SIMILAR PATTERNS OF AMINO ACIDS FOR 3VYW_D_SAMD401

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.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 GLY A  96
GLY A  27
LEU A  30
ALA A 101
LEU A 117
 None
PPI  A 278 ( 3.7A)
None
None
None
 1.22A 3vywD-1a8sA:
undetectable		 3vywD-1a8sA:
21.12
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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 GLY A 109
GLY A 112
LEU A 115
ALA A 296
LEU A 305
 None
 1.18A 3vywD-1azwA:
undetectable		 3vywD-1azwA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		5 GLY A 551
LEU A 556
TYR A 558
ALA A 396
LEU A 421
 None
 1.14A 3vywD-1cjyA:
undetectable		 3vywD-1cjyA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 GLY A1430
GLY A1446
LEU A1449
ALA A1514
LEU A1435
 None
 1.07A 3vywD-1e6yA:
undetectable		 3vywD-1e6yA:
16.78
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 HIS A 282
GLY A  84
GLY A  82
TYR A 183
ALA A 116
 EPE  A 455 (-4.0A)
EPE  A 455 (-3.3A)
EPE  A 455 (-3.5A)
None
None
 1.10A 3vywD-1evqA:
undetectable		 3vywD-1evqA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 TYR B1047
GLY B 564
GLY B 567
LEU B 559
TYR B 578
 None
 1.01A 3vywD-1gl9B:
3.0		 3vywD-1gl9B:
16.79
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.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 TYR A 439
LEU A 498
ALA A 425
PHE A 436
LEU A 429
 None
 1.10A 3vywD-1ikpA:
undetectable		 3vywD-1ikpA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 138
GLY A 432
LEU A 435
ALA A 183
LEU A 191
 None
 1.15A 3vywD-1itzA:
2.5		 3vywD-1itzA:
18.33
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 HIS A 285
GLY A  89
GLY A  87
TYR A 188
ALA A 121
 EPE  A 455 (-4.6A)
EPE  A 455 (-3.4A)
EPE  A 455 ( 4.0A)
None
None
 1.14A 3vywD-1jjiA:
undetectable		 3vywD-1jjiA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 GLY C 412
GLY C 443
LEU C 444
TYR C 420
LEU C 292
 None
 1.16A 3vywD-1n8yC:
undetectable		 3vywD-1n8yC:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A 120
GLY A 122
ALA A 132
PHE A 397
LEU A 145
 None
 1.05A 3vywD-1ogyA:
1.5		 3vywD-1ogyA:
17.77
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		6 HIS A 151
GLY A 120
ASN A 457
ALA A 132
PHE A 397
LEU A 145
 MGD  A1803 ( 4.8A)
None
None
None
None
None
 0.80A 3vywD-1ogyA:
1.5		 3vywD-1ogyA:
17.77
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.
1pgp 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Ovis aries) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 124
GLY A 100
LEU A  73
ALA A 178
PHE A 156
 None
 1.22A 3vywD-1pgpA:
2.2		 3vywD-1pgpA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		5 HIS A 110
GLY A  48
GLY A  50
ALA A 222
LEU A  46
 None
 1.19A 3vywD-1s5pA:
undetectable		 3vywD-1s5pA:
21.43
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.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY G  69
LEU G  73
ASN G  71
ALA G 112
LEU G  46
 None
 1.21A 3vywD-1sgfG:
undetectable		 3vywD-1sgfG:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		5 GLY A 202
GLY A 199
ALA A 157
PHE A 173
LEU A 170
 None
 1.16A 3vywD-1upxA:
undetectable		 3vywD-1upxA:
18.01
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.
1yrw PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 TYR A  24
GLY A  15
ALA A 169
PHE A  80
LEU A 103
 None
 1.06A 3vywD-1yrwA:
undetectable		 3vywD-1yrwA:
22.22
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 TYR A  24
GLY A  15
ALA A 169
PHE A  80
LEU A 103
 None
 1.11A 3vywD-1z7eA:
5.1		 3vywD-1z7eA:
19.36
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.
1zun SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00009
(GTP_EFTU) 		5 TYR B 150
LEU B 378
ASN B 376
ALA B 383
LEU B 386
 None
 1.24A 3vywD-1zunB:
3.4		 3vywD-1zunB:
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 HIS A 281
GLY A  83
GLY A  81
TYR A 182
ALA A 115
 None
 1.09A 3vywD-2c7bA:
undetectable		 3vywD-2c7bA:
24.86
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.
2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Homo sapiens) 		PF01869
(BcrAD_BadFG) 		5 TYR A 331
GLY A 315
GLY A 110
ALA A 320
LEU A 327
 None
 1.16A 3vywD-2ch6A:
undetectable		 3vywD-2ch6A:
21.76
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 TYR A  81
TYR A 408
GLY A 149
GLY A  96
PHE A 154
 None
 1.11A 3vywD-2e0wA:
undetectable		 3vywD-2e0wA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli;
Escherichia
coli) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		5 TYR A  81
TYR B 408
GLY A 149
GLY A  96
PHE A 154
 None
 1.06A 3vywD-2e0xA:
undetectable		 3vywD-2e0xA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 GLY A 153
GLY A 130
TYR A 422
ASN A 424
ALA A 159
 None
GLN  A 501 (-3.2A)
None
None
None
 1.15A 3vywD-2f2aA:
undetectable		 3vywD-2f2aA:
20.73
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.
2f9z PROTEIN (CHEMOTAXIS
METHYLATION PROTEIN)

(Thermotoga
maritima) 		PF03975
(CheD) 		5 GLY C  89
GLY C 125
ASN C  99
ALA C  29
LEU C  24
 None
 1.21A 3vywD-2f9zC:
undetectable		 3vywD-2f9zC:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 TYR A 285
GLY A 284
ALA A 248
PHE A 302
LEU A 274
 None
 1.17A 3vywD-2i9kA:
6.9		 3vywD-2i9kA:
23.56
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.
2nqo GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Helicobacter
pylori) 		PF01019
(G_glu_transpept) 		5 GLY A  69
LEU A  72
ASN A  81
ALA A 145
LEU A 100
 None
 0.98A 3vywD-2nqoA:
undetectable		 3vywD-2nqoA:
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 HIS A 142
GLY A 111
ASN A 447
ALA A 123
PHE A 387
 MGD  A3001 ( 4.9A)
None
None
None
None
 0.79A 3vywD-2nyaA:
2.2		 3vywD-2nyaA:
16.02
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.
2p4q 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING 1

(Saccharomyces
cerevisiae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 124
GLY A 100
LEU A  73
ALA A 177
PHE A 156
 None
 1.23A 3vywD-2p4qA:
3.4		 3vywD-2p4qA:
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		5 HIS A 247
GLY A  35
GLY A  33
TYR A 129
ALA A  67
 PO4  A 273 (-4.0A)
PO4  A 273 (-3.5A)
PO4  A 273 ( 3.7A)
None
None
 1.12A 3vywD-2qruA:
undetectable		 3vywD-2qruA:
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		6 TYR A  48
GLY A  86
GLY A  88
ASN A  92
LYS A 122
PHE A 200
 None
 0.62A 3vywD-2qy6A:
23.4		 3vywD-2qy6A:
24.63
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		5 TYR A 242
GLY A 200
LEU A 179
TYR A 177
ALA A 205
 None
 1.17A 3vywD-2qzuA:
undetectable		 3vywD-2qzuA:
20.57
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A  82
GLY A 197
GLY A 348
ALA A  21
LEU A  90
 None
 1.16A 3vywD-2wgeA:
undetectable		 3vywD-2wgeA:
19.63
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.
2xj6 ASCORBATE PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		5 TYR A 235
GLY A 161
TYR A 224
ALA A 167
PHE A 186
 None
None
None
HEM  A1001 (-4.6A)
None
 1.12A 3vywD-2xj6A:
undetectable		 3vywD-2xj6A:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 GLY A  86
GLY A  84
TYR A 185
ALA A 118
PHE A  33
 None
 1.08A 3vywD-2yh2A:
undetectable		 3vywD-2yh2A:
21.33
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 HIS A 284
GLY A  86
GLY A  84
TYR A 185
ALA A 118
 None
 1.16A 3vywD-2yh2A:
undetectable		 3vywD-2yh2A:
21.33
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 HIS A 273
GLY A  80
GLY A  78
TYR A 177
ALA A 112
 DEP  A 304 (-4.1A)
DEP  A 304 (-3.5A)
DEP  A 304 ( 3.8A)
None
None
 1.10A 3vywD-3ailA:
undetectable		 3vywD-3ailA:
22.99
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		5 TYR A 166
GLY A 175
GLY A 172
ASN A 199
LEU A 144
 None
 1.22A 3vywD-3bn1A:
undetectable		 3vywD-3bn1A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e5z PUTATIVE
GLUCONOLACTONASE

(Deinococcus
radiodurans) 		PF08450
(SGL) 		5 TYR A 135
GLY A 222
GLY A 176
LEU A 177
LYS A 219
 None
 1.17A 3vywD-3e5zA:
undetectable		 3vywD-3e5zA:
21.01
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		5 GLY A 356
GLY A 380
LEU A 268
ALA A 441
PHE A 434
 None
 1.04A 3vywD-3fcrA:
undetectable		 3vywD-3fcrA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gvz UNCHARACTERIZED
PROTEIN CV2077

(Chromobacterium
violaceum) 		PF03417
(AAT) 		5 TYR A 177
GLY A 156
LEU A 183
ALA A 130
LEU A 163
 None
 1.14A 3vywD-3gvzA:
undetectable		 3vywD-3gvzA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLY A 429
GLY A 408
ASN A 383
PHE A 173
LEU A 452
 None
 1.18A 3vywD-3h09A:
undetectable		 3vywD-3h09A:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h32 FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 TYR B 269
GLY B 400
TYR B 378
ALA B 410
PHE B 375
 None
 1.20A 3vywD-3h32B:
undetectable		 3vywD-3h32B:
20.97
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.
3h4m PROTEASOME-ACTIVATIN
G NUCLEOTIDASE

(Methanocaldococcus
jannaschii) 		PF00004
(AAA) 		5 HIS A 353
GLY A 216
GLY A 377
LEU A 380
LEU A 220
 ADP  A 439 (-4.2A)
ADP  A 439 (-3.0A)
ADP  A 439 (-3.1A)
None
None
 1.17A 3vywD-3h4mA:
undetectable		 3vywD-3h4mA:
24.55
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		5 TYR 1 313
GLY 1 248
GLY 1 242
LYS 1 250
LEU 1  62
 None
 1.09A 3vywD-3i9v1:
undetectable		 3vywD-3i9v1:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 HIS A  88
GLY A 174
LEU A 159
TYR A 163
ALA A 273
 None
 1.22A 3vywD-3ik2A:
undetectable		 3vywD-3ik2A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 TYR A 117
GLY A 297
GLY A 305
TYR A 178
ALA A 240
 None
 1.18A 3vywD-3il7A:
undetectable		 3vywD-3il7A:
22.87
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 TYR A 185
GLY A 197
LEU A 205
ALA A 281
PHE A 164
 None
 1.04A 3vywD-3ktnA:
undetectable		 3vywD-3ktnA:
22.38
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 TYR A 257
GLY A 256
ALA A 161
PHE A 251
LEU A 250
 None
 1.21A 3vywD-3lijA:
undetectable		 3vywD-3lijA:
23.05
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.
3lrk ALPHA-GALACTOSIDASE
1

(Saccharomyces
cerevisiae) 		PF16499
(Melibiase_2) 		5 TYR A 331
GLY A 362
GLY A 341
ALA A 278
LEU A 360
 None
 1.20A 3vywD-3lrkA:
undetectable		 3vywD-3lrkA:
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		5 TYR A 437
TYR A 340
GLY A 142
GLY A 346
ALA A 184
 None
 1.12A 3vywD-3nd0A:
undetectable		 3vywD-3nd0A:
21.87
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 HIS A 151
GLY A 120
ASN A 457
ALA A 132
PHE A 397
 MGD  A1803 ( 4.6A)
None
None
None
FMT  A 803 (-3.6A)
 0.70A 3vywD-3o5aA:
undetectable		 3vywD-3o5aA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 TYR A  28
GLY A  66
GLY A  68
ASN A  72
PHE A 180
 SAM  A 670 (-4.5A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 ( 3.7A)
SAM  A 670 (-3.6A)
 0.26A 3vywD-3ps9A:
22.6		 3vywD-3ps9A:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		6 TYR A  63
GLY A 104
LEU A 137
ALA A 175
PHE A 195
LEU A 203
 None
SAM  A 501 (-3.6A)
None
SAM  A 501 (-3.8A)
SAM  A 501 (-3.7A)
SAM  A 501 (-4.6A)
 1.49A 3vywD-3vywA:
50.6		 3vywD-3vywA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		12 TYR A  63
TYR A  67
HIS A  68
GLY A 104
GLY A 106
LEU A 107
TYR A 109
ASN A 110
LYS A 134
ALA A 175
PHE A 195
LEU A 203
 None
SAM  A 501 (-4.5A)
SAM  A 501 (-4.2A)
SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.3A)
SAM  A 501 (-4.6A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.7A)
SAM  A 501 (-4.6A)
 0.33A 3vywD-3vywA:
50.6		 3vywD-3vywA:
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 HIS A 281
GLY A  86
GLY A  84
TYR A 184
ALA A 118
 None
 1.23A 3vywD-3wj2A:
undetectable		 3vywD-3wj2A:
23.08
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.
4bpt PHENYLALANINE-4-HYDR
OXYLASE (PAH)
(PHE-4-MONOOXYGENASE
)

(Legionella
pneumophila) 		PF00351
(Biopterin_H) 		5 GLY A 126
GLY A 182
TYR A 180
PHE A 100
LEU A 124
 None
 1.23A 3vywD-4bptA:
undetectable		 3vywD-4bptA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 251
GLY A 258
ASN A 188
ALA A 275
LEU A 267
 None
 1.15A 3vywD-4c7vA:
2.6		 3vywD-4c7vA:
19.44
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.
4d65 PORIN 2

(Providencia
stuartii) 		PF00267
(Porin_1) 		5 TYR A 233
GLY A 234
ASN A 102
ALA A 251
LEU A 291
 LDA  A1372 (-4.3A)
None
None
None
None
 0.98A 3vywD-4d65A:
undetectable		 3vywD-4d65A:
19.15
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.
4hum MULTIDRUG EFFLUX
PROTEIN

(Neisseria
gonorrhoeae) 		PF01554
(MatE) 		5 GLY A  72
GLY A 255
LEU A 256
PHE A  70
LEU A 156
 None
 1.22A 3vywD-4humA:
undetectable		 3vywD-4humA:
21.24
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 HIS A  70
GLY A  48
ASN A  75
ALA A  36
LEU A  60
 None
 1.22A 3vywD-4hv4A:
2.6		 3vywD-4hv4A:
20.55
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.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666) 		PF00378
(ECH_1) 		5 GLY A 146
GLY A 144
LEU A  87
ALA A 151
LEU A 163
 None
 1.21A 3vywD-4jfcA:
undetectable		 3vywD-4jfcA:
23.01
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.
4kfv GOLGI
REASSEMBLY-STACKING
PROTEIN 1

(Rattus
norvegicus) 		PF04495
(GRASP55_65) 		5 GLY A 192
GLY A 194
ALA A 123
PHE A 149
LEU A 189
 None
 1.20A 3vywD-4kfvA:
undetectable		 3vywD-4kfvA:
22.47
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.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 223
GLY A 240
ASN A 208
ALA A 225
LEU A 329
 None
 1.18A 3vywD-4n54A:
4.1		 3vywD-4n54A:
21.12
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.
4o6b NON-STRUCTURAL
PROTEIN 1

(Dengue virus) 		PF00948
(Flavi_NS1) 		5 TYR A 331
HIS A 269
GLY A 328
GLY A 325
LEU A 273
 None
 1.21A 3vywD-4o6bA:
undetectable		 3vywD-4o6bA:
23.00
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		5 HIS A 274
GLY A  81
GLY A  79
TYR A 177
ALA A 113
 None
 1.11A 3vywD-4p9nA:
undetectable		 3vywD-4p9nA:
22.32
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.
4q14 5-HYDROXYISOURATE
HYDROLASE

(Brucella
abortus) 		PF00576
(Transthyretin) 		5 TYR A  62
TYR A 101
HIS A 102
GLY A   2
GLY A  99
 None
None
CL  A 201 ( 4.6A)
None
None
 0.87A 3vywD-4q14A:
undetectable		 3vywD-4q14A:
18.12
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 TYR A 205
GLY A 201
GLY A 221
LEU A 217
ASN A 199
 289  A 414 (-4.6A)
289  A 422 ( 4.0A)
None
None
None
 0.95A 3vywD-4q1qA:
undetectable		 3vywD-4q1qA:
17.97
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 TYR A 241
TYR A 182
GLY A 181
ALA A 228
PHE A 222
 None
 1.15A 3vywD-4qjyA:
undetectable		 3vywD-4qjyA:
20.00
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.
4qqf MITOCHONDRIAL IMPORT
INNER MEMBRANE
TRANSLOCASE SUBUNIT
TIM50

(Saccharomyces
cerevisiae) 		no annotation 5 LEU D 228
TYR D 232
ALA D 249
PHE D 201
LEU D 198
 None
 1.04A 3vywD-4qqfD:
undetectable		 3vywD-4qqfD:
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.
4rv2 MAOC FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01575
(MaoC_dehydratas) 		5 GLY B  67
GLY B  64
LEU B  61
ALA B 137
PHE B 104
 None
 1.10A 3vywD-4rv2B:
undetectable		 3vywD-4rv2B:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		5 TYR A 199
GLY A 150
ALA A 153
PHE A 108
LEU A 146
 None
 1.22A 3vywD-4uvkA:
undetectable		 3vywD-4uvkA:
17.65
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 248
LEU A 249
TYR A  17
ALA A 179
LEU A 228
 PEG  A 503 ( 4.4A)
PEG  A 503 ( 4.7A)
None
None
None
 1.17A 3vywD-4wyrA:
undetectable		 3vywD-4wyrA:
21.39
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.
4ybn FLAVIN-NUCLEOTIDE-BI
NDING PROTEIN

(Mycolicibacterium
smegmatis) 		PF12900
(Pyridox_ox_2) 		5 GLY A  52
LEU A  35
ASN A 221
ALA A 152
LEU A 124
 None
None
None
None
HEM  A 304 (-4.0A)
 1.07A 3vywD-4ybnA:
undetectable		 3vywD-4ybnA:
21.36
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 HIS A 283
GLY A  88
GLY A  86
TYR A 187
ALA A 120
 None
 1.08A 3vywD-4ypvA:
undetectable		 3vywD-4ypvA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b26 PROTEIN SEL-1
HOMOLOG 1

(Mus musculus) 		PF08238
(Sel1) 		5 GLY A 448
GLY A 450
LEU A 454
TYR A 455
ALA A 437
 None
 1.14A 3vywD-5b26A:
undetectable		 3vywD-5b26A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b2d HN PROTEIN

(Mumps
rubulavirus) 		PF00423
(HN) 		5 GLY A 311
GLY A 309
TYR A 420
ALA A 254
LEU A 318
 None
 1.18A 3vywD-5b2dA:
undetectable		 3vywD-5b2dA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cqf L-LYSINE
6-MONOOXYGENASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13434
(K_oxygenase) 		5 HIS A  56
GLY A  17
GLY A  19
PHE A 128
LEU A  47
 None
 1.03A 3vywD-5cqfA:
undetectable		 3vywD-5cqfA:
20.05
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		5 GLY A 231
GLY A 237
LEU A 238
ASN A 205
ALA A 154
 None
 1.22A 3vywD-5dkvA:
3.1		 3vywD-5dkvA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 GLY A  62
LEU A  61
ASN A  29
ALA A 531
PHE A  69
 None
 1.19A 3vywD-5dztA:
undetectable		 3vywD-5dztA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f1u 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00701
(DHDPS) 		5 TYR A 123
LEU A 155
ASN A 161
LYS A 166
LEU A  78
 None
 1.20A 3vywD-5f1uA:
undetectable		 3vywD-5f1uA:
22.59
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 HIS H 114
GLY H 128
TYR H  97
ALA H 158
LEU H 138
 None
 1.16A 3vywD-5fg9H:
undetectable		 3vywD-5fg9H:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 GLY A  51
LEU A 133
ALA A  89
PHE A  85
LEU A  87
 None
 1.08A 3vywD-5gw7A:
undetectable		 3vywD-5gw7A:
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 HIS A 286
GLY A  90
GLY A  88
TYR A 189
ALA A 122
 BAM  A 407 (-3.9A)
BAM  A 407 (-3.5A)
BAM  A 407 ( 3.9A)
None
None
 1.02A 3vywD-5jd4A:
undetectable		 3vywD-5jd4A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00982
(Glyco_transf_20) 		5 GLY A 243
LEU A 200
ALA A 472
PHE A 166
LEU A 195
 None
 1.16A 3vywD-5jijA:
2.7		 3vywD-5jijA:
21.76
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.
5l7l ELP3 FAMILY, ELP3
FAMILY

(Dehalococcoides
mccartyi) 		PF04055
(Radical_SAM)
PF16199
(Radical_SAM_C) 		5 GLY A 382
LEU A 370
TYR A 190
ALA A 408
LEU A 363
 None
 1.14A 3vywD-5l7lA:
undetectable		 3vywD-5l7lA:
22.78
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 177
GLY A 472
LEU A 475
ALA A 223
LEU A 231
 None
 1.12A 3vywD-5nd5A:
2.9		 3vywD-5nd5A:
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 TYR A 243
GLY A 244
ASN A 105
ALA A 259
LEU A 300
 None
 0.97A 3vywD-5nxnA:
undetectable		 3vywD-5nxnA:
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 TYR A 295
TYR A 252
GLY A 337
GLY A 253
PHE A 332
 None
 0.73A 3vywD-5nxnA:
undetectable		 3vywD-5nxnA:
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 5 GLY C 411
GLY C 442
LEU C 443
TYR C 419
LEU C 291
 None
 1.07A 3vywD-5o4gC:
undetectable		 3vywD-5o4gC:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 TYR A 560
GLY A 454
GLY A 460
LEU A 101
ALA A 501
 None
 1.13A 3vywD-5oynA:
undetectable		 3vywD-5oynA:
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.
5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
platensis) 		PF13714
(PEP_mutase) 		5 TYR A 191
TYR A 103
ALA A 177
PHE A 150
LEU A 144
 None
 1.06A 3vywD-5uncA:
undetectable		 3vywD-5uncA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 TYR A1127
GLY A1245
GLY A1219
ALA A1182
PHE A1248
 None
 1.23A 3vywD-5vadA:
undetectable		 3vywD-5vadA:
21.52
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 5 TYR A 445
GLY A 563
GLY A 537
ALA A 500
PHE A 566
 None
 1.14A 3vywD-5xiiA:
undetectable		 3vywD-5xiiA:
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 5 TYR A 365
GLY A 483
GLY A 457
ALA A 420
PHE A 486
 None
 1.23A 3vywD-5xipA:
undetectable		 3vywD-5xipA:
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 GLY A 718
GLY A 714
TYR A 654
ALA A 733
LEU A 676
 None
 1.19A 3vywD-5xqoA:
undetectable		 3vywD-5xqoA:
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.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 5 TYR A   8
GLY A  11
GLY A 133
LEU A 136
LEU A 450
 None
 1.08A 3vywD-6b3bA:
8.1		 3vywD-6b3bA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5v TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5

(Oryctolagus
cuniculus) 		no annotation 5 TYR A 467
GLY A 476
LEU A 475
ALA A 595
LEU A 421
 None
 0.99A 3vywD-6b5vA:
undetectable		 3vywD-6b5vA:
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.
6c5c 3-DEHYDROQUINATE
SYNTHASE

(Candida
albicans) 		no annotation 5 HIS A 280
GLY A 263
GLY A 267
LYS A 290
ALA A 292
 None
 1.22A 3vywD-6c5cA:
2.4		 3vywD-6c5cA:
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.
6fel 14-3-3 PROTEIN GAMMA

(Homo sapiens) 		no annotation 5 TYR A 183
GLY A 128
ALA A 157
PHE A 182
LEU A 175
 None
 1.17A 3vywD-6felA:
undetectable		 3vywD-6felA:
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.
1br2 MYOSIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLU A 185
ASP A 465
ASP A 243
ASN A 236
 ADP  A 998 (-4.7A)
MG  A 997 ( 3.3A)
None
None
 1.14A 3vywD-1br2A:
undetectable		 3vywD-1br2A:
19.44
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		4 GLU E 107
ASP E 110
ASP E 118
ASN E  52
 None
 1.24A 3vywD-1cziE:
undetectable		 3vywD-1cziE:
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.
1fw3 OUTER MEMBRANE
PHOSPHOLIPASE A

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP A 251
ASP A 149
ASN A 145
GLU A 111
 None
None
S1H  A 144 ( 4.9A)
None
 1.11A 3vywD-1fw3A:
undetectable		 3vywD-1fw3A:
20.57
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.
1g7u 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		4 ASP A 199
ASP A  59
ASN A  26
GLU A 239
 None
 1.18A 3vywD-1g7uA:
1.6		 3vywD-1g7uA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		4 GLU A 418
ASP A 343
ASP A 413
GLU A 342
 None
 1.38A 3vywD-1gkpA:
undetectable		 3vywD-1gkpA:
21.24
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.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.32A 3vywD-1hsjA:
undetectable		 3vywD-1hsjA:
21.82
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.
1iay 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
SYNTHASE 2

(Solanum
lycopersicum) 		PF00155
(Aminotran_1_2) 		4 ASP A  61
ASP A 324
ASN A 330
GLU A 334
 None
 1.24A 3vywD-1iayA:
2.3		 3vywD-1iayA:
21.92
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 GLU A 216
ASP A 251
ASP A 274
GLU A 282
 None
None
SO4  A 483 (-4.5A)
None
 1.05A 3vywD-1k7hA:
2.3		 3vywD-1k7hA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qd6 PROTEIN (OUTER
MEMBRANE
PHOSPHOLIPASE
(OMPLA))

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP C 251
ASP C 149
ASN C 145
GLU C 111
 None
 0.99A 3vywD-1qd6C:
undetectable		 3vywD-1qd6C:
22.68
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.
1sbd SOYBEAN AGGLUTININ

(Glycine max) 		PF00139
(Lectin_legB) 		4 ASP A 133
ASP A 192
ASN A 142
GLU A 124
 MN  A 600 ( 2.8A)
None
None
MN  A 600 (-2.6A)
 1.37A 3vywD-1sbdA:
undetectable		 3vywD-1sbdA:
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 GLU A 371
ASP A 382
ASP A 302
GLU A 103
 None
None
None
HDF  A5486 (-3.7A)
 1.28A 3vywD-1tezA:
undetectable		 3vywD-1tezA:
20.66
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.
1w7j MYOSIN LIGHT CHAIN 1

(Homo sapiens) 		no annotation 4 GLU B 124
ASP B  34
ASN B  45
GLU B 118
 None
 1.18A 3vywD-1w7jB:
undetectable		 3vywD-1w7jB:
22.04
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.
1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.32A 3vywD-1y4cA:
undetectable		 3vywD-1y4cA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 GLU A 319
ASP A 328
ASP A 504
GLU A 330
 None
 1.38A 3vywD-2bf4A:
4.4		 3vywD-2bf4A:
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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		4 GLU A 263
ASP A 254
ASP A 321
ASN A 258
 None
 1.21A 3vywD-2cu2A:
undetectable		 3vywD-2cu2A:
26.63
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1

(Saccharomyces
cerevisiae) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 GLU A 302
ASP A 361
ASP A 336
ASN A 411
 None
 1.39A 3vywD-2cvtA:
undetectable		 3vywD-2cvtA:
16.70
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.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
saprophyticus) 		PF13407
(Peripla_BP_4) 		4 GLU A 149
ASP A 161
ASN A 198
GLU A 163
 None
 1.33A 3vywD-2qu7A:
undetectable		 3vywD-2qu7A:
23.64
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLU A 121
ASP A 176
ASP A 198
ASN A 205
 None
 0.81A 3vywD-2qy6A:
23.4		 3vywD-2qy6A:
24.63
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.
2vgq SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,MITOCHONDRIA
L
ANTIVIRAL-SIGNALING
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16739
(CARD_2) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.41A 3vywD-2vgqA:
undetectable		 3vywD-2vgqA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xz3 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ENVELOPE
GLYCOPROTEIN

(Escherichia
coli;
Bovine leukemia
virus) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		4 GLU A 334
ASP A 340
ASP A 313
ASN A 320
 None
 1.35A 3vywD-2xz3A:
undetectable		 3vywD-2xz3A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4

(Homo sapiens) 		PF00443
(UCH) 		4 ASP A 403
ASP A 449
ASN A 410
GLU A 407
 None
 1.36A 3vywD-2y6eA:
undetectable		 3vywD-2y6eA:
20.37
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		4 ASP A 154
ASP A 119
ASN A  54
GLU A  56
 CA  A1521 (-3.0A)
None
None
CA  A1521 (-2.1A)
 1.27A 3vywD-2yjqA:
undetectable		 3vywD-2yjqA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn2 UNCHARACTERIZED
PROTEIN YNL108C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		4 GLU A  92
ASP A  31
ASP A 255
ASN A  16
 FMT  A1264 (-3.2A)
None
None
None
 1.02A 3vywD-2yn2A:
undetectable		 3vywD-2yn2A:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.33A 3vywD-3a3cA:
undetectable		 3vywD-3a3cA:
20.90
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.
3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1

(Escherichia
coli;
Arabidopsis
thaliana) 		PF00400
(WD40)
PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.30A 3vywD-3dm0A:
undetectable		 3vywD-3dm0A:
19.46
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.
3e9a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Vibrio cholerae) 		PF00793
(DAHP_synth_1) 		4 ASP A 199
ASP A  59
ASN A  26
GLU A 239
 None
 1.04A 3vywD-3e9aA:
1.8		 3vywD-3e9aA:
23.10
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.
3ehs FUSION PROTEIN OF
CRFR1 EXTRACELLULAR
DOMAIN AND MBP

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		4 GLU A -41
ASP A -35
ASP A -62
ASN A -55
 None
 1.38A 3vywD-3ehsA:
undetectable		 3vywD-3ehsA:
21.95
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.
3emq ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		4 GLU A  44
ASP A 301
ASN A 296
GLU A  30
 HAH  A1000 ( 4.9A)
None
None
None
 1.28A 3vywD-3emqA:
undetectable		 3vywD-3emqA:
22.59
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.
3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE

(Haemophilus
influenzae) 		PF03767
(Acid_phosphat_B) 		4 ASP A 181
ASP A 138
ASN A  72
GLU A  67
 MG  A 255 (-2.6A)
None
None
PG4  A 257 (-3.4A)
 1.40A 3vywD-3et5A:
2.8		 3vywD-3et5A:
20.78
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.30A 3vywD-3f5fA:
undetectable		 3vywD-3f5fA:
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		4 GLU A 196
ASP A 242
ASN A 116
GLU A 115
 None
RIB  A 305 (-2.9A)
None
None
 1.16A 3vywD-3go7A:
undetectable		 3vywD-3go7A:
20.65
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		4 ASP A 147
ASP A 112
ASN A  46
GLU A  48
 CA  A 514 (-3.0A)
GOL  A 528 (-4.4A)
None
CA  A 514 (-2.2A)
 1.26A 3vywD-3ik2A:
undetectable		 3vywD-3ik2A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		4 GLU A -36
ASP A -30
ASP A -57
ASN A -50
 None
 1.32A 3vywD-3l2jA:
undetectable		 3vywD-3l2jA:
20.48
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.
3mp6 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,LINKER,SAGA-
ASSOCIATED FACTOR 29

(Escherichia
coli;
Saccharomyces
cerevisiae;
unidentified) 		PF07039
(DUF1325)
PF13416
(SBP_bac_8) 		4 GLU A1046
ASP A1052
ASP A1025
ASN A1032
 None
 1.35A 3vywD-3mp6A:
undetectable		 3vywD-3mp6A:
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.
3mq9 BONE MARROW STROMAL
ANTIGEN 2 FUSED TO
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16716
(BST2) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.37A 3vywD-3mq9A:
undetectable		 3vywD-3mq9A:
22.18
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.
3n93 MALTOSE BINDING
PROTEIN-CRFR2 ALPHA

(Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		4 GLU A -62
ASP A -56
ASP A -83
ASN A -76
 None
 1.31A 3vywD-3n93A:
undetectable		 3vywD-3n93A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2

(Escherichia
coli;
Arachis
duranensis) 		PF00234
(Tryp_alpha_amyl)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.33A 3vywD-3ob4A:
undetectable		 3vywD-3ob4A:
19.92
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.
3osq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		4 GLU A 556
ASP A 562
ASP A 535
ASN A 542
 None
 1.36A 3vywD-3osqA:
undetectable		 3vywD-3osqA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLU A 101
ASP A 156
ASP A 178
ASN A 185
 SAM  A 670 (-2.6A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
SAM  A 670 ( 4.1A)
 0.71A 3vywD-3ps9A:
22.6		 3vywD-3ps9A:
19.07
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.
3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA

(Escherichia
coli;
Homo sapiens;
Deltapapillomavirus
4) 		PF00518
(E6)
PF01547
(SBP_bac_1) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.34A 3vywD-3py7A:
undetectable		 3vywD-3py7A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLU A 150
ASP A 172
ASN A 142
GLU A 118
 None
 1.33A 3vywD-3qgvA:
undetectable		 3vywD-3qgvA:
20.36
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.
3vd8 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
INTERFERON-INDUCIBLE
PROTEIN AIM2

(Escherichia
coli;
Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 EDO  A1204 (-3.6A)
None
None
None
 1.39A 3vywD-3vd8A:
undetectable		 3vywD-3vd8A:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLU A 133
ASP A 174
ASP A 193
ASN A 200
GLU A 202
 SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.2A)
SAM  A 501 (-4.2A)
 0.22A 3vywD-3vywA:
50.6		 3vywD-3vywA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 GLU A 135
ASP A 174
ASN A 200
GLU A 202
 None
SAM  A 501 (-3.4A)
SAM  A 501 (-3.2A)
SAM  A 501 (-4.2A)
 1.02A 3vywD-3vywA:
50.6		 3vywD-3vywA:
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.
3wai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Escherichia
coli;
Archaeoglobus
fulgidus) 		PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.39A 3vywD-3waiA:
undetectable		 3vywD-3waiA:
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.
3wsu BETA-MANNANASE

(Streptomyces
thermolilacinus) 		PF00150
(Cellulase) 		4 GLU A 178
ASP A 218
ASN A 182
GLU A 143
 NA  A 402 (-2.8A)
None
None
None
 1.38A 3vywD-3wsuA:
undetectable		 3vywD-3wsuA:
20.33
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.
3zcj CAGL

(Helicobacter
pylori) 		no annotation 4 ASP A 212
ASP A  97
ASN A 206
GLU A 209
 MLY  A 149 ( 4.1A)
PEG  A1232 (-3.0A)
PEG  A1232 ( 4.9A)
None
 1.37A 3vywD-3zcjA:
undetectable		 3vywD-3zcjA:
23.90
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 GLU B2515
ASP B2769
ASN B2509
GLU B2507
 None
 1.36A 3vywD-4bedB:
undetectable		 3vywD-4bedB:
11.01
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.
4egc MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HOMEOBOX PROTEIN
SIX1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		PF00046
(Homeobox)
PF13416
(SBP_bac_8)
PF16878
(SIX1_SD) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.39A 3vywD-4egcA:
undetectable		 3vywD-4egcA:
20.79
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.
4exk MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UNCHARACTERIZED
PROTEIN CHIMERA

(Escherichia
coli;
Salmonella
enterica) 		PF13416
(SBP_bac_8)
PF16583
(ZirS_C) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.36A 3vywD-4exkA:
undetectable		 3vywD-4exkA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fk9 CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF00150
(Cellulase) 		4 GLU A 178
ASP A 218
ASN A 182
GLU A 143
 None
 1.39A 3vywD-4fk9A:
undetectable		 3vywD-4fk9A:
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.
4gf2 ERYTHROCYTE BINDING
ANTIGEN 140

(Plasmodium
falciparum) 		PF05424
(Duffy_binding) 		4 GLU A 506
ASP A 450
ASP A 416
ASN A 345
 GOL  A 813 ( 4.5A)
None
None
None
 1.39A 3vywD-4gf2A:
undetectable		 3vywD-4gf2A:
18.90
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.
4h8e UNDECAPRENYL
PYROPHOSPHATE
SYNTHASE

(Staphylococcus
aureus) 		PF01255
(Prenyltransf) 		4 ASP A 232
ASP A  33
ASN A 224
GLU A 235
 None
MG  A 301 ( 2.6A)
None
None
 1.42A 3vywD-4h8eA:
undetectable		 3vywD-4h8eA:
24.52
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.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Escherichia
coli;
Danio rerio) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.33A 3vywD-4irlA:
undetectable		 3vywD-4irlA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 ASP A 487
ASP A 201
ASN A 195
GLU A 239
 None
 1.24A 3vywD-4jc8A:
2.9		 3vywD-4jc8A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		4 GLU A 310
ASP A 316
ASP A 289
ASN A 296
 None
 1.41A 3vywD-4logA:
undetectable		 3vywD-4logA:
21.28
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.
4lq8 SCA-FAMILY PROTEIN

(Rickettsia
rickettsii) 		PF12574
(120_Rick_ant) 		4 GLU A  49
ASP A  52
ASP A 267
GLU A 218
 None
 1.16A 3vywD-4lq8A:
undetectable		 3vywD-4lq8A:
26.36
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.
4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00007
(Cys_knot)
PF13416
(SBP_bac_8) 		4 GLU A 310
ASP A 316
ASP A 289
ASN A 296
 None
 1.36A 3vywD-4my2A:
undetectable		 3vywD-4my2A:
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.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.24A 3vywD-4pqkA:
undetectable		 3vywD-4pqkA:
25.12
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.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		4 ASP A 246
ASP A 347
ASN A 425
GLU A 423
 MG  A 502 (-2.1A)
None
None
MG  A 502 ( 2.6A)
 1.37A 3vywD-4qr8A:
undetectable		 3vywD-4qr8A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA

(Escherichia
coli;
Mycobacterium
tuberculosis) 		PF01648
(ACPS)
PF13416
(SBP_bac_8) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
None
None
GOL  A 607 (-3.4A)
 1.36A 3vywD-4qvhA:
undetectable		 3vywD-4qvhA:
19.74
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.
4r7b CHOLINE KINASE

(Streptococcus
pneumoniae) 		PF01633
(Choline_kinase) 		4 GLU A  65
ASP A  80
ASP A  59
GLU A  82
 None
 1.27A 3vywD-4r7bA:
undetectable		 3vywD-4r7bA:
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 GLU A  75
ASP A  92
ASP A 198
GLU A 306
 GLA  A 503 ( 3.1A)
None
GLA  A 503 (-4.4A)
None
 1.33A 3vywD-4rk9A:
undetectable		 3vywD-4rk9A:
20.43
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.
4tsm MALTOSE-BINDING
PROTEIN, PILIN
CHIMERA

(Escherichia
coli;
Clostridioides
difficile) 		PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.39A 3vywD-4tsmA:
undetectable		 3vywD-4tsmA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wvi MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SIGNAL
PEPTIDASE IB

(Escherichia
coli;
Staphylococcus
aureus) 		PF00717
(Peptidase_S24)
PF13416
(SBP_bac_8) 		4 GLU A 314
ASP A 320
ASP A 293
ASN A 300
 None
 1.36A 3vywD-4wviA:
undetectable		 3vywD-4wviA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C

(Acinetobacter
baumannii;
Escherichia
coli) 		PF00114
(Pilin)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.29A 3vywD-4xa2A:
undetectable		 3vywD-4xa2A:
20.55
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.
4xai MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TAILLESS
ORTHOLOG

(Escherichia
coli;
Tribolium
castaneum) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		4 GLU A 310
ASP A 316
ASP A 289
ASN A 296
 None
 1.32A 3vywD-4xaiA:
undetectable		 3vywD-4xaiA:
21.00
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.
4xaj MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR
RECEPTOR SUBFAMILY 2
GROUP E MEMBER 1

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		4 GLU A 310
ASP A 316
ASP A 289
ASN A 296
 None
 1.40A 3vywD-4xajA:
undetectable		 3vywD-4xajA:
20.51
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.
4yrd CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP5F

(Staphylococcus
aureus) 		PF01370
(Epimerase) 		4 ASP A 363
ASP A 330
ASN A 354
GLU A 355
 None
 1.38A 3vywD-4yrdA:
undetectable		 3vywD-4yrdA:
22.44
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.
5aza MALTOSE-BINDING
PERIPLASMIC
PROTEIN,OLIGOSACCHAR
YL TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Escherichia
coli;
Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.29A 3vywD-5azaA:
undetectable		 3vywD-5azaA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12

(Escherichia
coli;
Zoarces
americanus) 		PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.36A 3vywD-5c7rA:
undetectable		 3vywD-5c7rA:
23.18
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.
5cfv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MALTOSE-BIND
ING PERIPLASMIC
PROTEIN,PILA FUSION
PROTEIN

(Escherichia
coli;
Acinetobacter
nosocomialis) 		PF00114
(Pilin)
PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.36A 3vywD-5cfvA:
undetectable		 3vywD-5cfvA:
21.02
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.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.32A 3vywD-5dfmA:
undetectable		 3vywD-5dfmA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 GLU B 416
ASP B 422
ASP B 395
ASN B 402
 None
 1.25A 3vywD-5eduB:
4.9		 3vywD-5eduB:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLU A 715
ASP A 555
ASP A 565
ASN A 512
 None
 1.27A 3vywD-5fd2A:
undetectable		 3vywD-5fd2A:
23.23
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.
5fsg MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HANTAVIRUS
NUCLEOPROTEIN

(Hantaan
orthohantavirus) 		PF00846
(Hanta_nucleocap)
PF13416
(SBP_bac_8) 		4 GLU A -64
ASP A -58
ASP A -85
ASN A -78
 None
 1.23A 3vywD-5fsgA:
undetectable		 3vywD-5fsgA:
19.13
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		4 GLU A 130
ASP A  20
ASP A 119
ASN A  23
 None
 1.38A 3vywD-5ftfA:
undetectable		 3vywD-5ftfA:
23.33
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.
5g52 VP1
VP3

(Deformed wing
virus;
Deformed wing
virus) 		PF08762
(CRPV_capsid)
PF00073
(Rhv) 		4 GLU C 392
ASP C 253
ASN A  85
GLU A  82
 None
 1.22A 3vywD-5g52C:
undetectable		 3vywD-5g52C:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gpq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,APOPTOSIS-AS
SOCIATED SPECK-LIKE
PROTEIN CONTAINING A
CARD

(Escherichia
coli;
Danio rerio) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.36A 3vywD-5gpqA:
undetectable		 3vywD-5gpqA:
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.
5gxv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PIGG

(Escherichia
coli;
Serratia) 		PF13416
(SBP_bac_8) 		4 GLU A 310
ASP A 316
ASP A 289
ASN A 296
 None
 1.37A 3vywD-5gxvA:
undetectable		 3vywD-5gxvA:
21.46
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.
5h7n NLRP12-PYD WITH MBP
TAG

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.37A 3vywD-5h7nA:
undetectable		 3vywD-5h7nA:
22.24
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.
5hz7 COMP

(Neisseria
meningitidis) 		PF13416
(SBP_bac_8)
PF16732
(ComP_DUS) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
None
None
NA  A 507 (-3.1A)
 1.34A 3vywD-5hz7A:
undetectable		 3vywD-5hz7A:
21.74
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.
5i4e MYOSIN-14,ALPHA-ACTI
NIN A

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		4 GLU A 206
ASP A 478
ASP A 257
ASN A 250
 AOV  A1500 (-4.2A)
MG  A1501 ( 4.6A)
None
None
 1.24A 3vywD-5i4eA:
undetectable		 3vywD-5i4eA:
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.
5iic MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		4 GLU A4277
ASP A4283
ASP A4256
ASN A4263
 None
 1.37A 3vywD-5iicA:
undetectable		 3vywD-5iicA:
20.55
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.
5jon MALTOSE-BINDING
PERIPLASMIC
PROTEIN,POTASSIUM/SO
DIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Escherichia
coli;
Mus musculus) 		PF00027
(cNMP_binding)
PF13416
(SBP_bac_8) 		4 GLU A -61
ASP A -55
ASP A -82
ASN A -75
 None
 1.31A 3vywD-5jonA:
undetectable		 3vywD-5jonA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jqe SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,CASPASE-8
CHIMERA

(Escherichia
coli) 		PF01335
(DED)
PF13416
(SBP_bac_8) 		4 GLU A 320
ASP A 326
ASP A 299
ASN A 306
 None
 1.34A 3vywD-5jqeA:
undetectable		 3vywD-5jqeA:
21.33
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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		4 GLU A1308
ASP A1314
ASP A1287
ASN A1294
 None
 1.40A 3vywD-5k94A:
undetectable		 3vywD-5k94A:
22.24
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.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		4 GLU A 284
ASP A 278
ASP A 289
GLU A 266
 None
 1.30A 3vywD-5mkfA:
undetectable		 3vywD-5mkfA:
15.26
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 365
ASP A 283
ASN A 348
GLU A 361
 None
 1.40A 3vywD-5oasA:
undetectable		 3vywD-5oasA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.34A 3vywD-5tj2A:
undetectable		 3vywD-5tj2A:
20.64
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.
5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN

(Escherichia
coli;
Streptococcus
pyogenes) 		PF12892
(FctA)
PF13416
(SBP_bac_8) 		4 GLU A 314
ASP A 320
ASP A 293
ASN A 300
 None
 1.40A 3vywD-5ttdA:
undetectable		 3vywD-5ttdA:
22.15
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.
5vaw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TYPE IV
PILIN PILA

(Acinetobacter
baumannii;
Escherichia
coli) 		no annotation 4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.39A 3vywD-5vawA:
undetectable		 3vywD-5vawA:
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.
5wos CNPV058 BCL-2 LIKE
PROTEIN

(Canarypox virus) 		no annotation 4 ASP A  49
ASP A  37
ASN A  32
GLU A  24
 None
 1.30A 3vywD-5wosA:
undetectable		 3vywD-5wosA:
17.26
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.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		4 GLU A 309
ASP A 315
ASP A 288
ASN A 295
 None
 1.35A 3vywD-5wq6A:
undetectable		 3vywD-5wq6A:
21.64
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.
5xzu BETA-XYLANASE

(Bispora sp.
MEY-1) 		no annotation 4 GLU A 249
ASP A 290
ASN A  49
GLU A  92
 CBI  A 404 (-2.7A)
None
CBI  A 404 (-3.2A)
CBI  A 404 (-3.8A)
 1.08A 3vywD-5xzuA:
1.5		 3vywD-5xzuA:
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.
5z9x SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 4 GLU A 146
ASP A 195
ASP A 187
GLU A 194
 MG  A 503 (-3.1A)
None
None
None
 1.39A 3vywD-5z9xA:
undetectable		 3vywD-5z9xA:
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.
6anv ANTI-CRISPR PROTEIN
ACRF1 FUSED WITH
C-TERMINAL MBP TAG

(Escherichia
coli;
Pseudomonas
phage JBD30) 		no annotation 4 GLU A 388
ASP A 394
ASP A 367
ASN A 374
 None
 1.34A 3vywD-6anvA:
undetectable		 3vywD-6anvA:
22.08
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1

(Escherichia
coli;
Homo sapiens) 		no annotation 4 GLU A 308
ASP A 314
ASP A 287
ASN A 294
 None
 1.39A 3vywD-6apxA:
undetectable		 3vywD-6apxA:
20.86
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.
6c3b UNCHARACTERIZED
PROTEIN

(Streptomyces
cattleya) 		no annotation 4 ASP A 137
ASP A 198
ASN A 166
GLU A 138
 None
LLP  A 235 ( 2.8A)
EDO  A 403 ( 4.7A)
EDO  A 405 ( 4.6A)
 1.23A 3vywD-6c3bA:
2.2		 3vywD-6c3bA:
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.
6d6q EXOSOME RNA HELICASE
MTR4

(Homo sapiens) 		no annotation 4 GLU M 261
ASP M 884
ASN M 568
GLU M 885
 None
 1.28A 3vywD-6d6qM:
2.4		 3vywD-6d6qM:
undetectable