SIMILAR PATTERNS OF AMINO ACIDS FOR 3VYW_A_SAMA501

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.
1a2z PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermococcus
litoralis) 		PF01470
(Peptidase_C15) 		5 TYR A  74
TYR A 170
GLU A  80
ALA A 201
LEU A 125
 None
 1.02A 3vywA-1a2zA:
undetectable		 3vywA-1a2zA:
23.57
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.
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 3vywA-1azwA:
undetectable		 3vywA-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
 1.11A 3vywA-1cjyA:
undetectable		 3vywA-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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		5 TYR A 159
GLY A 315
GLY A 261
LEU A 262
GLU A 227
 CD  A 811 (-4.9A)
None
None
None
CD  A 811 (-3.2A)
 1.08A 3vywA-1cvmA:
undetectable		 3vywA-1cvmA:
21.49
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.
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
 1.10A 3vywA-1e6yA:
undetectable		 3vywA-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.
1f2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00274
(Glycolytic) 		5 GLY A 230
TYR A  14
GLU A  22
ALA A 184
LEU A 226
 None
 1.17A 3vywA-1f2jA:
undetectable		 3vywA-1f2jA:
23.21
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.
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
 1.03A 3vywA-1gl9B:
undetectable		 3vywA-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
 1.11A 3vywA-1ikpA:
undetectable		 3vywA-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.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		5 GLY A  17
GLY A  22
GLU A  27
ALA A  62
LEU A  46
 NDP  A 261 ( 4.8A)
None
None
None
None
 1.18A 3vywA-1ipfA:
5.3		 3vywA-1ipfA:
21.65
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.
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
 1.13A 3vywA-1itzA:
undetectable		 3vywA-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.
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
 1.18A 3vywA-1n8yC:
undetectable		 3vywA-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
ASN A 457
ALA A 132
PHE A 397
LEU A 145
 None
 0.85A 3vywA-1ogyA:
2.4		 3vywA-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) 		5 GLY A 120
GLY A 122
ALA A 132
PHE A 397
LEU A 145
 None
 1.03A 3vywA-1ogyA:
2.4		 3vywA-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
 1.15A 3vywA-1pgpA:
2.8		 3vywA-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.
1sgj CITRATE LYASE, BETA
SUBUNIT

(Deinococcus
radiodurans) 		PF03328
(HpcH_HpaI) 		5 TYR A 156
GLY A 133
GLY A 131
LEU A 160
PHE A 151
 None
 1.17A 3vywA-1sgjA:
2.4		 3vywA-1sgjA:
23.28
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 LEU A 112
TYR A 115
ASN A 117
GLU A  99
LEU A  75
 None
 1.15A 3vywA-1vbfA:
7.5		 3vywA-1vbfA:
25.71
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.
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
 1.08A 3vywA-1yrwA:
2.8		 3vywA-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
 1.14A 3vywA-1z7eA:
4.1		 3vywA-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
 1.18A 3vywA-1zunB:
undetectable		 3vywA-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.
2au3 DNA PRIMASE

(Aquifex
aeolicus) 		PF01807
(zf-CHC2)
PF08275
(Toprim_N)
PF13155
(Toprim_2) 		5 LEU A 257
ASN A 264
GLU A 249
ALA A 278
LEU A 309
 None
 1.16A 3vywA-2au3A:
undetectable		 3vywA-2au3A:
26.32
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.
2bas YKUI PROTEIN

(Bacillus
subtilis) 		PF00563
(EAL)
PF10388
(YkuI_C) 		6 TYR A 219
TYR A 188
GLY A 155
ASN A 153
ALA A 199
LEU A 206
 None
 1.50A 3vywA-2basA:
undetectable		 3vywA-2basA:
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.
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 3vywA-2ch6A:
undetectable		 3vywA-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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		5 TYR A 222
ASN A 224
ALA A 107
PHE A   6
LEU A  64
 None
 1.11A 3vywA-2cuyA:
undetectable		 3vywA-2cuyA:
24.93
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.
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
 1.10A 3vywA-2e0wA:
undetectable		 3vywA-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
 1.05A 3vywA-2e0xA:
undetectable		 3vywA-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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 GLY A 548
GLY A 253
ASN A 295
GLU A 273
LEU A 524
 None
 1.12A 3vywA-2et6A:
4.0		 3vywA-2et6A:
19.84
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		6 GLY A 548
GLY A 253
LEU A 286
GLU A 273
PHE A 256
LEU A 524
 None
 1.30A 3vywA-2et6A:
4.0		 3vywA-2et6A:
19.84
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.
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
 1.12A 3vywA-2f2aA:
undetectable		 3vywA-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.
2ggs 273AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Sulfurisphaera
tokodaii) 		PF04321
(RmlD_sub_bind) 		5 TYR A  39
GLY A  38
ALA A  65
PHE A  52
LEU A  43
 None
None
NDP  A 900 (-3.7A)
None
NDP  A 900 (-3.8A)
 1.17A 3vywA-2ggsA:
2.7		 3vywA-2ggsA:
25.84
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.
2gzs IROE PROTEIN

(Escherichia
coli) 		PF00756
(Esterase) 		5 GLY A 187
GLY A 192
LEU A 193
GLU A 243
ALA A 298
 None
 0.95A 3vywA-2gzsA:
undetectable		 3vywA-2gzsA:
21.66
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 TYR A 254
GLY A  94
GLY A  90
LEU A  89
GLU A 270
 None
 1.13A 3vywA-2h1yA:
undetectable		 3vywA-2h1yA:
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.
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
 1.18A 3vywA-2i9kA:
6.9		 3vywA-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
 0.95A 3vywA-2nqoA:
undetectable		 3vywA-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.
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
 1.18A 3vywA-2p4qA:
3.3		 3vywA-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.
2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE

(Aneurinibacillus
thermoaerophilus) 		PF16363
(GDP_Man_Dehyd) 		5 TYR A 118
GLY A 113
LEU A 134
GLU A 130
PHE A 168
 None
 1.10A 3vywA-2pk3A:
undetectable		 3vywA-2pk3A:
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 369
GLY A 371
GLU A 366
ALA A 101
LEU A 108
 None
 0.98A 3vywA-2qjjA:
2.0		 3vywA-2qjjA:
23.44
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.
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
 0.68A 3vywA-2qy6A:
23.1		 3vywA-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
 1.20A 3vywA-2qzuA:
undetectable		 3vywA-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.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae) 		PF00756
(Esterase) 		5 TYR A  79
GLY A 118
GLY A 122
TYR A 124
LEU A  39
 None
 1.04A 3vywA-2uz0A:
undetectable		 3vywA-2uz0A:
22.39
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.
2w9x PUTATIVE ACETYL
XYLAN ESTERASE

(Cellvibrio
japonicus) 		PF00657
(Lipase_GDSL) 		5 GLY A 243
GLY A 149
GLU A 146
PHE A 276
LEU A 291
 None
 1.14A 3vywA-2w9xA:
undetectable		 3vywA-2w9xA:
22.93
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.
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 3vywA-2wgeA:
undetectable		 3vywA-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.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 GLY A  83
GLY A  73
GLU A  75
ALA A 160
LEU A 157
 None
 1.16A 3vywA-2ww9A:
undetectable		 3vywA-2ww9A:
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 350
GLY A 352
GLU A 347
ALA A 117
LEU A 124
 None
 1.12A 3vywA-3eezA:
3.2		 3vywA-3eezA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 3vywA-3gvzA:
undetectable		 3vywA-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
 1.19A 3vywA-3h09A:
undetectable		 3vywA-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
 1.19A 3vywA-3h32B:
undetectable		 3vywA-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.
3hst PROTEIN
RV2228C/MT2287

(Mycobacterium
tuberculosis) 		PF13456
(RVT_3) 		5 GLY B  52
GLY B  21
LEU B 125
GLU B   6
LEU B  57
 None
 1.10A 3vywA-3hstB:
2.1		 3vywA-3hstB:
19.51
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.
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
 1.16A 3vywA-3il7A:
undetectable		 3vywA-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
 1.09A 3vywA-3ktnA:
undetectable		 3vywA-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.
3lf2 SHORT CHAIN
OXIDOREDUCTASE
Q9HYA2

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  21
GLU A  26
ALA A  63
LEU A  45
 NDP  A 301 ( 4.6A)
None
None
None
None
 1.08A 3vywA-3lf2A:
3.4		 3vywA-3lf2A:
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.
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
 1.19A 3vywA-3lrkA:
undetectable		 3vywA-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
 1.09A 3vywA-3nd0A:
undetectable		 3vywA-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.
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)
 0.22A 3vywA-3ps9A:
22.3		 3vywA-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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
ASN A  72
LYS A 102
PHE A 180
 None
 0.81A 3vywA-3pvcA:
20.0		 3vywA-3pvcA:
17.72
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 366
GLY A 368
GLU A 363
ALA A 107
LEU A 114
 None
 1.11A 3vywA-3s47A:
2.1		 3vywA-3s47A:
21.93
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		5 GLY A  77
GLY A  31
GLU A  57
ALA A 234
LEU A 227
 None
 1.13A 3vywA-3tmgA:
undetectable		 3vywA-3tmgA:
24.11
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.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 346
GLY A 348
GLU A 343
ALA A  97
LEU A 104
 None
 0.98A 3vywA-3u4fA:
undetectable		 3vywA-3u4fA:
21.20
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)
 1.42A 3vywA-3vywA:
54.1		 3vywA-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
GLY A 104
GLY A 106
LEU A 107
TYR A 109
ASN A 110
LYS A 134
GLU A 135
ALA A 175
PHE A 195
LEU A 203
 None
SAM  A 501 (-4.5A)
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)
None
SAM  A 501 (-3.8A)
SAM  A 501 (-3.7A)
SAM  A 501 (-4.6A)
 0.00A 3vywA-3vywA:
54.1		 3vywA-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.
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
 1.13A 3vywA-4c7vA:
2.5		 3vywA-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
 1.02A 3vywA-4d65A:
undetectable		 3vywA-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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 371
GLY A 373
GLU A 368
ALA A 101
LEU A 108
 None
 1.03A 3vywA-4e4fA:
undetectable		 3vywA-4e4fA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fi4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Caulobacter sp.
K31) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 370
GLY A 372
GLU A 367
ALA A 102
LEU A 109
 None
 1.03A 3vywA-4fi4A:
undetectable		 3vywA-4fi4A:
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.
4gis ENOLASE

(Vibrio harveyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 364
GLY A 366
GLU A 361
ALA A 105
LEU A 112
 None
 1.17A 3vywA-4gisA:
undetectable		 3vywA-4gisA:
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 382
GLY A 384
GLU A 379
ALA A 112
LEU A 119
 None
 1.07A 3vywA-4il2A:
undetectable		 3vywA-4il2A:
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.
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
 1.19A 3vywA-4kfvA:
undetectable		 3vywA-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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 192
GLY A 190
LEU A 128
TYR A 132
GLU A 121
 None
 1.15A 3vywA-4l7tA:
undetectable		 3vywA-4l7tA:
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.
4mbz MAJOR CAPSID PROTEIN
VP1

(African green
monkey
polyomavirus) 		PF00718
(Polyoma_coat) 		5 TYR A 222
GLY A 156
ASN A 216
PHE A 153
LEU A 262
 None
None
None
IPA  A 405 (-4.6A)
None
 1.19A 3vywA-4mbzA:
undetectable		 3vywA-4mbzA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		5 GLY A 356
GLY A 366
LEU A 361
TYR A 363
GLU A 391
 None
 1.14A 3vywA-4n0rA:
undetectable		 3vywA-4n0rA:
21.37
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.
4pve POLLEN ALLERGEN PHL
P 4.0202

(Phleum pratense) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 TYR A 436
GLY A 208
TYR A  88
ALA A 203
LEU A 474
 FAD  A 601 (-4.5A)
None
FAD  A 601 ( 3.7A)
None
None
 1.17A 3vywA-4pveA:
undetectable		 3vywA-4pveA:
21.06
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.
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 3vywA-4q1qA:
undetectable		 3vywA-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
 1.17A 3vywA-4qjyA:
undetectable		 3vywA-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
 1.09A 3vywA-4qqfD:
undetectable		 3vywA-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.
4rgy ESTERASE

(uncultured
bacterium FLS12) 		PF00756
(Esterase) 		5 TYR A  85
GLY A 123
GLY A 127
TYR A 129
LEU A  45
 None
 1.10A 3vywA-4rgyA:
undetectable		 3vywA-4rgyA:
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.
4rot ESTERASE A

(Streptococcus
pyogenes) 		PF00756
(Esterase) 		5 TYR A  82
GLY A 121
GLY A 125
TYR A 127
LEU A  42
 None
 1.05A 3vywA-4rotA:
undetectable		 3vywA-4rotA:
25.07
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.
4trt DNA POLYMERASE III
SUBUNIT BETA

(Deinococcus
radiodurans) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 GLY A  47
LEU A  18
ASN A  49
GLU A  37
PHE A 120
 None
 1.07A 3vywA-4trtA:
undetectable		 3vywA-4trtA:
22.70
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.
4us5 LUCIFERASE-LIKE
MONOOXYGENASE

(Streptomyces
bottropensis) 		PF00296
(Bac_luciferase) 		5 GLY A  72
GLY A  74
LEU A 167
GLU A  43
LEU A  93
 None
None
None
NA  A1338 (-3.2A)
None
 1.11A 3vywA-4us5A:
undetectable		 3vywA-4us5A:
23.38
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.
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 3vywA-4wyrA:
undetectable		 3vywA-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)
 1.12A 3vywA-4ybnA:
undetectable		 3vywA-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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 TYR A 389
GLY A 280
GLY A 283
LYS A 273
GLU A 378
 None
 1.18A 3vywA-4yhjA:
undetectable		 3vywA-4yhjA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztu DNA POLYMERASE
SUBUNIT GAMMA-2,
MITOCHONDRIAL

(Homo sapiens) 		PF03129
(HGTP_anticodon) 		5 GLY B 345
LEU B 299
TYR B 290
GLU B 236
LEU B 110
 None
 1.10A 3vywA-4ztuB:
undetectable		 3vywA-4ztuB:
22.62
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.
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
 1.16A 3vywA-5b26A:
undetectable		 3vywA-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
 1.17A 3vywA-5b2dA:
undetectable		 3vywA-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.
5c53 POL GAMMA B

(Homo sapiens) 		PF03129
(HGTP_anticodon) 		5 GLY B 345
LEU B 299
TYR B 290
GLU B 236
LEU B 110
 None
 1.11A 3vywA-5c53B:
undetectable		 3vywA-5c53B:
15.96
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.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 GLY A  51
LEU A 133
ALA A  89
PHE A  85
LEU A  87
 None
 1.11A 3vywA-5gw7A:
undetectable		 3vywA-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.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		5 TYR A  35
GLY A  67
GLY A   9
ALA A 267
LEU A  65
 None
 1.07A 3vywA-5hn4A:
undetectable		 3vywA-5hn4A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kt0 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Trichormus
variabilis) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 GLY A  83
GLY A  87
GLU A  54
ALA A  70
LEU A  67
 None
 1.13A 3vywA-5kt0A:
2.3		 3vywA-5kt0A:
23.43
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.
5lvy ADHESIN PROTEIN

(Escherichia
coli) 		no annotation 5 GLY A  80
TYR A  33
ASN A  35
PHE A  54
LEU A  13
 None
 1.11A 3vywA-5lvyA:
undetectable		 3vywA-5lvyA:
17.09
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.
5mrr LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 5 TYR A  82
GLY A 146
GLY A   6
GLU A   8
ALA A  34
 None
 1.10A 3vywA-5mrrA:
undetectable		 3vywA-5mrrA:
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.
5mrt LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 5 TYR A  86
GLY A 151
GLY A   6
GLU A   8
ALA A  38
 None
 1.03A 3vywA-5mrtA:
undetectable		 3vywA-5mrtA:
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.
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
 1.10A 3vywA-5nd5A:
2.7		 3vywA-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
 1.02A 3vywA-5nxnA:
undetectable		 3vywA-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
 0.76A 3vywA-5nxnA:
undetectable		 3vywA-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
 1.09A 3vywA-5o4gC:
undetectable		 3vywA-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
 1.11A 3vywA-5oynA:
undetectable		 3vywA-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.
5tkf LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		5 GLY A  19
GLY A  17
LEU A  16
GLU A 170
LEU A 174
 None
 1.18A 3vywA-5tkfA:
undetectable		 3vywA-5tkfA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3vywA-5uncA:
undetectable		 3vywA-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.
5vol PUTATIVE ESTERASE

(Bacteroides
intestinalis) 		PF00756
(Esterase) 		5 GLY A 155
GLY A 150
LEU A  62
GLU A  68
LEU A 238
 None
 1.18A 3vywA-5volA:
undetectable		 3vywA-5volA:
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.
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
 1.00A 3vywA-6b5vA:
undetectable		 3vywA-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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 TYR L 322
GLY L 302
GLU L 305
ALA L 381
PHE L 370
 None
 1.16A 3vywA-6ehsL:
undetectable		 3vywA-6ehsL:
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
 1.13A 3vywA-1br2A:
undetectable		 3vywA-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.
1cp9 PENICILLIN G AMIDASE
PENICILLIN G AMIDASE

(Providencia
rettgeri;
Providencia
rettgeri) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		4 HIS B  92
ASP B  73
ASP B 216
GLU A 150
 None
CA  B 554 (-2.2A)
None
CA  B 554 (-3.4A)
 1.33A 3vywA-1cp9B:
undetectable		 3vywA-1cp9B:
19.53
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		4 GLU E 107
ASP E 110
ASP E 118
ASN E  52
 None
 1.24A 3vywA-1cziE:
undetectable		 3vywA-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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 HIS A  79
GLU A 238
ASP A  30
ASP A  38
 None
None
GDP  A 500 (-4.3A)
None
 1.31A 3vywA-1dj3A:
undetectable		 3vywA-1dj3A:
21.78
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 HIS A1223
ASP A1535
ASN A1541
GLU A1544
 None
 1.33A 3vywA-1e6yA:
undetectable		 3vywA-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.
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
 1.20A 3vywA-1fw3A:
undetectable		 3vywA-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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		4 GLU A 418
ASP A 343
ASP A 413
GLU A 342
 None
 1.30A 3vywA-1gkpA:
undetectable		 3vywA-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
 1.33A 3vywA-1hsjA:
undetectable		 3vywA-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
 1.18A 3vywA-1iayA:
2.5		 3vywA-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.
1jmz AMINE DEHYDROGENASE
AMINE DEHYDROGENASE

(Pseudomonas
putida;
Pseudomonas
putida) 		no annotation
PF08992
(QH-AmDH_gamma) 		4 HIS B 295
GLU G  66
ASP B 317
ASN B  18
 None
 1.19A 3vywA-1jmzB:
undetectable		 3vywA-1jmzB:
22.19
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		4 GLU A 419
ASP A 344
ASP A 414
GLU A 343
 None
 1.34A 3vywA-1k1dA:
undetectable		 3vywA-1k1dA:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 3vywA-1k7hA:
undetectable		 3vywA-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.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		4 HIS A 434
GLU A 114
ASP A  67
GLU A  66
 HEM  A1523 (-3.2A)
CA  A1526 ( 3.4A)
None
None
 1.33A 3vywA-1oahA:
undetectable		 3vywA-1oahA:
19.70
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 HIS A  57
ASP A  69
ASP A 279
ASN A 285
 NI  A9001 (-3.3A)
None
NI  A9001 (-2.6A)
None
 1.05A 3vywA-1p1mA:
undetectable		 3vywA-1p1mA:
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.
1qd6 PROTEIN (OUTER
MEMBRANE
PHOSPHOLIPASE
(OMPLA))

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP C 251
ASP C 149
ASN C 145
GLU C 111
 None
 1.07A 3vywA-1qd6C:
undetectable		 3vywA-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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 HIS A 536
ASP A 430
ASN A 286
GLU A 372
 None
 1.28A 3vywA-1rw9A:
undetectable		 3vywA-1rw9A:
17.17
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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 HIS A 183
GLU A 398
ASP A 143
GLU A 146
 None
 1.24A 3vywA-1s1fA:
undetectable		 3vywA-1s1fA:
23.25
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.
1s4o GLYCOLIPID
2-ALPHA-MANNOSYLTRAN
SFERASE

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 HIS A 350
ASP A 346
ASN A 298
GLU A 300
 None
 1.27A 3vywA-1s4oA:
undetectable		 3vywA-1s4oA:
20.44
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.
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)
 1.33A 3vywA-1tezA:
undetectable		 3vywA-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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 GLU A 984
ASP A 933
ASP A 847
ASN A 855
 None
None
CA  A2010 ( 2.8A)
None
 1.24A 3vywA-1ux6A:
undetectable		 3vywA-1ux6A:
17.33
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.
1w7j MYOSIN LIGHT CHAIN 1

(Homo sapiens) 		no annotation 4 GLU B 124
ASP B  34
ASN B  45
GLU B 118
 None
 1.19A 3vywA-1w7jB:
undetectable		 3vywA-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 3vywA-1y4cA:
undetectable		 3vywA-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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		4 HIS A 173
GLU A 122
ASP A 126
ASP A 150
 None
 1.25A 3vywA-1yb2A:
4.2		 3vywA-1yb2A:
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.
2b2x ANTIBODY AQC2 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS L 202
GLU L 104
ASP L  17
ASP L 114
 None
 1.09A 3vywA-2b2xL:
undetectable		 3vywA-2b2xL:
21.72
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.
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
 1.23A 3vywA-2cu2A:
undetectable		 3vywA-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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 4 HIS I 262
ASP I 395
ASP I 322
GLU I 394
 NGT  A  21 (-3.4A)
None
NGT  A  21 (-3.2A)
None
 1.25A 3vywA-2gk1I:
undetectable		 3vywA-2gk1I:
23.15
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.
2pkh HISTIDINE
UTILIZATION
REPRESSOR

(Pseudomonas
syringae group
genomosp. 3) 		PF07702
(UTRA) 		4 HIS A 140
GLU A 200
ASP A 156
GLU A 195
 None
EDO  A1014 (-4.2A)
None
None
 1.29A 3vywA-2pkhA:
undetectable		 3vywA-2pkhA:
19.52
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 S4M  A 501 (-3.7A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-2.6A)
 1.27A 3vywA-2pt6A:
7.1		 3vywA-2pt6A:
22.39
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLU A 121
ASP A 176
ASP A 198
ASN A 205
 None
 0.85A 3vywA-2qy6A:
23.1		 3vywA-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.
2y6e UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 4

(Homo sapiens) 		PF00443
(UCH) 		4 ASP A 403
ASP A 449
ASN A 410
GLU A 407
 None
 1.30A 3vywA-2y6eA:
undetectable		 3vywA-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)
 1.28A 3vywA-2yjqA:
undetectable		 3vywA-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
 1.00A 3vywA-2yn2A:
undetectable		 3vywA-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 3vywA-3a3cA:
undetectable		 3vywA-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.
3b0p TRNA-DIHYDROURIDINE
SYNTHASE

(Thermus
thermophilus) 		PF01207
(Dus) 		4 HIS A 278
GLU A  57
ASP A  16
GLU A  48
 None
 1.31A 3vywA-3b0pA:
undetectable		 3vywA-3b0pA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ckl SULFOTRANSFERASE
FAMILY CYTOSOLIC 1B
MEMBER 1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 HIS A 243
GLU A  56
ASP A  66
GLU A  68
 None
 0.88A 3vywA-3cklA:
undetectable		 3vywA-3cklA:
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		4 HIS A 317
GLU A 354
ASP A 360
ASN A 270
 None
 1.15A 3vywA-3cuxA:
undetectable		 3vywA-3cuxA:
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.
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
 1.31A 3vywA-3dm0A:
undetectable		 3vywA-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.
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 3vywA-3emqA:
undetectable		 3vywA-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.
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
 1.32A 3vywA-3f5fA:
undetectable		 3vywA-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.
3g1n E3 UBIQUITIN-PROTEIN
LIGASE HUWE1

(Homo sapiens) 		PF00632
(HECT) 		4 HIS A4326
GLU A4147
ASP A4346
GLU A4162
 None
 1.27A 3vywA-3g1nA:
undetectable		 3vywA-3g1nA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.20A 3vywA-3go7A:
2.7		 3vywA-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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 163
ASP A 224
ASP A 339
GLU A 227
 C2O  A1002 (-3.3A)
None
None
None
 1.33A 3vywA-3gyrA:
undetectable		 3vywA-3gyrA:
18.88
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.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		4 HIS A 330
ASP A 283
ASP A 291
ASN A 309
 None
 1.34A 3vywA-3h8lA:
undetectable		 3vywA-3h8lA:
22.73
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
PF01257
(2Fe-2S_thioredx) 		4 HIS 2 174
ASP 1  30
ASP 1 109
GLU 1 151
 None
 1.28A 3vywA-3i9v2:
undetectable		 3vywA-3i9v2:
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.
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)
 1.25A 3vywA-3ik2A:
undetectable		 3vywA-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.
3jro NUCLEOPORIN NUP84

(Saccharomyces
cerevisiae) 		PF04121
(Nup84_Nup100) 		4 HIS C 341
ASP C  58
ASP C  67
GLU C  59
 None
 1.30A 3vywA-3jroC:
undetectable		 3vywA-3jroC:
22.71
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.
3kfu ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Thermus
thermophilus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 HIS F  11
ASP F 188
ASN F 210
GLU F 245
 MG  F 674 (-3.5A)
None
G  L  73 ( 3.8A)
G  L  73 ( 4.9A)
 1.26A 3vywA-3kfuF:
undetectable		 3vywA-3kfuF:
21.06
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.
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
 1.34A 3vywA-3l2jA:
undetectable		 3vywA-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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		4 HIS A  90
ASP A 103
ASP A 331
ASN A 337
 CA  A 471 (-3.6A)
None
CA  A 471 (-2.7A)
None
 0.96A 3vywA-3lnpA:
undetectable		 3vywA-3lnpA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 3vywA-3n93A:
undetectable		 3vywA-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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		4 GLU A 308
ASP A 563
ASP A 287
ASN A 294
 None
 1.33A 3vywA-3osrA:
undetectable		 3vywA-3osrA:
18.97
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.
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)
 0.64A 3vywA-3ps9A:
22.3		 3vywA-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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		4 GLU A 419
ASP A 344
ASP A 414
GLU A 343
 None
 1.28A 3vywA-3sfwA:
undetectable		 3vywA-3sfwA:
22.62
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.
3teb ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Leptotrichia
buccalis) 		PF03372
(Exo_endo_phos) 		4 HIS A 254
GLU A  90
ASP A 173
ASN A 142
 None
 1.18A 3vywA-3tebA:
3.0		 3vywA-3tebA:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		4 HIS A  65
ASP A 466
ASP A  78
GLU A 468
 None
 1.29A 3vywA-3vilA:
undetectable		 3vywA-3vilA:
21.55
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 HIS A  68
GLU A 133
ASP A 174
ASP A 193
ASN A 200
GLU A 202
 SAM  A 501 (-4.2A)
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)
 0.00A 3vywA-3vywA:
54.1		 3vywA-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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		4 HIS A 152
GLU A  42
ASP A 115
GLU A  95
 GOL  A 302 (-3.9A)
None
GOL  A 302 (-2.8A)
None
 1.17A 3vywA-3we7A:
2.8		 3vywA-3we7A:
23.48
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.
3wic GLUCOSE
1-DEHYDROGENASE

(Thermoplasma
volcanium) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		4 HIS A  68
GLU A 353
ASP A  44
GLU A 342
 ZN  A1001 (-3.3A)
None
None
None
 1.26A 3vywA-3wicA:
2.3		 3vywA-3wicA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 HIS A 485
GLU A 421
ASP A 344
ASP A 482
 None
None
GLC  A 801 (-2.4A)
None
 1.34A 3vywA-3wiqA:
undetectable		 3vywA-3wiqA:
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.
3wl4 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF02585
(PIG-L) 		4 HIS A 148
GLU A  38
ASP A 111
GLU A  91
 TAM  A 309 (-4.8A)
None
None
None
 1.17A 3vywA-3wl4A:
2.9		 3vywA-3wl4A:
24.70
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.
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
 1.32A 3vywA-3wsuA:
undetectable		 3vywA-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.
4bed HEMOCYANIN KLH1
HEMOCYANIN KLH1

(Megathura
crenulata;
Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS B2478
ASP B2248
ASP A1188
ASN B2430
 None
 1.32A 3vywA-4bedB:
undetectable		 3vywA-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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 HIS A  74
ASP A  86
ASP A 309
ASN A 315
 ZN  A 501 (-3.2A)
None
ZN  A 501 (-2.6A)
GOL  A 503 ( 4.9A)
 0.95A 3vywA-4dykA:
undetectable		 3vywA-4dykA:
21.93
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		4 HIS A  80
ASP A  92
ASP A 315
ASN A 321
 ZN  A 504 (-3.1A)
None
ZN  A 505 ( 2.0A)
None
 0.93A 3vywA-4dzhA:
undetectable		 3vywA-4dzhA:
20.85
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		4 HIS A 128
GLU A 124
ASP A   5
GLU A  23
 None
 1.28A 3vywA-4fgmA:
undetectable		 3vywA-4fgmA:
20.24
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.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		4 HIS A 271
ASP A 378
ASP A 364
ASN A 370
 None
 1.30A 3vywA-4fr2A:
undetectable		 3vywA-4fr2A:
21.78
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		4 HIS A 200
GLU A  26
ASP A  82
ASN A 105
 UNL  A 301 ( 4.7A)
None
None
None
 1.31A 3vywA-4h08A:
2.9		 3vywA-4h08A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		4 ASP A 487
ASP A 201
ASN A 195
GLU A 239
 None
 1.28A 3vywA-4jc8A:
3.0		 3vywA-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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 HIS A  66
GLU A 114
ASN A  56
GLU A  54
 None
None
EDO  A 306 (-3.6A)
EDO  A 306 (-3.8A)
 1.32A 3vywA-4ml9A:
2.4		 3vywA-4ml9A:
23.28
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.
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
 1.26A 3vywA-4pqkA:
undetectable		 3vywA-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.
4qb7 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13149
(Mfa_like_1) 		4 HIS A 186
GLU A  48
ASP A 159
ASN A  57
 None
 1.27A 3vywA-4qb7A:
undetectable		 3vywA-4qb7A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		4 HIS A 127
GLU A 265
ASP A  12
ASP A 310
 None
 0.97A 3vywA-4s13A:
undetectable		 3vywA-4s13A:
21.78
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.
4u08 LIC11098

(Leptospira
interrogans) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 HIS A 196
GLU A 127
ASP A  80
ASN A 147
 ZN  A 505 (-3.2A)
None
None
None
 1.13A 3vywA-4u08A:
undetectable		 3vywA-4u08A:
22.65
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 103
GLU A 147
ASP A 178
ASP A 196
 None
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 1.28A 3vywA-4uoeA:
15.6		 3vywA-4uoeA:
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.
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
 1.31A 3vywA-4xa2A:
undetectable		 3vywA-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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		4 HIS A 512
GLU A 316
ASP A 312
ASN A 134
 None
XYL  A2015 ( 2.9A)
None
GOL  A2011 (-3.0A)
 1.24A 3vywA-4xwhA:
undetectable		 3vywA-4xwhA:
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 GLU A 281
ASP A 303
ASP A 255
ASN A 143
 None
None
GOL  A 401 (-2.7A)
None
 1.04A 3vywA-4yv7A:
undetectable		 3vywA-4yv7A:
19.88
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.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		4 HIS A 131
GLU A 269
ASP A  11
ASP A 314
 None
 1.09A 3vywA-4zadA:
undetectable		 3vywA-4zadA:
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 4 HIS A  35
GLU A  81
ASP A 134
ASP A  39
 None
 1.30A 3vywA-5a0kA:
undetectable		 3vywA-5a0kA:
19.78
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.
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
 1.31A 3vywA-5azaA:
undetectable		 3vywA-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.
5co8 NUCLEASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 HIS A 168
GLU A 379
ASP A 375
GLU A  27
 None
 1.26A 3vywA-5co8A:
undetectable		 3vywA-5co8A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1
ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2
ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT

(Lactobacillus
delbrueckii;
Lactobacillus
delbrueckii;
Lactobacillus
delbrueckii) 		PF00005
(ABC_tran)
PF00005
(ABC_tran)
PF02361
(CbiQ) 		4 HIS A 202
GLU B  95
ASP D 210
ASN A  92
 ANP  A 301 (-4.6A)
None
None
None
 0.78A 3vywA-5d3mA:
undetectable		 3vywA-5d3mA:
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.
5dz2 GERMACRADIENOL/GEOSM
IN SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 HIS A  54
GLU A 237
ASP A  87
GLU A 161
 None
MG  A 402 ( 2.7A)
None
None
 0.97A 3vywA-5dz2A:
undetectable		 3vywA-5dz2A:
21.78
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.
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
 1.26A 3vywA-5eduB:
4.6		 3vywA-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
 1.21A 3vywA-5fd2A:
undetectable		 3vywA-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.
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
 1.24A 3vywA-5g52C:
undetectable		 3vywA-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.
5gr1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Cyanothece sp.
ATCC 51142) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 HIS A 233
GLU A 299
ASP A 352
ASN A 357
 None
 1.17A 3vywA-5gr1A:
undetectable		 3vywA-5gr1A:
17.06
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.
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 3vywA-5i4eA:
undetectable		 3vywA-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.
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
 1.33A 3vywA-5jonA:
undetectable		 3vywA-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.
5jpn COMPLEMENT C4-A
COMPLEMENT C4-A
COMPLEMENT C4-A

(Homo sapiens;
Homo sapiens;
Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
PF01759
(NTR)
PF07677
(A2M_recep) 		4 HIS B 836
GLU C1463
ASN A 240
GLU A 351
 None
 1.16A 3vywA-5jpnB:
undetectable		 3vywA-5jpnB:
17.49
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.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		4 GLU A 284
ASP A 278
ASP A 289
GLU A 266
 None
 1.30A 3vywA-5mkfA:
undetectable		 3vywA-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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 4 HIS A 144
ASP A 334
ASP A  95
GLU A 282
 None
None
None
TLA  A 501 (-3.4A)
 1.30A 3vywA-5muxA:
undetectable		 3vywA-5muxA:
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 4 HIS A  41
GLU A 285
ASP A 189
ASP A 204
 None
 1.05A 3vywA-5o7gA:
undetectable		 3vywA-5o7gA:
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.
5v4a GLYCOSYLTRANSFERASE
(DUF1792)

(Streptococcus
sanguinis) 		PF08759
(GT-D) 		4 HIS A 223
GLU A 147
ASP A 260
ASN A 157
 UDP  A 301 (-3.5A)
None
None
None
 1.30A 3vywA-5v4aA:
undetectable		 3vywA-5v4aA:
22.39
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		4 HIS A 474
GLU A 524
ASP A 551
ASP A 575
 None
SAH  A 705 (-2.7A)
SAH  A 705 (-3.4A)
SAH  A 705 (-3.6A)
 1.24A 3vywA-5wcjA:
5.5		 3vywA-5wcjA:
23.15
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.
5wos CNPV058 BCL-2 LIKE
PROTEIN

(Canarypox virus) 		no annotation 4 ASP A  49
ASP A  37
ASN A  32
GLU A  24
 None
 1.32A 3vywA-5wosA:
undetectable		 3vywA-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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 4 ASP A 645
ASP A 177
ASN A 650
GLU A 647
 None
 1.31A 3vywA-5x3jA:
undetectable		 3vywA-5x3jA:
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.
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 3vywA-5xzuA:
undetectable		 3vywA-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.
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 3vywA-6anvA:
undetectable		 3vywA-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.
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)
 1.29A 3vywA-6c3bA:
2.4		 3vywA-6c3bA:
undetectable