SIMILAR PATTERNS OF AMINO ACIDS FOR 3WEO_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.
1dot DUCK OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		5 ALA A  94
ILE A 138
TRP A 125
PHE A 207
HIS A 116
 None
 1.25A 3weoA-1dotA:
undetectable		 3weoA-1dotA:
20.60
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.
1gny XYLANASE 10C

(Cellvibrio
japonicus) 		PF03426
(CBM_15) 		5 ALA A 240
ASN A  92
ASP A 205
ASP A 207
ASP A 146
 None
 1.19A 3weoA-1gnyA:
undetectable		 3weoA-1gnyA:
9.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gvc OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		5 ALA A  97
ILE A 141
TRP A 128
PHE A 210
HIS A 119
 None
 1.25A 3weoA-1gvcA:
undetectable		 3weoA-1gvcA:
11.35
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13183
(Fer4_8) 		5 ASP B 149
ALA A 163
ILE B 137
ASP B 185
ARG B 181
 None
 1.47A 3weoA-1qlbB:
undetectable		 3weoA-1qlbB:
13.13
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.
1t0a 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Shewanella
oneidensis) 		PF02542
(YgbB) 		5 ALA A 120
ASP A  40
ILE A  21
ASP A  74
ASP A 121
 None
 1.40A 3weoA-1t0aA:
undetectable		 3weoA-1t0aA:
9.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ASP B 159
ALA B 157
ASN B 164
ILE B  57
ARG B 110
 SO4  B3105 ( 4.8A)
None
None
None
SO4  B3105 (-2.9A)
 1.44A 3weoA-1t3qB:
undetectable		 3weoA-1t3qB:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 280
ALA A 347
ASN A  35
ILE A 398
ARG A 362
 None
 1.22A 3weoA-1vkzA:
undetectable		 3weoA-1vkzA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 622
PHE A 624
ILE A 369
ASP A  80
ASP A 623
 None
 1.36A 3weoA-1xc6A:
7.0		 3weoA-1xc6A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xso COPPER,ZINC
SUPEROXIDE DISMUTASE

(Xenopus laevis) 		PF00080
(Sod_Cu) 		5 ASP A  99
PHE A  62
ASP A 122
ARG A  77
HIS A  69
 None
None
None
None
ZN  A 152 ( 3.1A)
 1.41A 3weoA-1xsoA:
2.4		 3weoA-1xsoA:
9.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anp LEUCYL
AMINOPEPTIDASE

(Vibrio
proteolyticus) 		PF04389
(Peptidase_M28) 		5 ALA A 231
ASN A 235
ASP A 117
ILE A 255
HIS A  97
 None
None
ZN  A 501 ( 2.4A)
None
ZN  A 502 (-3.3A)
 1.47A 3weoA-2anpA:
undetectable		 3weoA-2anpA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 ALA A 148
ASN A 146
ASP A  65
ASP A  19
HIS A 360
 None
None
None
GOL  A 501 (-2.6A)
3PG  A 503 (-4.0A)
 1.43A 3weoA-2cunA:
undetectable		 3weoA-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)
 1.14A 3weoA-2cunA:
undetectable		 3weoA-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 3weoA-2d4yA:
undetectable		 3weoA-2d4yA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ALA A  88
ASP A 212
ILE A 213
TRP A 318
ASP A 320
ARG A 400
 None
None
None
None
None
BOG  A2000 (-3.1A)
 1.12A 3weoA-2g3nA:
37.4		 3weoA-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 213
PHE A 449
HIS A 480
 None
 0.66A 3weoA-2g3nA:
37.4		 3weoA-2g3nA:
26.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		9 ASP A  87
ASP A 212
ILE A 213
TRP A 318
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.29A 3weoA-2g3nA:
37.4		 3weoA-2g3nA:
26.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A  87
ASP A 212
ILE A 249
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
None
 1.44A 3weoA-2g3nA:
37.4		 3weoA-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
 1.32A 3weoA-2g3nA:
37.4		 3weoA-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.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 295
ALA A 370
ASN A  36
ILE A 421
ARG A 385
 None
None
None
None
GOL  A 804 (-4.2A)
 1.22A 3weoA-2qk4A:
undetectable		 3weoA-2qk4A:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		8 ASP A 239
ASN A 244
ASP A 412
ASP A 553
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 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.70A 3weoA-2x2iA:
34.9		 3weoA-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) 		8 ASP A 239
ASP A 412
TRP A 551
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 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.57A 3weoA-2x2iA:
34.9		 3weoA-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)
 1.34A 3weoA-2xr1A:
undetectable		 3weoA-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
 0.43A 3weoA-2xvgA:
42.2		 3weoA-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.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		5 ASP A 211
ILE A 404
ASP A 235
ARG A 219
PHE A 397
 PHD  A 359 ( 3.1A)
None
None
PO4  A1406 (-3.7A)
None
 1.23A 3weoA-2ybxA:
undetectable		 3weoA-2ybxA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.50A 3weoA-2ykyA:
2.8		 3weoA-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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 290
ALA A 361
ASN A  34
ILE A 412
ARG A 376
 None
 1.23A 3weoA-2ys6A:
undetectable		 3weoA-2ys6A:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yw2 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Aquifex
aeolicus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 290
ALA A 363
ASN A  34
ILE A 414
ARG A 378
 None
None
None
None
PO4  A 645 (-3.6A)
 1.27A 3weoA-2yw2A:
undetectable		 3weoA-2yw2A:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ALA A 342
ASN A 341
ASP A 260
ASP A 217
HIS A 618
 None
ACY  A 658 (-3.4A)
ZN  A 665 ( 2.9A)
None
ZN  A 665 ( 3.3A)
 1.31A 3weoA-3af5A:
undetectable		 3weoA-3af5A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		5 ASP A 105
PHE A  68
ASP A 128
ARG A  83
HIS A  75
 None
None
None
None
ZN  A 202 (-3.1A)
 1.43A 3weoA-3ce1A:
undetectable		 3weoA-3ce1A:
10.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 203
ASN A 207
ASP A 327
ILE A 328
TRP A 441
ASP A 443
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
None
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.9A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.71A 3weoA-3cttA:
55.0		 3weoA-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.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A  83
ASP A 170
ILE A 168
ASP A  84
PHE A 129
 None
 1.50A 3weoA-3enqA:
undetectable		 3weoA-3enqA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 3weoA-3fnbA:
undetectable		 3weoA-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 3weoA-3gz8A:
undetectable		 3weoA-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.
3ikf 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF02542
(YgbB) 		5 ALA A 120
ASP A  40
ILE A  21
ASP A  74
ASP A 121
 None
 1.39A 3weoA-3ikfA:
undetectable		 3weoA-3ikfA:
11.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		9 ASP A 231
ASP A 355
ILE A 356
TRP A 470
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 (-3.2A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.29A 3weoA-3lppA:
49.2		 3weoA-3lppA:
35.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 ASP A 231
ASP A 355
ILE A 392
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
None
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 1.44A 3weoA-3lppA:
49.2		 3weoA-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.
3mjf PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Yersinia pestis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ASP A 293
ALA A 367
ASN A  34
ILE A 419
ARG A 383
 None
None
None
None
SO4  A 508 (-3.9A)
 1.25A 3weoA-3mjfA:
undetectable		 3weoA-3mjfA:
18.56
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 624
PHE A 626
ILE A 368
ASP A  80
ASP A 625
 None
 1.30A 3weoA-3ogrA:
7.6		 3weoA-3ogrA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 ASP A  90
ALA A  79
PHE A 133
ASN A 147
ASP A 448
 None
 1.46A 3weoA-3om5A:
undetectable		 3weoA-3om5A:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ALA A 448
ASN A 431
ASP A 197
ILE A 234
ASP A 449
 None
None
ACR  A 664 (-2.9A)
None
None
 1.32A 3weoA-3pocA:
42.2		 3weoA-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) 		7 ASP A  73
ASP A 197
ILE A 198
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 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.33A 3weoA-3pocA:
42.2		 3weoA-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 198
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.75A 3weoA-3pocA:
42.2		 3weoA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		9 ASP A1157
ASP A1279
ILE A1280
TRP A1418
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 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.38A 3weoA-3topA:
45.0		 3weoA-3topA:
34.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 ALA A 165
ASN A 299
ASP A 182
ARG A 149
HIS A 157
 None
 1.12A 3weoA-3ugkA:
undetectable		 3weoA-3ugkA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		5 ASP A  60
ALA A 159
ASN A  63
ASP A  77
ARG A 157
 None
 1.49A 3weoA-3wc3A:
undetectable		 3weoA-3wc3A:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		12 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 358
TRP A 467
ASP A 469
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.06A 3weoA-3welA:
62.1		 3weoA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		9 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 396
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.38A 3weoA-3welA:
62.1		 3weoA-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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 ASP A 934
ALA A1737
PHE A1753
ASP A1767
ASP A1754
 None
 1.09A 3weoA-4aygA:
3.6		 3weoA-4aygA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 299
ILE A 341
ASP A 480
PHE A 513
HIS A 540
 None
 1.37A 3weoA-4b9yA:
37.8		 3weoA-4b9yA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		7 ASP A 299
TRP A 410
ASP A 412
ARG A 463
ASP A 480
PHE A 513
HIS A 540
 None
 0.39A 3weoA-4b9yA:
37.8		 3weoA-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.
4bn5 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		5 PHE A 294
ILE A 154
ASP A 156
ARG A 158
PHE A 180
 SR7  A1396 (-3.5A)
CNA  A1395 (-3.8A)
SR7  A1396 ( 3.6A)
CNA  A1395 ( 3.6A)
SR7  A1396 (-3.7A)
 1.31A 3weoA-4bn5A:
undetectable		 3weoA-4bn5A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ASP A 444
ALA A 447
ASN A 523
ASP A 302
ASP A 525
 DPO  A 605 (-2.6A)
None
None
None
DPO  A 605 ( 4.6A)
 1.40A 3weoA-4di5A:
undetectable		 3weoA-4di5A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 619
PHE A 621
ILE A 368
ASP A  80
ASP A 620
 None
 1.35A 3weoA-4iugA:
5.7		 3weoA-4iugA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens) 		PF00092
(VWA)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ASP A 663
PHE A 608
ILE B 482
ASP A 706
ARG A 670
 None
 1.25A 3weoA-4nenA:
2.5		 3weoA-4nenA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		5 PHE A 380
ASP A  25
ASP A 240
ARG A 242
HIS A 393
 None
 1.50A 3weoA-4oetA:
undetectable		 3weoA-4oetA:
18.63
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.
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 993
PHE A 989
ASP A 946
ASP A 921
HIS A 915
 None
None
MG  A1503 (-1.7A)
None
None
 1.47A 3weoA-4qpmA:
undetectable		 3weoA-4qpmA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvp SUPEROXIDE DISMUTASE

(Sedum alfredii) 		PF00080
(Sod_Cu) 		5 ASP A 113
PHE A  76
ASP A 136
ARG A  91
HIS A  83
 None
None
None
None
ZN  A 201 (-3.1A)
 1.46A 3weoA-4rvpA:
undetectable		 3weoA-4rvpA:
10.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		5 ASP A 138
PHE A  72
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.46A 3weoA-4rxuA:
undetectable		 3weoA-4rxuA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u10 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Aggregatibacter
actinomycetemcomitans) 		PF01522
(Polysacc_deac_1) 		5 ALA A 255
PHE A 237
ILE A 264
TRP A  75
HIS A 252
 None
 1.39A 3weoA-4u10A:
3.7		 3weoA-4u10A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.46A 3weoA-4wqeA:
undetectable		 3weoA-4wqeA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		5 ASP A 244
ASP A 191
ILE A 220
ASP A 216
ARG A  61
 None
MVI  A 305 ( 2.7A)
MVI  A 305 ( 4.3A)
MG  A 304 ( 2.9A)
MVI  A 305 ( 4.3A)
 1.47A 3weoA-4x81A:
undetectable		 3weoA-4x81A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		5 ASP A 133
ALA A 128
PHE A 122
ILE A 100
ARG A 279
 None
 1.20A 3weoA-4xeqA:
undetectable		 3weoA-4xeqA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 ALA A 290
ASP A 158
ILE A 186
ASP A  42
HIS A  97
 None
 1.44A 3weoA-4ypvA:
undetectable		 3weoA-4ypvA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z11 AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL)
PF12143
(PPO1_KFDV) 		5 ASP A 429
PHE A 425
ILE A 198
ARG A 496
ASP A 192
 None
 1.20A 3weoA-4z11A:
undetectable		 3weoA-4z11A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zg8 ENDOGLUCANASE

(Perinereis
brevicirris) 		PF00759
(Glyco_hydro_9) 		5 ASP A  47
ALA A 144
ASN A  50
ASP A  64
ARG A 142
 None
 1.50A 3weoA-4zg8A:
undetectable		 3weoA-4zg8A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.44A 3weoA-5cdcA:
undetectable		 3weoA-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
 1.45A 3weoA-5djwA:
38.5		 3weoA-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
 1.46A 3weoA-5djwA:
38.5		 3weoA-5djwA:
28.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		9 ASP A 303
ASP A 443
ILE A 444
TRP A 554
ASP A 556
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
TRS  A1001 (-4.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.31A 3weoA-5dkxA:
38.8		 3weoA-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) 		7 ASP A 303
ASP A 443
ILE A 480
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
None
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 1.36A 3weoA-5dkxA:
38.8		 3weoA-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) 		5 ASP A 303
TRP A 415
ASP A 633
PHE A 667
HIS A 693
 None
None
TRS  A1001 (-2.8A)
None
None
 1.42A 3weoA-5dkxA:
38.8		 3weoA-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) 		5 ASN A 233
ASP A 348
ASP A 523
PHE A 556
HIS A 588
 None
 1.47A 3weoA-5f7cA:
29.8		 3weoA-5f7cA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A 228
ASN A 234
ASP A 348
ASP A 460
ARG A 507
PHE A 556
 None
 0.99A 3weoA-5f7cA:
29.8		 3weoA-5f7cA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 228
ASP A 348
ASP A 460
ARG A 507
ASP A 523
PHE A 556
HIS A 588
 None
 0.46A 3weoA-5f7cA:
29.8		 3weoA-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 3weoA-5f7sA:
36.4		 3weoA-5f7sA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		9 ASP A 305
ASP A 451
ILE A 452
TRP A 562
ASP A 564
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.6A)
5GF  A1021 (-2.1A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.26A 3weoA-5hjrA:
50.2		 3weoA-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) 		7 ASP A 305
ASP A 451
ILE A 488
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
None
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 1.30A 3weoA-5hjrA:
50.2		 3weoA-5hjrA:
29.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

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

(uncultured
bacterium) 		PF13472
(Lipase_GDSL_2) 		5 ALA A 150
ASP A 172
ASP A 178
ARG A 144
ASP A 153
 SO4  A 303 (-3.2A)
None
None
None
None
 1.47A 3weoA-5jd3A:
2.3		 3weoA-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)
 1.08A 3weoA-5jouA:
36.7		 3weoA-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)
 0.39A 3weoA-5jouA:
36.7		 3weoA-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 6 ASP A 282
ALA A 284
ASP A 404
ILE A 441
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.41A 3weoA-5nn8A:
53.3		 3weoA-5nn8A:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 9 ASP A 282
ALA A 284
ASP A 404
TRP A 516
ASP A 518
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.28A 3weoA-5nn8A:
53.3		 3weoA-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.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 5 ASP A 481
ALA A  59
PHE A  60
ARG A 471
HIS A  72
 None
9UB  A 803 ( 3.8A)
9UB  A 803 ( 4.4A)
None
None
 0.95A 3weoA-5oglA:
undetectable		 3weoA-5oglA:
21.97
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.
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
 1.49A 3weoA-5uf2A:
undetectable		 3weoA-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.
5vev PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

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

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		6 TRP A 427
ASP A 429
ARG A 474
ASP A 491
PHE A 533
HIS A 565
 None
 0.49A 3weoA-5x7sA:
32.1		 3weoA-5x7sA:
21.71