SIMILAR PATTERNS OF AMINO ACIDS FOR 1AGM_A_ACRA496

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.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		5 ALA A  38
ASP A  49
GLY A 103
TYR A 117
GLU A  35
 None
 1.33A 1agmA-1cbgA:
undetectable		 1agmA-1cbgA:
22.94
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.
1ef1 MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 ALA A 222
TYR A 291
ASP A 221
GLU A 244
GLU C 505
 None
 1.18A 1agmA-1ef1A:
undetectable		 1agmA-1ef1A:
19.37
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
 0.62A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		10 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.32A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		6 ALA A 319
TYR A 337
TRP A 390
GLU A 439
TYR A 581
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
None
 0.99A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
 0.72A 1agmA-1ulvA:
31.6		 1agmA-1ulvA:
19.35
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		10 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
GLU A 628
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.48A 1agmA-1ulvA:
31.6		 1agmA-1ulvA:
19.35
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 ALA A 182
TYR A 165
ASP A 181
GLY A 174
GLU A 128
 None
 1.45A 1agmA-2btmA:
undetectable		 1agmA-2btmA:
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ALA A 243
ARG A 151
ASP A 153
GLU A  74
ARG A 102
 None
 1.44A 1agmA-2csdA:
undetectable		 1agmA-2csdA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 200
TYR A 195
GLU A 174
ARG A 168
TRP A 164
 None
 1.39A 1agmA-2eq9A:
undetectable		 1agmA-2eq9A:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
GLU A 456
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
ACR  A 995 ( 4.6A)
 0.21A 1agmA-2f6dA:
45.9		 1agmA-2f6dA:
34.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
GLU A 404
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
BTB  A 620 (-4.0A)
 0.27A 1agmA-2vn7A:
62.4		 1agmA-2vn7A:
47.36
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 TYR A 115
TRP A 525
GLY A 104
TYR A  95
GLU A 496
 None
 1.27A 1agmA-2wpgA:
undetectable		 1agmA-2wpgA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 TYR A 114
TRP A 524
GLY A 103
TYR A  94
GLU A 495
 None
 1.29A 1agmA-3czeA:
undetectable		 1agmA-3czeA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TYR A 125
ARG A 538
ASP A 535
GLY A 120
GLU A 113
 None
 1.31A 1agmA-3dkhA:
undetectable		 1agmA-3dkhA:
24.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		12 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
GLU A 424
 TRS  A 701 ( 3.8A)
TRS  A 701 (-4.5A)
TRS  A 701 (-3.8A)
TRS  A 701 (-3.8A)
TRS  A 701 (-2.8A)
None
None
GOL  A 801 (-3.6A)
GOL  A 801 (-3.3A)
GOL  A 801 ( 4.1A)
None
None
 0.19A 1agmA-3eqaA:
70.0		 1agmA-3eqaA:
95.11
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.
3on6 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 TRP A 107
ARG A 109
ASP A 110
TRP A 403
GLU A 439
 EDO  A 492 (-3.3A)
None
EDO  A 492 (-3.0A)
None
None
 0.72A 1agmA-3on6A:
24.3		 1agmA-3on6A:
20.94
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.
3q2r GLIOMA
PATHOGENESIS-RELATED
PROTEIN 1

(Homo sapiens) 		PF00188
(CAP) 		5 ALA A  52
ARG A  45
TRP A 143
GLY A 179
TYR A 124
 None
 1.29A 1agmA-3q2rA:
undetectable		 1agmA-3q2rA:
19.08
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		5 ASP A  44
GLY A 164
GLU A  36
ARG A  38
TYR A 470
 None
 1.29A 1agmA-3ubrA:
undetectable		 1agmA-3ubrA:
19.21
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		5 ALA A 206
TRP A 265
GLY A 330
GLU A 337
ARG A 280
 None
 1.07A 1agmA-3wkhA:
22.1		 1agmA-3wkhA:
21.69
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.
4kfz LMO-2

(Homo sapiens) 		PF00412
(LIM) 		5 TYR A  41
GLY A  68
GLU A  66
ARG A  63
GLU A  52
 None
 1.17A 1agmA-4kfzA:
undetectable		 1agmA-4kfzA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bn4 NEQ263
V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ALA A 378
GLU A 327
ARG A 294
TYR B 256
GLU A 252
 None
None
None
None
MG  A 602 (-3.6A)
 1.27A 1agmA-5bn4A:
undetectable		 1agmA-5bn4A:
22.58
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 ALA A1062
ARG A1077
ASP A1078
TRP A1430
GLU A1492
 None
None
None
None
CEX  A2002 ( 4.9A)
 0.94A 1agmA-5d0fA:
17.6		 1agmA-5d0fA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 ALA A  36
TYR A  47
ARG A  53
ASP A  54
GLU A 414
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-4.4A)
GOL  A 502 (-2.9A)
GOL  A 502 ( 4.9A)
 0.61A 1agmA-5gooA:
22.1		 1agmA-5gooA:
21.91
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 ALA A  36
TYR A  47
ASP A  54
TYR A 370
GLU A 414
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-2.9A)
FRU  A 501 (-4.8A)
GOL  A 502 ( 4.9A)
 1.05A 1agmA-5gooA:
22.1		 1agmA-5gooA:
21.91
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 ALA A  36
TYR A  47
ASP A  54
TYR A 370
TRP A 376
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-2.9A)
FRU  A 501 (-4.8A)
None
 1.09A 1agmA-5gooA:
22.1		 1agmA-5gooA:
21.91
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.
5npu ANC27

(synthetic
construct) 		no annotation 5 ALA A 387
ARG A  62
GLY A 218
GLU A 226
ARG A 406
 None
 1.38A 1agmA-5npuA:
undetectable		 1agmA-5npuA:
9.36
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.
5oie -

(-) 		no annotation 5 ALA A  31
TRP A  40
ASP A  43
TYR A 375
TRP A 381
 GOL  A 501 ( 4.0A)
GOL  A 501 ( 4.0A)
GOL  A 501 (-2.9A)
None
None
 0.99A 1agmA-5oieA:
18.0		 1agmA-5oieA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oie -

(-) 		no annotation 5 ALA A  31
TYR A  36
ASP A  43
TYR A 375
TRP A 381
 GOL  A 501 ( 4.0A)
GOL  A 501 ( 3.7A)
GOL  A 501 (-2.9A)
None
None
 1.00A 1agmA-5oieA:
18.0		 1agmA-5oieA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A  37
ARG A  54
ASP A  55
TYR A 371
GLU A 415
 GOL  A 501 ( 3.8A)
GOL  A 501 (-4.1A)
GOL  A 501 (-2.7A)
None
None
 1.33A 1agmA-5z73A:
21.1		 1agmA-5z73A:
10.68
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT

(Homo sapiens) 		no annotation 5 ALA A 808
ASP A 811
GLU A 680
ARG A 714
GLU A 710
 None
 1.49A 1agmA-6c9mA:
4.1		 1agmA-6c9mA:
8.93
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
B3P  A 652 ( 4.6A)
 0.36A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.1A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
ACR  A 801 (-4.4A)
 0.34A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 12 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
GLU A 424
 None
 0.19A 1agmA-6frvA:
68.5		 1agmA-6frvA:
83.87
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.
1f2n CAPSID PROTEIN

(Rice yellow
mottle virus) 		PF00729
(Viral_coat) 		4 SER A 189
TRP A  98
LEU A  63
TRP A 103
 None
 1.47A 1agmA-1f2nA:
undetectable		 1agmA-1f2nA:
19.57
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		4 TRP A 437
GLU A 438
LEU A 652
TRP A 654
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
None
 0.48A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP2)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		4 SER 2 198
GLU 1  38
LEU 1  34
TRP 3 155
 None
 1.42A 1agmA-1r1a2:
undetectable		 1agmA-1r1a2:
20.68
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		4 TRP A 429
GLU A 430
LEU A 653
TRP A 655
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.42A 1agmA-1ulvA:
31.7		 1agmA-1ulvA:
19.35
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		4 SER A 282
TRP A 217
LEU A 275
TRP A 262
 None
 1.20A 1agmA-2dh3A:
undetectable		 1agmA-2dh3A:
23.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		4 TRP A 209
GLU A 210
LEU A 471
TRP A 473
 None
ACR  A 995 (-3.7A)
None
None
 0.16A 1agmA-2f6dA:
45.9		 1agmA-2f6dA:
34.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 TRP A 178
GLU A 179
LEU A 419
TRP A 421
 None
BTB  A 620 (-3.6A)
None
None
 0.37A 1agmA-2vn7A:
62.4		 1agmA-2vn7A:
47.36
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 SER A 265
TRP A 485
GLU A 488
LEU A 225
 None
 1.48A 1agmA-3ckbA:
undetectable		 1agmA-3ckbA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 SER A 143
TRP A 202
GLU A 203
LEU A 439
TRP A 441
 None
None
TRS  A 701 ( 3.8A)
None
None
 0.57A 1agmA-3eqaA:
70.0		 1agmA-3eqaA:
95.11
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 SER A 390
TRP A 653
GLU A 651
LEU A 620
 None
 1.40A 1agmA-3o8oA:
undetectable		 1agmA-3o8oA:
21.77
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 SER A 595
GLU A 662
LEU A 611
TRP A 614
 None
 1.50A 1agmA-4cgtA:
undetectable		 1agmA-4cgtA:
21.56
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.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		4 SER E 119
GLU E 108
LEU E 102
TRP E  63
 None
 1.47A 1agmA-4f52E:
undetectable		 1agmA-4f52E:
20.19
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.
4k00 1,4-DIHYDROXY-2-NAPH
THOYL-COA HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF03061
(4HBT) 		4 SER A  62
TRP A  37
LEU A 124
TRP A 128
 None
 1.26A 1agmA-4k00A:
undetectable		 1agmA-4k00A:
13.46
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.
4r7k HYPOTHETICAL PROTEIN
JHP0584

(Helicobacter
pylori) 		no annotation 4 TRP A  99
GLU A 133
LEU A 159
TRP A 158
 None
 1.44A 1agmA-4r7kA:
undetectable		 1agmA-4r7kA:
15.91
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.
5ejs MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00373
(FERM_M)
PF00784
(MyTH4)
PF09380
(FERM_C) 		4 SER A1919
GLU A1956
LEU A1856
TRP A1859
 None
 1.40A 1agmA-5ejsA:
undetectable		 1agmA-5ejsA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 SER A 915
TRP A 962
LEU A 949
TRP A 890
 None
 1.42A 1agmA-5t8vA:
2.8		 1agmA-5t8vA:
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 SER A 294
TRP A 362
GLU A  31
LEU A 472
 None
 1.44A 1agmA-5wu7A:
undetectable		 1agmA-5wu7A:
21.21
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 4 TRP A 212
GLU A 213
LEU A 451
TRP A 453
 None
B3P  A 652 (-3.7A)
None
None
 0.25A 1agmA-6fhvA:
62.7		 1agmA-6fhvA:
8.22
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 TRP A 207
GLU A 208
LEU A 447
TRP A 449
 None
ACR  A 801 (-3.9A)
None
None
 0.27A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 SER A 143
TRP A 202
GLU A 203
LEU A 439
TRP A 441
 None
 0.27A 1agmA-6frvA:
68.5		 1agmA-6frvA:
83.87