SIMILAR PATTERNS OF AMINO ACIDS FOR 3PHA_B_ACRB701

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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 ILE A  72
ILE A 184
ILE A 162
ASP A  45
PHE A 230
 None
None
None
NDP  A 300 ( 3.9A)
NDP  A 300 (-4.7A)
 1.35A 3phaB-1a80A:
8.5		 3phaB-1a80A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cen CELLULASE CELC

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 ILE A 127
ILE A 171
ILE A 188
ASP A 190
ARG A 161
 None
 1.48A 3phaB-1cenA:
3.3		 3phaB-1cenA:
19.88
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 ILE A 131
ILE A 559
ASP A 557
ARG A 509
ASP A 507
 None
 1.31A 3phaB-1fohA:
undetectable		 3phaB-1fohA:
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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 ILE A 168
ASP A  97
ASP A  48
PHE A   9
HIS A 131
 None
 1.42A 3phaB-1fvpA:
undetectable		 3phaB-1fvpA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		5 ILE A  78
ASP A 223
ASP A 225
ARG A 272
ASP A  60
 None
 1.33A 3phaB-1k8gA:
undetectable		 3phaB-1k8gA:
18.09
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		6 ASP A 173
ILE A 208
ILE A 186
ASP A 206
ARG A 191
ASP A  52
 None
 1.41A 3phaB-1nnhA:
undetectable		 3phaB-1nnhA:
19.88
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.
1ph5 TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		5 ILE A  78
ASP A 223
ASP A 225
ARG A 272
ASP A  60
 None
 1.40A 3phaB-1ph5A:
undetectable		 3phaB-1ph5A:
20.39
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.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A  74
ILE A  87
ILE A  43
ASP A 155
PHE A  91
 None
None
None
ATP  A 381 ( 4.4A)
None
 1.38A 3phaB-1ua2A:
undetectable		 3phaB-1ua2A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cb4 MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		no annotation 5 ASP A 273
ILE A 139
ASP A 105
ASP A  99
ARG A  97
 None
 1.05A 3phaB-2cb4A:
undetectable		 3phaB-2cb4A:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 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 213
ILE A 249
TRP A 284
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.54A 3phaB-2g3nA:
42.6		 3phaB-2g3nA:
27.86
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.
2hcf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Chlorobaculum
tepidum) 		PF13419
(HAD_2) 		5 ASP A 177
ILE A 175
ASP A  49
ILE A  52
ASP A   9
 MG  A 300 (-2.7A)
None
None
None
MG  A 300 (-2.5A)
 1.43A 3phaB-2hcfA:
undetectable		 3phaB-2hcfA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iic ALPHA-11 GIARDIN

(Giardia
intestinalis) 		no annotation 5 ASP A  89
ILE A 220
ILE A  99
ASP A  95
ARG A 254
 None
 1.26A 3phaB-2iicA:
undetectable		 3phaB-2iicA:
19.10
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 ILE A 898
ILE A 864
ILE A 596
PHE A 632
HIS A 872
 None
 1.12A 3phaB-2r6fA:
undetectable		 3phaB-2r6fA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 ASP A 273
ILE A 139
ASP A 105
ASP A  99
ARG A  97
 None
 1.02A 3phaB-2vsaA:
undetectable		 3phaB-2vsaA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		7 ASP A 239
ASP A 412
ASP A 553
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 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.49A 3phaB-2x2iA:
31.4		 3phaB-2x2iA:
24.25
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.
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
 0.46A 3phaB-2xvgA:
37.9		 3phaB-2xvgA:
23.20
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.
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
 0.96A 3phaB-2xvgA:
37.9		 3phaB-2xvgA:
23.20
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 688
ILE A 660
ASP A 659
ASP A 582
HIS A 740
 None
 1.24A 3phaB-2xvgA:
37.9		 3phaB-2xvgA:
23.20
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ASP A 423
ILE A 391
ASP A 490
ARG A 367
ASP A 368
 None
None
K  A2903 ( 3.4A)
K  A2903 (-4.0A)
None
 1.22A 3phaB-3actA:
undetectable		 3phaB-3actA:
20.54
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.
3buu UNCHARACTERIZED LOLA
SUPERFAMILY PROTEIN
NE2245

(Nitrosomonas
europaea) 		PF17131
(LolA_like) 		5 ILE A  99
ASP A 167
ILE A 166
ASP A 142
ARG A 136
 None
 1.45A 3phaB-3buuA:
undetectable		 3phaB-3buuA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 203
ASP A 327
ILE A 328
ILE A 364
TRP A 406
ASP A 443
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.5A)
None
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.48A 3phaB-3cttA:
40.9		 3phaB-3cttA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 542
ASP A 366
ILE A 364
ILE A 328
ASP A 203
 3CU  A1001 ( 2.5A)
None
3CU  A1001 (-4.5A)
3CU  A1001 ( 3.9A)
GOL  A3001 (-2.6A)
 1.18A 3phaB-3cttA:
40.9		 3phaB-3cttA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A  86
ASP A 170
ILE A 168
ASP A  84
PHE A 129
 None
 1.45A 3phaB-3enqA:
undetectable		 3phaB-3enqA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gtd FUMARATE HYDRATASE
CLASS II

(Rickettsia
prowazekii) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ASP A 403
ILE A 395
ILE A 181
ARG A 402
ASP A 451
 None
 1.15A 3phaB-3gtdA:
undetectable		 3phaB-3gtdA:
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.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		5 ILE A 109
ILE A  73
ILE A  58
ASP A 255
PHE A 240
 None
 1.35A 3phaB-3h9cA:
undetectable		 3phaB-3h9cA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A 109
ASP A 203
ILE A 201
ASP A 107
PHE A 152
 None
None
None
5RP  A 501 (-2.6A)
None
 1.48A 3phaB-3hheA:
undetectable		 3phaB-3hheA:
17.48
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.
3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASP A 334
ILE A 341
ILE A 457
ILE A 432
ARG A 336
 None
 1.44A 3phaB-3i4gA:
undetectable		 3phaB-3i4gA:
21.66
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		5 ASP A 111
ILE A  78
ILE A 670
ILE A 176
ASP A 750
 None
 1.28A 3phaB-3j9dA:
undetectable		 3phaB-3j9dA:
22.13
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		5 ILE A 176
ILE A 670
ASP A 669
ARG A 695
ASP A 111
 None
 1.31A 3phaB-3j9dA:
undetectable		 3phaB-3j9dA:
22.13
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.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		5 ASP A 452
ILE A 443
ASP A 414
ARG A 396
ASP A 213
 None
 1.33A 3phaB-3lm3A:
undetectable		 3phaB-3lm3A:
22.53
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.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		5 ILE A 201
ASP A 452
ASP A 414
ARG A 396
ASP A 213
 None
 1.25A 3phaB-3lm3A:
undetectable		 3phaB-3lm3A:
22.53
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 231
ASP A 355
ILE A 356
ILE A 392
TRP A 435
ASP A 472
ARG A 555
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
None
TRS  A6001 ( 4.6A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.36A 3phaB-3lppA:
25.8		 3phaB-3lppA:
24.81
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 571
ASP A 394
ILE A 392
ILE A 356
ASP A 231
 TRS  A6001 ( 3.7A)
None
None
TRS  A6001 ( 4.0A)
None
 1.19A 3phaB-3lppA:
25.8		 3phaB-3lppA:
24.81
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 600
ASP A 394
ILE A 392
ILE A 356
ASP A 571
 None
None
None
TRS  A6001 ( 4.0A)
TRS  A6001 ( 3.7A)
 1.38A 3phaB-3lppA:
25.8		 3phaB-3lppA:
24.81
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.
3lqa ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 280
ILE G 328
ILE G 290
TRP G 333
HIS G 368
 None
 1.32A 3phaB-3lqaG:
undetectable		 3phaB-3lqaG:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lws AROMATIC AMINO ACID
BETA-ELIMINATING
LYASE/THREONINE
ALDOLASE

(Exiguobacterium
sibiricum) 		PF01212
(Beta_elim_lyase) 		5 ASP A 235
ILE A 227
ILE A 243
ILE A  47
ASP A  40
 None
 1.49A 3phaB-3lwsA:
undetectable		 3phaB-3lwsA:
21.07
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.
3nv0 NTF2-RELATED EXPORT
PROTEIN
NUCLEAR RNA EXPORT
FACTOR 2

(Caenorhabditis
elegans) 		PF02136
(NTF2)
no annotation 		5 ILE A 261
TRP A 258
ASP A 259
ARG A 389
ASP B 137
 NA  A 451 (-4.1A)
None
NA  A 451 (-2.6A)
None
None
 1.42A 3phaB-3nv0A:
undetectable		 3phaB-3nv0A:
16.59
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		6 ASP A 173
ILE A 208
ILE A 186
ASP A 206
ARG A 191
ASP A  52
 None
 1.48A 3phaB-3p8tA:
undetectable		 3phaB-3p8tA:
19.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		9 ASP A  73
ILE A  76
ASP A 197
ILE A 198
ARG A 404
ASP A 420
LYS A 422
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.48A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		11 ASP A  73
ILE A  76
ASP A 197
ILE A 198
ILE A 234
TRP A 271
ARG A 404
ASP A 420
LYS A 422
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.28A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 420
ASP A 236
ILE A 234
ILE A 198
ASP A  73
 ACR  A 664 (-2.8A)
None
None
ACR  A 664 (-3.5A)
None
 1.16A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 ASP A1157
ASP A1279
ILE A1280
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.39A 3phaB-3topA:
37.7		 3phaB-3topA:
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A1157
ASP A1279
ILE A1280
ILE A1315
TRP A1355
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.45A 3phaB-3topA:
37.7		 3phaB-3topA:
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.
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 358
ILE A 396
TRP A 432
ASP A 469
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.32A 3phaB-3welA:
32.4		 3phaB-3welA:
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ASP A 568
ASP A 398
ILE A 396
ILE A 358
ASP A 232
 ACR  A1001 (-2.7A)
None
ACR  A1001 (-4.9A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
 1.14A 3phaB-3welA:
32.4		 3phaB-3welA:
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.
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
 0.46A 3phaB-4b9yA:
39.5		 3phaB-4b9yA:
24.97
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.
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
 1.33A 3phaB-4b9yA:
39.5		 3phaB-4b9yA:
24.97
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.
4cit VANADIUM-DEPENDENT
HALOPEROXIDASE

(Zobellia
galactanivorans) 		PF01569
(PAP2) 		5 ASP A  38
ASP A 383
ILE A 290
ILE A 287
LYS A 276
 None
 1.43A 3phaB-4citA:
undetectable		 3phaB-4citA:
21.35
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ASP A 837
ILE A 794
ASP A 806
ILE A 843
PHE A 814
 None
 1.12A 3phaB-4fddA:
undetectable		 3phaB-4fddA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmk RIBOSE-5-PHOSPHATE
ISOMERASE A

(Lactobacillus
salivarius) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A  89
ASP A 178
ILE A 176
ASP A  87
PHE A 132
 None
None
None
PO4  A 301 (-2.6A)
None
 1.44A 3phaB-4gmkA:
undetectable		 3phaB-4gmkA:
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.
4io1 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Francisella
tularensis) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A 123
ASP A 176
ILE A 174
ASP A  90
PHE A 135
 None
None
None
PO4  A 306 ( 4.8A)
None
 1.46A 3phaB-4io1A:
undetectable		 3phaB-4io1A:
16.04
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ASP A 620
ILE A 368
ILE A  81
ASP A  80
ASP A 905
 None
 1.31A 3phaB-4iugA:
6.9		 3phaB-4iugA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		5 ILE A  20
ASP A 141
ILE A 140
ARG A 285
HIS A 258
 None
TRS  A 402 (-3.0A)
None
TRS  A 402 (-2.9A)
CA  A 401 (-3.7A)
 1.41A 3phaB-4novA:
undetectable		 3phaB-4novA:
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 ASP B 133
ILE B 254
ILE B 370
ASP B 354
ARG B 288
 None
 1.20A 3phaB-4ouaB:
undetectable		 3phaB-4ouaB:
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.
4oua LATENT FORM OF PPO4
TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 ASP B 133
ILE B 254
ILE B 370
ASP B 354
ARG B 288
 None
 1.41A 3phaB-4ouaB:
undetectable		 3phaB-4ouaB:
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 ASP A 133
ILE A 254
ILE A 370
ASP A 354
ARG A 288
 None
 1.22A 3phaB-4ouaA:
undetectable		 3phaB-4ouaA:
20.15
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.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 ASP A 133
ILE A 254
ILE A 370
ASP A 354
ARG A 288
 None
 1.34A 3phaB-4ouaA:
undetectable		 3phaB-4ouaA:
20.15
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.
4pmd ENDO-1,4-BETA-XYLANA
SE

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		5 ILE A 323
ILE A 334
ILE A 335
PHE A 321
HIS A  43
 None
 1.49A 3phaB-4pmdA:
2.6		 3phaB-4pmdA:
20.18
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.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		5 ASP A 138
ILE A 111
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
 1.48A 3phaB-4rxuA:
undetectable		 3phaB-4rxuA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		5 ILE A  48
ILE A 407
ILE A 426
ARG A 419
ASP A 378
 None
 1.29A 3phaB-4xkqA:
undetectable		 3phaB-4xkqA:
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.37A 3phaB-5aw4A:
undetectable		 3phaB-5aw4A:
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.
5cdc VP1, STRUCTURAL
POLYPROTEIN

(Israeli acute
paralysis virus) 		PF08762
(CRPV_capsid) 		5 ASP A  76
ILE A 156
ASP A  71
ARG A 182
PHE A 188
 None
 1.32A 3phaB-5cdcA:
undetectable		 3phaB-5cdcA:
14.80
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 TRP A 285
ASP A 321
ARG A 385
ASP A 401
PHE A 434
 None
 1.24A 3phaB-5djwA:
38.2		 3phaB-5djwA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		10 ASP A 303
ASP A 443
ILE A 444
ILE A 480
TRP A 517
ASP A 556
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
None
TRS  A1001 ( 4.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.39A 3phaB-5dkxA:
42.9		 3phaB-5dkxA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 443
ILE A 444
ILE A 480
TRP A 517
ASP A 482
 TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
None
TRS  A1001 ( 4.9A)
None
 1.24A 3phaB-5dkxA:
42.9		 3phaB-5dkxA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 633
ASP A 482
ILE A 480
ILE A 444
ASP A 303
 TRS  A1001 (-2.8A)
None
None
TRS  A1001 ( 4.1A)
None
 1.25A 3phaB-5dkxA:
42.9		 3phaB-5dkxA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.43A 3phaB-5f7cA:
30.8		 3phaB-5f7cA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.51A 3phaB-5f7sA:
24.0		 3phaB-5f7sA:
23.11
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.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A   6
ILE A   2
ASP A 235
ARG A  17
PHE A  26
 None
 1.50A 3phaB-5h12A:
undetectable		 3phaB-5h12A:
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.
5h9m E3 UBIQUITIN-PROTEIN
LIGASE SIAH2

(Homo sapiens) 		PF03145
(Sina) 		5 ASP A 285
ILE A 248
ILE A 160
ASP A 159
ARG A 255
 None
 1.50A 3phaB-5h9mA:
undetectable		 3phaB-5h9mA:
14.75
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 ASP A 219
ILE A 300
ASP A 119
ILE A 122
ILE A  10
 61P  A 406 (-2.9A)
61P  A 406 (-4.0A)
61P  A 406 ( 4.9A)
None
None
 1.30A 3phaB-5hctA:
undetectable		 3phaB-5hctA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A 305
ASP A 451
ILE A 452
ILE A 488
TRP A 525
ASP A 564
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-3.7A)
5GF  A1021 (-2.1A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.40A 3phaB-5hjrA:
41.7		 3phaB-5hjrA:
25.99
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.
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
ASP A 564
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
None
5GF  A1021 (-2.1A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 1.25A 3phaB-5hjrA:
41.7		 3phaB-5hjrA:
25.99
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 451
ILE A 452
ILE A 488
TRP A 525
ASP A 490
 5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-3.7A)
5GF  A1021 ( 4.6A)
 1.20A 3phaB-5hjrA:
41.7		 3phaB-5hjrA:
25.99
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.
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
 1.42A 3phaB-5hjrA:
41.7		 3phaB-5hjrA:
25.99
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 640
ASP A 490
ILE A 488
ILE A 452
ASP A 305
 5GF  A1021 (-2.6A)
5GF  A1021 ( 4.6A)
None
5GF  A1021 (-3.6A)
None
 1.30A 3phaB-5hjrA:
41.7		 3phaB-5hjrA:
25.99
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.
5icv N-ALPHA-ACETYLTRANSF
ERASE 60

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 ILE A  46
ASP A  81
ILE A  77
ILE A  84
HIS A 138
 None
 1.33A 3phaB-5icvA:
undetectable		 3phaB-5icvA:
13.54
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)
 0.42A 3phaB-5jouA:
33.6		 3phaB-5jouA:
23.16
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.
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)
 1.01A 3phaB-5jouA:
33.6		 3phaB-5jouA:
23.16
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.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 ILE A 570
TRP A 190
ASP A 231
PHE A 127
HIS A 350
 None
 1.44A 3phaB-5kbpA:
5.0		 3phaB-5kbpA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 ASP A 282
ASP A 404
ILE A 441
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.38A 3phaB-5nn8A:
44.0		 3phaB-5nn8A:
24.72
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 9 ASP A 282
ASP A 404
ILE A 441
TRP A 481
ASP A 518
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 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.43A 3phaB-5nn8A:
44.0		 3phaB-5nn8A:
24.72
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.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 ILE A 106
ILE A  70
ILE A  55
ASP A 253
PHE A 238
 None
 1.42A 3phaB-5urbA:
undetectable		 3phaB-5urbA:
22.67
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.
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
 0.43A 3phaB-5x7sA:
19.1		 3phaB-5x7sA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A 432
ASP A 529
ILE A 492
ASP A 491
ASP A 429
 None
 1.36A 3phaB-5x7sA:
19.1		 3phaB-5x7sA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A 432
ILE A 492
ASP A 491
ASP A 429
HIS A 565
 None
 1.49A 3phaB-5x7sA:
19.1		 3phaB-5x7sA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 ASP A 217
ILE A 111
ILE A 162
ILE A 158
PHE A 137
 None
 1.17A 3phaB-5xniA:
undetectable		 3phaB-5xniA:
7.80
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.
6dus TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN

(Salmonella
enterica) 		no annotation 5 ASP A 191
ILE A 289
ASP A 325
ARG A 194
HIS A 247
 NAG  A 502 (-2.9A)
None
MG  A 503 ( 2.9A)
NAG  A 502 ( 4.5A)
None
 1.28A 3phaB-6dusA:
undetectable		 3phaB-6dusA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 4 PRO A 135
TYR A 190
TRP A 209
TRP A 142
 None
 1.28A 3phaB-3a0fA:
0.0		 3phaB-3a0fA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 PRO A  75
TRP A 305
MET A 308
TRP A 417
 None
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
 0.30A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 PRO A1159
TYR A1251
MET A1421
TRP A1523
 ACR  A   1 (-3.9A)
ACR  A   1 ( 4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
 0.81A 3phaB-3topA:
37.7		 3phaB-3topA:
24.38