SIMILAR PATTERNS OF AMINO ACIDS FOR 2QMJ_A_ACRA1001

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		5 TRP A 193
ASP A 267
ASP A 304
PHE A 336
ALA A  69
 RNS  A1462 (-3.2A)
ZN  A 450 (-3.0A)
MN  A 451 (-2.8A)
RNS  A1462 (-4.2A)
None
 1.24A 2qmjA-1de6A:
4.8		 2qmjA-1de6A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanopyrus
kandleri) 		PF02241
(MCR_beta)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02783
(MCR_beta_N) 		5 ASP B 229
ASN B 304
ASP A 466
ALA B 390
HIS B 385
 None
 1.48A 2qmjA-1e6vB:
undetectable		 2qmjA-1e6vB:
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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 ILE A 168
ASP A  97
ASP A  48
PHE A   9
HIS A 131
 None
 1.39A 2qmjA-1fvpA:
undetectable		 2qmjA-1fvpA:
14.32
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF13247
(Fer4_11) 		5 ILE B 144
ILE B 141
ASP B 142
ALA B  20
HIS B  25
 None
None
None
None
SF4  B1012 (-4.0A)
 1.43A 2qmjA-1h0hB:
undetectable		 2qmjA-1h0hB:
13.75
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 ASN A 337
ILE A 372
ASP A  56
PHE A  92
HIS A 123
 None
None
None
KCX  A 150 ( 3.7A)
None
 1.42A 2qmjA-1k1dA:
2.6		 2qmjA-1k1dA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A 241
ASP A 426
ASP A 369
PHE A 186
ALA A 206
 None
 1.33A 2qmjA-1m53A:
14.2		 2qmjA-1m53A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		5 ASP A 173
ILE A 208
ILE A 186
ARG A 191
ASP A  52
 None
 1.21A 2qmjA-1nnhA:
undetectable		 2qmjA-1nnhA:
16.26
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.
1o4s ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		5 ASP A 205
ILE A 247
ILE A  87
ARG A  82
ALA A 278
 None
 1.15A 2qmjA-1o4sA:
undetectable		 2qmjA-1o4sA:
17.95
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.
1ovw ENDOGLUCANASE I

(Fusarium
oxysporum) 		PF00840
(Glyco_hydro_7) 		5 ASN A 183
ILE A  31
ILE A  85
ALA A 163
HIS A  38
 None
None
None
PCA  A   1 ( 4.3A)
None
 1.47A 2qmjA-1ovwA:
undetectable		 2qmjA-1ovwA:
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 ASP A 266
ASP A 182
ILE A 324
ALA A  66
HIS A  68
 None
ZN  A 372 (-2.5A)
None
None
ZN  A 372 (-3.5A)
 1.36A 2qmjA-1vheA:
undetectable		 2qmjA-1vheA:
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 ASP A 531
ILE A 163
PHE A  42
ALA A  41
HIS A  81
 None
 1.50A 2qmjA-1wkbA:
undetectable		 2qmjA-1wkbA:
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.
1y0y FRV OPERON PROTEIN
FRVX

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		5 ASP A 264
ASP A 182
ILE A 322
ALA A  66
HIS A  68
 None
ZN  A1002 (-2.4A)
None
None
ZN  A1001 ( 3.4A)
 1.44A 2qmjA-1y0yA:
undetectable		 2qmjA-1y0yA:
16.95
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 ASN A 346
ILE A 430
PHE A 294
ALA A 293
HIS A 282
 None
 1.39A 2qmjA-2ftwA:
2.1		 2qmjA-2ftwA:
21.23
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A  87
ASP A 212
ILE A 213
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
None
 1.37A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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
 0.46A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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) 		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
 1.34A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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) 		5 ASP A 445
ILE A 249
ILE A 213
ASP A 416
ALA A  88
 None
None
None
BOG  A2000 (-3.0A)
None
 1.33A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 ASP A  38
ILE A  19
ASP A  72
ASP A 119
ALA A 117
 None
 1.19A 2qmjA-2gzlA:
undetectable		 2qmjA-2gzlA:
11.39
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 ASN A 365
ILE A 497
ILE A 145
ASP A 402
ALA A 404
 None
 1.31A 2qmjA-2hj0A:
2.0		 2qmjA-2hj0A:
22.28
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.
2iic ALPHA-11 GIARDIN

(Giardia
intestinalis) 		no annotation 5 ASP A  89
ASN A 244
ILE A  99
ASP A  95
ARG A 254
 None
 1.47A 2qmjA-2iicA:
undetectable		 2qmjA-2iicA:
16.90
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.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ASN A 315
ASP A 445
ILE A 449
PHE A 321
ALA A 322
 None
 1.47A 2qmjA-2o3jA:
undetectable		 2qmjA-2o3jA:
20.09
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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ILE A 379
ILE A 376
ASP A 375
ARG A 373
ALA A 424
 None
 1.48A 2qmjA-2ongA:
undetectable		 2qmjA-2ongA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r1f PREDICTED
AMINODEOXYCHORISMATE
LYASE

(Escherichia
coli) 		PF02618
(YceG) 		5 ASN A 171
ASP A 140
ARG A 128
ASP A 174
ALA A 176
 None
 0.89A 2qmjA-2r1fA:
undetectable		 2qmjA-2r1fA:
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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ASN A 292
ILE A 227
ILE A 216
PHE A 318
HIS A 241
 None
None
None
None
CO  A4113 ( 3.4A)
 1.41A 2qmjA-2r5vA:
undetectable		 2qmjA-2r5vA:
17.64
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.
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)
 0.88A 2qmjA-2x2iA:
33.5		 2qmjA-2x2iA:
24.02
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.
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
 0.48A 2qmjA-2xvgA:
35.5		 2qmjA-2xvgA:
24.61
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.
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
 0.92A 2qmjA-2xvgA:
35.5		 2qmjA-2xvgA:
24.61
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		5 ASP A 183
ASN A 318
ILE A 147
ASP A 148
ASP A 310
 ZN  A 700 (-2.4A)
SO4  A 801 (-3.8A)
None
None
ZN  A 700 ( 2.6A)
 1.17A 2qmjA-2yheA:
undetectable		 2qmjA-2yheA:
21.98
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.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASN A 406
ASP A  33
ILE A  39
ASP A 382
HIS A   9
 None
 1.48A 2qmjA-3acpA:
undetectable		 2qmjA-3acpA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bf0 PROTEASE 4

(Escherichia
coli) 		PF01343
(Peptidase_S49) 		5 ASP A 524
ILE A 506
ILE A 503
ARG A 496
ALA A 407
 None
 1.15A 2qmjA-3bf0A:
2.9		 2qmjA-3bf0A:
20.96
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) 		8 ASP A 203
ASN A 207
ASP A 327
ILE A 328
ASP A 542
PHE A 575
ALA A 576
HIS A 600
 GOL  A3001 (-2.6A)
None
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
None
3CU  A1001 (-3.9A)
 1.44A 2qmjA-3cttA:
61.8		 2qmjA-3cttA:
100.00
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) 		12 ASP A 203
ASN A 207
ASP A 327
ILE A 328
ILE A 364
TRP A 406
ASP A 443
ARG A 526
ASP A 542
PHE A 575
ALA A 576
HIS A 600
 GOL  A3001 (-2.6A)
None
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)
None
3CU  A1001 (-3.9A)
 0.33A 2qmjA-3cttA:
61.8		 2qmjA-3cttA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 327
ILE A 364
ASP A 571
PHE A 575
ALA A 576
 3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 ( 4.8A)
3CU  A1001 (-4.5A)
None
 1.38A 2qmjA-3cttA:
61.8		 2qmjA-3cttA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 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)
 1.17A 2qmjA-3cttA:
61.8		 2qmjA-3cttA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ILE A 364
ARG A 598
ASP A 571
PHE A 575
ALA A 576
 3CU  A1001 (-4.5A)
3CU  A1001 ( 4.7A)
3CU  A1001 ( 4.8A)
3CU  A1001 (-4.5A)
None
 1.43A 2qmjA-3cttA:
61.8		 2qmjA-3cttA:
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.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 271
ASP A  24
ARG A 156
ASP A 105
HIS A 129
 None
 1.38A 2qmjA-3efmA:
undetectable		 2qmjA-3efmA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 ASP A  40
ILE A  21
ASP A  74
ASP A 121
ALA A 119
 None
 1.23A 2qmjA-3f6mA:
undetectable		 2qmjA-3f6mA:
11.60
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.
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
 1.24A 2qmjA-3gtdA:
undetectable		 2qmjA-3gtdA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ikf 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF02542
(YgbB) 		5 ASP A  40
ILE A  21
ASP A  74
ASP A 121
ALA A 119
 None
 1.20A 2qmjA-3ikfA:
undetectable		 2qmjA-3ikfA:
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.
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
 1.32A 2qmjA-3j9dA:
undetectable		 2qmjA-3j9dA:
21.94
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		5 ASN A 237
ILE A  88
ILE A 247
PHE A 281
ALA A 280
 None
 1.37A 2qmjA-3l8aA:
undetectable		 2qmjA-3l8aA:
18.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASN A 239
ASP A 355
ILE A 356
ILE A 392
TRP A 435
ASP A 472
ARG A 555
 None
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
None
TRS  A6001 ( 4.6A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 4.6A)
 1.24A 2qmjA-3lppA:
59.3		 2qmjA-3lppA:
57.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASN A 239
ASP A 394
ILE A 392
ILE A 356
ASP A 231
 None
None
None
TRS  A6001 ( 4.0A)
None
 1.36A 2qmjA-3lppA:
59.3		 2qmjA-3lppA:
57.91
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 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)
 0.26A 2qmjA-3lppA:
59.3		 2qmjA-3lppA:
57.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 571
ASP A 394
ILE A 392
ILE A 356
ASP A 231
 TRS  A6001 ( 3.7A)
None
None
TRS  A6001 ( 4.0A)
None
 1.20A 2qmjA-3lppA:
59.3		 2qmjA-3lppA:
57.91
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.
3m33 UNCHARACTERIZED
PROTEIN

(Deinococcus
radiodurans) 		no annotation 5 ASP A  36
ARG A 115
ASP A  59
ALA A  61
HIS A  56
 None
GOL  A 233 (-3.8A)
GOL  A 233 (-3.3A)
None
CL  A 224 (-4.3A)
 1.40A 2qmjA-3m33A:
undetectable		 2qmjA-3m33A:
14.70
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.
3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Clostridium
perfringens) 		PF01259
(SAICAR_synt) 		5 ASP A 176
ILE A 175
TRP A 202
ASP A 213
ARG A 217
 AMP  A 242 (-3.4A)
None
None
None
None
 1.36A 2qmjA-3nuaA:
undetectable		 2qmjA-3nuaA:
14.73
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.
3oum TOXOFLAVIN-DEGRADING
ENZYME

(Paenibacillus
polymyxa) 		PF00903
(Glyoxalase) 		5 ILE A  61
ILE A 112
ASP A 106
PHE A  37
ALA A  36
 None
 1.39A 2qmjA-3oumA:
undetectable		 2qmjA-3oumA:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.24A 2qmjA-3pocA:
35.8		 2qmjA-3pocA:
24.92
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		9 ASP A  73
ASP A 197
ILE A 198
ILE A 234
TRP A 271
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 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)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.35A 2qmjA-3pocA:
35.8		 2qmjA-3pocA:
24.92
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.
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
 1.17A 2qmjA-3pocA:
35.8		 2qmjA-3pocA:
24.92
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.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		5 ASP A  86
ILE A  42
ASP A  89
ARG A  62
ALA A 286
 None
 1.28A 2qmjA-3pzlA:
undetectable		 2qmjA-3pzlA:
16.99
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.
3q33 HISTONE
ACETYLTRANSFERASE
RTT109

(Saccharomyces
cerevisiae) 		PF08214
(HAT_KAT11) 		5 ASN A  36
ILE A 185
ASP A  78
ARG A  41
ALA A  31
 None
 1.12A 2qmjA-3q33A:
undetectable		 2qmjA-3q33A:
18.95
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.
3qyj ALR0039 PROTEIN

(Nostoc sp. PCC
7120) 		PF00561
(Abhydrolase_1) 		5 ASP A 218
ASN A  76
ASP A 104
ILE A 129
ASP A 210
 None
 1.49A 2qmjA-3qyjA:
undetectable		 2qmjA-3qyjA:
14.87
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
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)
 1.22A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
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 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)
 0.39A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
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) 		5 ASP A1526
ASP A1317
ILE A1315
ILE A1280
ASP A1157
 ACR  A   1 (-2.8A)
ACR  A   1 ( 4.6A)
None
ACR  A   1 (-4.1A)
ACR  A   1 (-2.6A)
 1.08A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ASN A 237
ASP A 469
ARG A 552
ASP A 568
ALA A 570
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
None
 1.20A 2qmjA-3welA:
51.8		 2qmjA-3welA:
36.56
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) 		11 ASP A 232
ASN A 237
ASP A 357
ILE A 358
ILE A 396
ASP A 469
ARG A 552
ASP A 568
PHE A 601
ALA A 602
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 ( 4.4A)
ACR  A1001 (-4.1A)
 0.68A 2qmjA-3welA:
51.8		 2qmjA-3welA:
36.56
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) 		11 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
ALA A 602
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 ( 4.4A)
ACR  A1001 (-4.1A)
 0.31A 2qmjA-3welA:
51.8		 2qmjA-3welA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ASP A 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)
 1.13A 2qmjA-3welA:
51.8		 2qmjA-3welA:
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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 ASN A  81
ARG A 141
ASP A  77
ALA A  69
HIS A  75
 NAG  A 608 (-1.8A)
None
None
None
None
 1.50A 2qmjA-3wheA:
undetectable		 2qmjA-3wheA:
20.82
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ASN A 312
ILE A 247
ILE A 236
PHE A 338
HIS A 261
 None
None
RMN  A1369 ( 4.8A)
None
CO  A1368 ( 3.3A)
 1.42A 2qmjA-3zgjA:
undetectable		 2qmjA-3zgjA:
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.
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
ASP A 412
ARG A 463
ASP A 480
PHE A 513
ALA A 514
HIS A 540
 None
 0.57A 2qmjA-4b9yA:
39.5		 2qmjA-4b9yA:
26.11
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.
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 509
PHE A 513
ALA A 514
 None
 1.17A 2qmjA-4b9yA:
39.5		 2qmjA-4b9yA:
26.11
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ASP A1344
ASP A1467
ILE A1533
ARG A1460
ALA A1407
 None
 1.49A 2qmjA-4bedA:
undetectable		 2qmjA-4bedA:
19.59
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ASP A 213
ASP A  99
ARG A 102
ALA A 239
HIS A 225
 None
None
SO4  A1396 (-3.1A)
None
None
 1.38A 2qmjA-4cnkA:
undetectable		 2qmjA-4cnkA:
19.72
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.
4fe2 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Streptococcus
pneumoniae) 		PF01259
(SAICAR_synt) 		5 ASP A 174
ILE A 173
TRP A 201
ASP A 211
ARG A 215
 AIR  A 301 (-2.9A)
None
None
None
None
 1.42A 2qmjA-4fe2A:
undetectable		 2qmjA-4fe2A:
14.43
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 ASN A  46
ASP A 159
ILE A 193
ASP A 262
ALA A 122
 None
None
None
ILE  A 401 (-2.8A)
None
 1.34A 2qmjA-4gnrA:
2.9		 2qmjA-4gnrA:
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.
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
 1.28A 2qmjA-4iugA:
5.8		 2qmjA-4iugA:
21.63
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 ILE A 640
ILE A 612
ARG A 621
ASP A 147
ALA A   9
 None
 1.24A 2qmjA-4jc8A:
undetectable		 2qmjA-4jc8A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 ASP A 100
ILE A  38
ASP A  50
ASP A 207
ALA A 209
 ZN  A 301 (-3.1A)
None
None
ZN  A 301 ( 2.1A)
None
 1.46A 2qmjA-4keqA:
undetectable		 2qmjA-4keqA:
14.48
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum) 		PF00753
(Lactamase_B) 		5 ASP A 100
ILE A  38
ILE A  49
ASP A  50
ALA A 209
 ZN  A 301 (-3.1A)
None
None
None
None
 1.45A 2qmjA-4keqA:
undetectable		 2qmjA-4keqA:
14.48
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.
4lmh EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT OMCA

(Shewanella
oneidensis) 		no annotation 5 ASP A 450
ASN A 582
TRP A 660
ARG A 558
HIS A 639
 None
None
None
HEC  A 808 (-4.2A)
HEC  A 808 (-3.1A)
 1.38A 2qmjA-4lmhA:
undetectable		 2qmjA-4lmhA:
20.35
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.
4paf TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 ASP A 209
ILE A 171
ILE A 177
ALA A 161
HIS A 232
 None
 1.40A 2qmjA-4pafA:
undetectable		 2qmjA-4pafA:
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.
4rvp SUPEROXIDE DISMUTASE

(Sedum alfredii) 		PF00080
(Sod_Cu) 		5 ASP A 113
ASN A 122
ASP A 136
ARG A  91
HIS A  83
 None
None
None
None
ZN  A 201 (-3.1A)
 1.47A 2qmjA-4rvpA:
undetectable		 2qmjA-4rvpA:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ASN A 737
ASP A 310
ILE A 323
ILE A 374
ASP A 318
 None
None
None
CNP  A 760 ( 4.4A)
CNP  A 760 (-2.6A)
 1.33A 2qmjA-4sliA:
undetectable		 2qmjA-4sliA:
22.09
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 ASP A 197
ASN A 276
ILE A 226
ILE A 163
TRP A 165
 None
 1.35A 2qmjA-5a4jA:
2.7		 2qmjA-5a4jA:
21.61
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.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Paraburkholderia
xenovorans) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ASN A 337
ILE A 216
ILE A 350
TRP A 214
PHE A 227
 None
 1.47A 2qmjA-5aewA:
undetectable		 2qmjA-5aewA:
18.52
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 211
ILE A 212
TRP A 285
ASP A 321
ARG A 385
 None
 1.04A 2qmjA-5djwA:
36.2		 2qmjA-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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		6 ASP A 211
TRP A 285
ASP A 321
ARG A 385
ASP A 401
PHE A 434
 None
 1.31A 2qmjA-5djwA:
36.2		 2qmjA-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) 		7 ASP A 303
ASP A 443
ILE A 444
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 1.35A 2qmjA-5dkxA:
39.9		 2qmjA-5dkxA:
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.
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)
 0.36A 2qmjA-5dkxA:
39.9		 2qmjA-5dkxA:
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.
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
 1.32A 2qmjA-5dkxA:
39.9		 2qmjA-5dkxA:
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		5 ASP A 266
ASP A 180
ILE A 324
ALA A  64
HIS A  66
 None
CO  A 401 ( 2.3A)
None
None
CO  A 402 (-3.2A)
 1.35A 2qmjA-5ds0A:
undetectable		 2qmjA-5ds0A:
18.00
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASN A 233
ASP A 348
ASP A 460
ARG A 507
ASP A 523
PHE A 556
HIS A 588
 None
 1.12A 2qmjA-5f7cA:
31.0		 2qmjA-5f7cA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.45A 2qmjA-5f7cA:
31.0		 2qmjA-5f7cA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.57A 2qmjA-5f7sA:
34.5		 2qmjA-5f7sA:
22.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.35A 2qmjA-5hjrA:
43.0		 2qmjA-5hjrA:
30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 1.34A 2qmjA-5hjrA:
43.0		 2qmjA-5hjrA:
30.87
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 RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP A 592
ILE A 612
ILE A 607
ARG A 590
ALA A 749
 None
 1.49A 2qmjA-5ip9A:
undetectable		 2qmjA-5ip9A:
19.04
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		7 ASN A 319
ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.91A 2qmjA-5jouA:
35.2		 2qmjA-5jouA:
23.92
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASN A 319
ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.17A 2qmjA-5jouA:
35.2		 2qmjA-5jouA:
23.92
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.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT
HYDROQUINONE
DIOXYGENASE SMALL
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 5 ASP B 302
ASN B  83
ILE A  21
ASP A  24
ARG B 286
 None
 1.46A 2qmjA-5m22B:
undetectable		 2qmjA-5m22B:
16.84
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
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)
 0.25A 2qmjA-5nn8A:
51.4		 2qmjA-5nn8A:
44.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 5 ASP A 931
ILE A 809
ILE A 793
ARG A 934
ALA A  19
 A  B  -6 ( 3.9A)
None
None
None
None
 1.47A 2qmjA-5wlhA:
undetectable		 2qmjA-5wlhA:
20.87
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.
5wrr PSEUDOKINASE FAM20A

(Homo sapiens) 		PF06702
(Fam20C) 		5 ASP A 250
ILE A 255
ASP A 256
ARG A 259
ALA A 317
 None
 1.49A 2qmjA-5wrrA:
undetectable		 2qmjA-5wrrA:
21.10
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.
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
 0.32A 2qmjA-5x7sA:
19.3		 2qmjA-5x7sA:
21.10
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
TRANSCRIPTION
ELONGATION FACTOR 1
HOMOLOG

(Komagataella
pastoris;
Komagataella
phaffii) 		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)
PF05129
(Elf1) 		5 ILE B 342
ASP B 324
ARG B 328
ASP M  72
ALA M  76
 None
 1.29A 2qmjA-5xogB:
undetectable		 2qmjA-5xogB:
21.90
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.
6d9h CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1
GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(I) SUBUNIT
ALPHA-2

(Homo sapiens) 		no annotation 5 ILE R 292
ASP A 351
ARG R 108
ASP R 104
ALA R 100
 None
 1.04A 2qmjA-6d9hR:
undetectable		 2qmjA-6d9hR:
7.18
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		4 THR A 325
TYR A 262
TRP A 287
THR A 323
 None
 1.44A 2qmjA-1uwiA:
7.2		 2qmjA-1uwiA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 THR A 135
TYR A 232
TRP A 176
THR A 183
 None
FAD  A 699 ( 3.8A)
FAD  A 699 (-4.0A)
None
 1.46A 2qmjA-2ddhA:
0.0		 2qmjA-2ddhA:
22.40
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) 		5 TYR A 184
TRP A 318
MET A 321
TRP A 413
THR A 418
 BOG  A2000 (-4.5A)
None
BOG  A2000 ( 4.0A)
None
None
 0.34A 2qmjA-2g3nA:
40.7		 2qmjA-2g3nA:
27.40
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.
2n40 TUMOR NECROSIS
FACTOR-INDUCIBLE
GENE 6 PROTEIN

(Homo sapiens) 		PF00193
(Xlink) 		4 TYR A  59
TRP A  88
TRP A  51
THR A  32
 None
 1.39A 2qmjA-2n40A:
undetectable		 2qmjA-2n40A:
9.24
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.
3a62 RIBOSOMAL PROTEIN S6
KINASE BETA-1

(Homo sapiens) 		PF00069
(Pkinase) 		4 THR A 301
TYR A 284
TRP A 277
THR A 256
 None
 1.48A 2qmjA-3a62A:
0.0		 2qmjA-3a62A:
18.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 THR A 205
TYR A 299
TRP A 441
MET A 444
TRP A 539
THR A 544
 None
3CU  A1001 (-3.6A)
3CU  A1001 (-4.9A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.6A)
None
 0.26A 2qmjA-3cttA:
61.8		 2qmjA-3cttA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 470
MET A 473
TRP A 568
THR A 573
 None
TRS  A6001 ( 3.7A)
None
None
 0.27A 2qmjA-3lppA:
59.3		 2qmjA-3lppA:
57.91
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.
3s25 HYPOTHETICAL
7-BLADED
BETA-PROPELLER-LIKE
PROTEIN

([Eubacterium]
rectale) 		PF16472
(DUF5050) 		4 THR A  61
TYR A 303
MET A  70
THR A 307
 None
None
None
EDO  A 333 ( 4.5A)
 1.02A 2qmjA-3s25A:
undetectable		 2qmjA-3s25A:
16.69
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) 		5 TYR A1251
TRP A1418
MET A1421
TRP A1523
THR A1528
 ACR  A   1 ( 4.1A)
None
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
ACR  A   1 ( 4.6A)
 0.31A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 THR A 229
TYR A 208
TRP A 201
THR A 179
 None
 1.17A 2qmjA-3udbA:
undetectable		 2qmjA-3udbA:
16.51
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		4 THR A  89
TYR A 183
TRP A 241
THR A 175
 None
 1.41A 2qmjA-3wc3A:
0.3		 2qmjA-3wc3A:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		4 THR A 328
TYR A 349
TRP A 171
MET A 277
 None
 1.48A 2qmjA-4u4eA:
undetectable		 2qmjA-4u4eA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 TRP A 554
MET A 557
TRP A 630
THR A 635
 TRS  A1001 (-4.9A)
TRS  A1001 (-3.5A)
None
None
 0.32A 2qmjA-5dkxA:
40.0		 2qmjA-5dkxA:
27.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 562
MET A 565
TRP A 637
THR A 642
 5GF  A1021 (-4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 ( 4.6A)
None
 0.39A 2qmjA-5hjrA:
43.1		 2qmjA-5hjrA:
30.87
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		4 THR A 184
TYR A 167
TRP A 353
THR A 181
 None
None
MLR  A 401 (-2.6A)
None
 1.37A 2qmjA-5m28A:
undetectable		 2qmjA-5m28A:
17.22
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 237
TYR A 375
TRP A 311
THR A 270
 None
 1.42A 2qmjA-5necA:
0.3		 2qmjA-5necA:
7.72