SIMILAR PATTERNS OF AMINO ACIDS FOR 3W37_A_ACRA1001_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
 1.47A 3w37A-1fvpA:
undetectable		 3w37A-1fvpA:
13.35
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.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		5 ASP A  12
ALA A 119
ASN A 103
ILE A  18
ASP A  16
 CA  A 191 (-3.0A)
None
None
None
CA  A 191 (-2.8A)
 1.26A 3w37A-1i8aA:
undetectable		 3w37A-1i8aA:
13.04
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.
1srd COPPER,ZINC
SUPEROXIDE DISMUTASE

(Spinacia
oleracea) 		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 156 (-3.3A)
 1.49A 3w37A-1srdA:
undetectable		 3w37A-1srdA:
10.64
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.
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)
 1.45A 3w37A-2cunA:
undetectable		 3w37A-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)
 1.33A 3w37A-2cunA:
undetectable		 3w37A-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 3w37A-2d4yA:
undetectable		 3w37A-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
ILE A 249
TRP A 318
ASP A 320
MET A 321
ARG A 400
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
 1.13A 3w37A-2g3nA:
41.0		 3w37A-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 ALA A  90
ASP A 212
ILE A 249
PHE A 449
HIS A 480
 None
 0.82A 3w37A-2g3nA:
41.0		 3w37A-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) 		10 ASP A  87
ASP A 212
ILE A 249
TRP A 318
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
 0.26A 3w37A-2g3nA:
41.0		 3w37A-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
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.33A 3w37A-2g3nA:
41.0		 3w37A-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.
2k2o MYOFERLIN

(Homo sapiens) 		no annotation 5 ALA A 956
ASN A 957
ILE A 984
ASP A 983
ARG A1022
 None
 1.45A 3w37A-2k2oA:
undetectable		 3w37A-2k2oA:
8.52
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 ASN A  95
ASP A 413
ILE A 376
ASP A 102
HIS A 411
 ASN  A  95 ( 0.6A)
ASP  A 413 (-0.5A)
ILE  A 376 ( 0.7A)
ASP  A 102 ( 0.6A)
HIS  A 411 (-1.0A)
 1.29A 3w37A-2nvvA:
undetectable		 3w37A-2nvvA:
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ALA A 450
ASN A 452
ILE A 501
PHE A 198
HIS A 200
 None
 1.37A 3w37A-2wghA:
2.4		 3w37A-2wghA:
21.09
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.
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 3w37A-2x2iA:
32.7		 3w37A-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)
 0.66A 3w37A-2x2iA:
32.7		 3w37A-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
ASP A 412
TRP A 551
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 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.53A 3w37A-2x2iA:
32.7		 3w37A-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)
 1.31A 3w37A-2xr1A:
undetectable		 3w37A-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) 		7 ASP A 470
TRP A 580
ASP A 582
ARG A 642
ASP A 659
PHE A 692
HIS A 740
 None
 0.42A 3w37A-2xvgA:
34.7		 3w37A-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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 ASP A 169
ALA A 180
ASN A 178
ARG A 388
HIS A 375
 None
 1.49A 3w37A-2ykyA:
undetectable		 3w37A-2ykyA:
19.48
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.
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)
 1.28A 3w37A-3af5A:
undetectable		 3w37A-3af5A:
22.03
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 ASN A 207
ASP A 327
ILE A 364
TRP A 441
ASP A 443
MET A 444
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 None
3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 (-4.9A)
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 3w37A-3cttA:
47.9		 3w37A-3cttA:
36.56
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 441
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)
3CU  A1001 (-4.9A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.33A 3w37A-3cttA:
47.9		 3w37A-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
 1.21A 3w37A-3fnbA:
undetectable		 3w37A-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.
3gz8 MUTT/NUDIX FAMILY
PROTEIN

(Shewanella
oneidensis) 		PF00293
(NUDIX) 		5 ALA A  97
ASP A  23
ASP A  96
PHE A 140
HIS A 142
 None
APR  A 302 (-2.9A)
APR  A 302 (-3.6A)
APR  A 302 (-3.6A)
APR  A 302 (-4.0A)
 1.45A 3w37A-3gz8A:
undetectable		 3w37A-3gz8A:
11.05
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.
3i1l HEMAGGLUTININ-ESTERA
SE PROTEIN

(Porcine
torovirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 ASP A  60
ALA A  46
ASN A  52
ILE A 308
ASP A  45
 None
ACY  A2001 (-3.2A)
None
None
ACY  A2001 (-4.1A)
 1.09A 3w37A-3i1lA:
undetectable		 3w37A-3i1lA:
16.61
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.
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)
 1.43A 3w37A-3km2A:
undetectable		 3w37A-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) 		10 ASP A 231
ASP A 355
ILE A 392
TRP A 470
ASP A 472
MET A 473
ARG A 555
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
None
None
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.26A 3w37A-3lppA:
51.9		 3w37A-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) 		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
 1.44A 3w37A-3pocA:
35.7		 3w37A-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) 		5 ALA A 448
ASP A 197
ILE A 234
TRP A 305
ASP A 449
 None
ACR  A 664 (-2.9A)
None
None
None
 1.26A 3w37A-3pocA:
35.7		 3w37A-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)
 1.31A 3w37A-3pocA:
35.7		 3w37A-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 234
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
None
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)
 0.28A 3w37A-3pocA:
35.7		 3w37A-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) 		5 ASP A 197
ILE A 234
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
None
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.89A 3w37A-3pocA:
35.7		 3w37A-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.
3srz TOXIN A

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 ASP A 285
ALA A 265
ILE A 372
ARG A 272
ASP A 269
 UPG  A 556 (-2.8A)
UPG  A 556 (-3.7A)
None
UPG  A 556 (-2.9A)
UPG  A 556 (-2.9A)
 1.35A 3w37A-3srzA:
undetectable		 3w37A-3srzA:
20.02
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) 		6 ASP A1157
ASP A1279
ILE A1280
MET A1421
ASP A1526
PHE A1559
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
 1.40A 3w37A-3topA:
44.9		 3w37A-3topA:
34.12
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) 		10 ASP A1157
ASP A1279
ILE A1315
TRP A1418
ASP A1420
MET A1421
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
None
None
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)
 0.37A 3w37A-3topA:
44.9		 3w37A-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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 299
ASN A 334
ASP A  90
ILE A  63
ARG A 296
 None
 1.40A 3w37A-3v4bA:
2.4		 3w37A-3v4bA:
18.76
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
ASN A 237
ASP A 357
ILE A 358
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.43A 3w37A-3welA:
66.6		 3w37A-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) 		12 ASP A 232
ALA A 234
ASN A 237
ASP A 357
ILE A 396
TRP A 467
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 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.10A 3w37A-3welA:
66.6		 3w37A-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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		8 ASP A 299
ILE A 341
TRP A 410
ASP A 412
ARG A 463
ASP A 480
PHE A 513
HIS A 540
 None
 0.35A 3w37A-4b9yA:
43.0		 3w37A-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.
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)
 1.42A 3w37A-4di5A:
undetectable		 3w37A-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.
4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 ALA A 277
ASN A 275
ILE A 223
ASP A 236
PHE A 219
 None
 1.48A 3w37A-4frxA:
undetectable		 3w37A-4frxA:
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 302
ASN A 337
ASP A  92
ILE A  65
ARG A 299
 None
 1.43A 3w37A-4kwsA:
2.2		 3w37A-4kwsA:
17.85
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 503
ILE A 444
ASP A 442
ARG A 441
ASP A 490
 None
 1.47A 3w37A-4r1dA:
undetectable		 3w37A-4r1dA:
21.11
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.
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)
 1.47A 3w37A-4wqeA:
undetectable		 3w37A-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.
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
 1.30A 3w37A-5cdcA:
undetectable		 3w37A-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 ASP A 211
ASP A 321
ARG A 385
ASP A 401
PHE A 434
 None
 1.43A 3w37A-5djwA:
38.1		 3w37A-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
TRP A 319
ASP A 321
ASP A 401
PHE A 434
 None
 1.44A 3w37A-5djwA:
38.1		 3w37A-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) 		8 ASP A 303
ASP A 443
ILE A 444
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 (-3.5A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 1.44A 3w37A-5dkxA:
46.0		 3w37A-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) 		10 ASP A 303
ASP A 443
ILE A 480
TRP A 554
ASP A 556
MET A 557
ARG A 617
ASP A 633
PHE A 666
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)
TRS  A1001 (-4.0A)
 0.31A 3w37A-5dkxA:
46.0		 3w37A-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.
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
 0.44A 3w37A-5f7cA:
32.8		 3w37A-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
 0.52A 3w37A-5f7sA:
35.5		 3w37A-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.
5gai PORTAL PROTEIN

(Salmonella
virus P22) 		PF16510
(P22_portal) 		5 ALA A 456
ASN A 140
ILE A 271
ARG A 513
ASP A 509
 None
 1.36A 3w37A-5gaiA:
undetectable		 3w37A-5gaiA:
20.06
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		8 ASP A 305
ASP A 451
ILE A 452
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 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 1.46A 3w37A-5hjrA:
41.2		 3w37A-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) 		10 ASP A 305
ASP A 451
ILE A 488
TRP A 562
ASP A 564
MET A 565
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
None
5GF  A1021 (-4.6A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.27A 3w37A-5hjrA:
41.2		 3w37A-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) 		5 ASP A 305
TRP A 423
ASP A 640
PHE A 674
HIS A 700
 None
5GF  A1021 (-3.1A)
5GF  A1021 (-2.6A)
None
FMT  A1020 (-3.9A)
 1.46A 3w37A-5hjrA:
41.2		 3w37A-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.
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
 1.47A 3w37A-5jd3A:
2.1		 3w37A-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) 		6 ASN A 319
ASP A 441
TRP A 551
ASP A 553
ARG A 613
HIS A 709
 None
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-4.0A)
 1.09A 3w37A-5jouA:
34.1		 3w37A-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) 		7 ASP A 441
TRP A 551
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.36A 3w37A-5jouA:
34.1		 3w37A-5jouA:
25.54
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 11 ASP A 282
ALA A 284
ASP A 404
ILE A 441
TRP A 516
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 (-4.3A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.29A 3w37A-5nn8A:
47.7		 3w37A-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.
5nnl INACTIVE
DIHYDROOROTASE-LIKE
DOMAIN

(Chaetomium
thermophilum) 		no annotation 5 ASP A1696
ALA A1531
ASN A1529
ILE A1658
PHE A1617
 None
 1.14A 3w37A-5nnlA:
undetectable		 3w37A-5nnlA:
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.
5uf2 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Neisseria
gonorrhoeae) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A  84
ASP A 171
ILE A 169
ASP A  85
PHE A 130
 None
None
None
EDO  A 306 (-3.5A)
None
 1.48A 3w37A-5uf2A:
undetectable		 3w37A-5uf2A:
13.66
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		6 TRP A 427
ASP A 429
ARG A 474
ASP A 491
PHE A 533
HIS A 565
 None
 0.48A 3w37A-5x7sA:
18.4		 3w37A-5x7sA:
21.71