA-5djwA:
35.7		 3topA-5djwA:
26.72
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 211
TRP A 285
ASP A 321
ARG A 385
PHE A 434
 None
 1.25A 3topA-5djwA:
35.7		 3topA-5djwA:
26.72
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		11 ASP A 303
ASP A 443
ILE A 480
TRP A 517
ASP A 556
MET A 557
ARG A 617
ASP A 633
PHE A 666
PHE A 667
HIS A 691
 None
TRS  A1001 (-2.9A)
None
TRS  A1001 ( 4.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
None
TRS  A1001 (-4.0A)
 0.49A 3topA-5dkxA:
37.4		 3topA-5dkxA:
27.47
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 303
TRP A 517
MET A 557
ASP A 633
PHE A 666
 None
TRS  A1001 ( 4.9A)
TRS  A1001 (-3.5A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
 1.28A 3topA-5dkxA:
37.4		 3topA-5dkxA:
27.47
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.
5e3e CDII IMMUNITY
PROTEIN
LARGE EXOPROTEIN
INVOLVED IN HEME
UTILIZATION OR
ADHESION

(Yersinia
kristensenii) 		no annotation 5 ASP A  74
PRO B 281
ASP A  21
ARG B 259
HIS B 175
 None
 1.23A 3topA-5e3eA:
undetectable		 3topA-5e3eA:
7.93
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.
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
 0.62A 3topA-5f7cA:
28.4		 3topA-5f7cA:
22.99
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.
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
 0.67A 3topA-5f7sA:
31.1		 3topA-5f7sA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		11 ASP A 305
ASP A 451
ILE A 488
TRP A 525
ASP A 564
MET A 565
ARG A 624
ASP A 640
PHE A 673
PHE A 674
HIS A 698
 None
5GF  A1021 (-2.0A)
None
5GF  A1021 (-3.7A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-4.0A)
 0.48A 3topA-5hjrA:
41.9		 3topA-5hjrA:
27.35
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 305
TRP A 525
MET A 565
ASP A 640
PHE A 673
 None
5GF  A1021 (-3.7A)
5GF  A1021 (-2.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
 1.36A 3topA-5hjrA:
41.9		 3topA-5hjrA:
27.35
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 640
ASP A 305
ARG A 624
ASP A 564
HIS A 492
 5GF  A1021 (-2.6A)
None
5GF  A1021 (-3.4A)
5GF  A1021 (-2.1A)
None
 1.45A 3topA-5hjrA:
41.9		 3topA-5hjrA:
27.35
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.
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)
 0.62A 3topA-5jouA:
32.2		 3topA-5jouA:
25.51
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.95A 3topA-5jouA:
32.2		 3topA-5jouA:
25.51
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 10 ASP A 282
ASP A 404
ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.43A 3topA-5nn8A:
48.4		 3topA-5nn8A:
39.58
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 6 PRO A 285
ASP A 404
ILE A 441
ASP A 518
PHE A 649
HIS A 674
 None
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 1.28A 3topA-5nn8A:
48.4		 3topA-5nn8A:
39.58
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 ASP A  83
ILE A 132
ASP A 130
ARG A 129
ASP A  76
 None
 1.31A 3topA-5o3zA:
undetectable		 3topA-5o3zA:
7.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		5 ASP A 241
PRO A  11
ILE A 169
MET A 152
ASP A  10
 BDR  A 402 ( 2.5A)
None
None
BDR  A 402 ( 3.7A)
CA  A 401 (-3.1A)
 1.41A 3topA-5tsqA:
undetectable		 3topA-5tsqA:
16.65
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.
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
 0.50A 3topA-5x7sA:
24.7		 3topA-5x7sA:
22.35
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.
5xey PHLORETIN HYDROLASE

(Mycobacteroides
abscessus) 		no annotation 5 ASP A 270
ILE A 162
PHE A 115
PHE A 111
HIS A 118
 None
 1.16A 3topA-5xeyA:
undetectable		 3topA-5xeyA:
7.49