SIMILAR PATTERNS OF AMINO ACIDS FOR 3SUG_A_SUEA1201

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.
1cja PROTEIN
(ACTIN-FRAGMIN
KINASE)

(Physarum
polycephalum) 		PF09192
(Act-Frag_cataly) 		5 HIS A 244
GLY A 245
ARG A 205
ALA A 209
ASP A 197
 None
 1.06A 3sugA-1cjaA:
0.0		 3sugA-1cjaA:
22.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		9 HIS A  57
GLY A  58
VAL A  78
ASP A  81
ARG A 123
GLY A 137
PHE A 154
ALA A 157
ASP A 168
 None
 0.76A 3sugA-1cu1A:
34.9		 3sugA-1cu1A:
80.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		8 HIS A  57
VAL A  78
ARG A 123
GLY A 137
PHE A 154
ARG A 155
ALA A 157
ASP A 168
 None
 0.99A 3sugA-1cu1A:
34.9		 3sugA-1cu1A:
80.10
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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 HIS A 204
GLY A 157
ASP A 202
ALA A 106
ASP A 112
 None
 1.01A 3sugA-1dxyA:
undetectable		 3sugA-1dxyA:
19.77
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.
1f56 PLANTACYANIN

(Spinacia
oleracea) 		PF02298
(Cu_bind_like) 		5 GLY A  22
VAL A   2
GLY A  68
ALA A  90
ALA A  87
 None
 1.02A 3sugA-1f56A:
undetectable		 3sugA-1f56A:
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.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 VAL A  11
GLY A  18
ALA A  17
THR A  15
ALA A 100
 None
NAI  A1306 ( 4.2A)
None
None
NAI  A1306 (-3.4A)
 1.08A 3sugA-1gz6A:
undetectable		 3sugA-1gz6A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 534
GLY A 157
ALA A 150
ALA A 177
ASP A 180
 None
 1.07A 3sugA-1jscA:
undetectable		 3sugA-1jscA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 493
GLY A 157
ALA A 150
ALA A 177
ASP A 180
 None
 1.04A 3sugA-1jscA:
undetectable		 3sugA-1jscA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 VAL A 262
GLY A 354
ARG A 284
ALA A 311
ASP A 313
 GLC  A1700 (-4.8A)
None
None
None
None
 1.03A 3sugA-1kclA:
undetectable		 3sugA-1kclA:
14.87
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.
1kh2 ARGININOSUCCINATE
SYNTHETASE

(Thermus
thermophilus) 		PF00764
(Arginosuc_synth) 		5 GLY A 114
ALA A   6
PHE A  31
THR A  32
ALA A  33
 ATP  A 510 (-3.1A)
ATP  A 510 (-3.0A)
None
ATP  A 510 ( 4.7A)
ATP  A 510 (-3.9A)
 1.10A 3sugA-1kh2A:
undetectable		 3sugA-1kh2A:
20.56
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 340
ASP A 344
GLY A 163
THR A 313
ALA A 312
 None
FAD  A3000 (-3.4A)
FAD  A3000 (-3.2A)
FAD  A3000 (-3.9A)
None
 1.10A 3sugA-1m64A:
undetectable		 3sugA-1m64A:
17.12
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		5 GLY D 167
ASP D 164
ARG D 502
GLY D 357
ALA D 359
 None
 1.06A 3sugA-1mhzD:
undetectable		 3sugA-1mhzD:
16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		10 HIS A  57
GLY A  58
VAL A  78
ASP A  81
ARG A 123
GLY A 137
PHE A 154
ARG A 155
ALA A 157
ASP A 168
 None
 0.58A 3sugA-1ns3A:
30.3		 3sugA-1ns3A:
77.00
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.
1opc OMPR

(Escherichia
coli) 		PF00486
(Trans_reg_C) 		5 GLY A 164
VAL A 203
GLY A 191
ALA A 189
ASP A 183
 None
 1.04A 3sugA-1opcA:
undetectable		 3sugA-1opcA:
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 ARG A 279
GLY A 328
ALA A 330
ALA A 277
ASP A 280
 None
 1.09A 3sugA-1sb8A:
undetectable		 3sugA-1sb8A:
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 HIS A 294
GLY A 298
ALA A 134
ARG A 381
ALA A 128
 None
 1.07A 3sugA-1sp8A:
undetectable		 3sugA-1sp8A:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xg5 ARPG836

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  24
GLY A  40
ALA A  28
ARG A  29
ALA A  52
 None
 0.89A 3sugA-1xg5A:
undetectable		 3sugA-1xg5A:
20.76
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.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		5 GLY A 296
VAL A 361
GLY A 284
ALA A 294
ALA A 228
 None
 1.10A 3sugA-1zkdA:
undetectable		 3sugA-1zkdA:
19.64
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.
1zy1 PEPTIDE DEFORMYLASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF01327
(Pep_deformylase) 		5 GLY A 145
GLY A 190
ALA A 105
ARG A 123
ALA A 120
 None
 0.98A 3sugA-1zy1A:
undetectable		 3sugA-1zy1A:
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.
2gk3 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF07090
(GATase1_like) 		5 GLY A 123
VAL A 156
ASP A 154
GLY A  84
ALA A 134
 GOL  A1001 ( 4.2A)
None
None
None
None
 1.02A 3sugA-2gk3A:
undetectable		 3sugA-2gk3A:
19.77
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 GLY A  32
GLY A  64
ALA A  59
ARG A 166
ASP A 162
 None
 1.07A 3sugA-2h8xA:
undetectable		 3sugA-2h8xA:
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.
2ii1 ACETAMIDASE

(Bacillus
halodurans) 		PF03069
(FmdA_AmdA) 		5 GLY A 180
VAL A  56
ALA A 178
ALA A 137
ASP A  14
 None
 1.07A 3sugA-2ii1A:
undetectable		 3sugA-2ii1A:
22.74
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.
2jok PUTATIVE
G-NUCLEOTIDE
EXCHANGE FACTOR

(Burkholderia
pseudomallei) 		PF07487
(SopE_GEF) 		5 GLY A 160
ARG A 207
GLY A 150
ALA A 153
PHE A 229
 None
 1.09A 3sugA-2jokA:
undetectable		 3sugA-2jokA:
23.87
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.
2pcp IMMUNOGLOBULIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA B  24
PHE B  29
THR B  77
ALA B  78
ASP B  72
 None
 1.02A 3sugA-2pcpB:
undetectable		 3sugA-2pcpB:
20.18
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.
2r4s ANTIBODY FOR BETA2
ADRENOCEPTOR, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  24
PHE H  29
THR H  78
ALA H  79
ASP H  73
 None
 1.09A 3sugA-2r4sH:
undetectable		 3sugA-2r4sH:
26.47
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 VAL A 757
ARG A  10
GLY A  49
ALA A  47
ASP A  72
 None
 0.99A 3sugA-2r6fA:
undetectable		 3sugA-2r6fA:
14.20
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 415
VAL B 453
ARG B 362
ALA B 373
ARG B 372
 None
 1.07A 3sugA-2w55B:
undetectable		 3sugA-2w55B:
14.21
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.
2zal L-ASPARAGINASE

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 VAL A 113
GLY B 181
ALA B 194
ARG A 111
THR A  54
 None
 1.05A 3sugA-2zalA:
undetectable		 3sugA-2zalA:
21.15
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 354
ARG A 285
THR A 311
ALA A 312
ASP A 314
 None
CL  A 700 ( 4.1A)
CL  A 700 ( 4.9A)
None
None
 1.07A 3sugA-3bmwA:
undetectable		 3sugA-3bmwA:
15.30
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.
3bru REGULATORY PROTEIN,
TETR FAMILY

(Rhodobacter
sphaeroides) 		PF00440
(TetR_N)
PF16925
(TetR_C_13) 		5 GLY A 188
VAL A 127
ARG A 118
ALA A 193
PHE A 121
 None
 0.84A 3sugA-3bruA:
undetectable		 3sugA-3bruA:
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 131
ARG A 152
GLY A 157
ALA A 145
ALA A 170
 None
 0.97A 3sugA-3cboA:
undetectable		 3sugA-3cboA:
22.31
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 522
GLY A 162
ALA A 155
ALA A 182
ASP A 185
 None
None
None
None
FAB  A 701 ( 4.8A)
 0.94A 3sugA-3e9yA:
undetectable		 3sugA-3e9yA:
16.52
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.
3eoq PUTATIVE ZINC
PROTEASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY A 169
ARG A 214
ARG A 177
ALA A  34
ASP A  36
 None
 1.10A 3sugA-3eoqA:
undetectable		 3sugA-3eoqA:
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.
3god CAS1

(Pseudomonas
aeruginosa) 		PF01867
(Cas_Cas1) 		5 GLY A  87
ARG A 285
GLY A 219
ALA A 283
ASP A 287
 NA  A 326 (-4.5A)
None
None
None
None
 1.04A 3sugA-3godA:
undetectable		 3sugA-3godA:
20.30
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.
3it7 PROTEASE LASA

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		5 HIS A  55
GLY A  57
VAL A  52
GLY A  74
ALA A  76
 None
 1.07A 3sugA-3it7A:
undetectable		 3sugA-3it7A:
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.
3lkw FUSION PROTEIN OF
NONSTRUCTURAL
PROTEIN 2B AND
NONSTRUCTURAL
PROTEIN 3

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		5 HIS A 101
VAL A 122
ASP A 125
GLY A 183
ALA A 185
 GOL  A 303 (-3.7A)
None
GOL  A 303 ( 4.7A)
None
None
 0.34A 3sugA-3lkwA:
12.8		 3sugA-3lkwA:
22.31
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.
3nok GLUTAMINYL CYCLASE

(Myxococcus
xanthus) 		PF05096
(Glu_cyclase_2) 		5 GLY A 227
ARG A  80
GLY A  88
ARG A  66
THR A  59
 None
 0.97A 3sugA-3nokA:
undetectable		 3sugA-3nokA:
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.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		5 VAL A 319
ARG A 121
ALA A 228
THR A 225
ASP A 117
 None
 0.97A 3sugA-3o3pA:
undetectable		 3sugA-3o3pA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oaj PUTATIVE
RING-CLEAVING
DIOXYGENASE MHQO

(Bacillus
subtilis) 		PF00903
(Glyoxalase) 		5 GLY A  76
ARG A 188
THR A 158
ALA A 157
ASP A 200
 None
 0.66A 3sugA-3oajA:
undetectable		 3sugA-3oajA:
19.28
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 HIS A 630
VAL A 371
ASP A 373
ALA A 585
ARG A 354
 None
 1.10A 3sugA-3ob8A:
undetectable		 3sugA-3ob8A:
10.66
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.
3qlj SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 VAL A   8
GLY A  15
ALA A  14
THR A  12
ALA A 101
 None
 1.10A 3sugA-3qljA:
undetectable		 3sugA-3qljA:
23.22
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.
3qr3 ENDOGLUCANASE EG-II

(Trichoderma
reesei) 		PF00150
(Cellulase) 		5 GLY A  91
VAL A 141
GLY A  45
PHE A  50
ALA A 294
 None
 0.91A 3sugA-3qr3A:
undetectable		 3sugA-3qr3A:
20.18
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 HIS A 287
GLY A 288
ASP A 417
GLY A 302
ALA A 439
 FRU  A 902 (-4.0A)
None
None
FRU  A 902 ( 2.2A)
FRU  A 902 ( 3.7A)
 0.94A 3sugA-3s29A:
undetectable		 3sugA-3s29A:
11.45
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		5 GLY A 305
GLY A 234
ALA A 232
THR A 228
ALA A 227
 None
 1.08A 3sugA-3u7vA:
undetectable		 3sugA-3u7vA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upu ATP-DEPENDENT DNA
HELICASE DDA

(Escherichia
virus T4) 		PF13604
(AAA_30) 		5 HIS A 204
GLY A 203
VAL A 206
ASP A 435
ASP A 404
 None
 1.08A 3sugA-3upuA:
undetectable		 3sugA-3upuA:
19.77
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.
3upu ATP-DEPENDENT DNA
HELICASE DDA

(Escherichia
virus T4) 		PF13604
(AAA_30) 		5 HIS A 204
GLY A 203
VAL A 436
ASP A 435
ARG A 405
 None
 1.02A 3sugA-3upuA:
undetectable		 3sugA-3upuA:
19.77
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A  50
GLY A 420
ALA A 441
ARG A  55
ALA A 447
 FAD  A 702 (-3.0A)
FAD  A 702 (-3.6A)
FAD  A 702 ( 4.3A)
None
None
 0.97A 3sugA-3vrbA:
undetectable		 3sugA-3vrbA:
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.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2) 		5 ARG A  94
GLY A 123
PHE A 125
THR A 149
ASP A 151
 None
 0.95A 3sugA-3vszA:
undetectable		 3sugA-3vszA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		5 HIS A 146
GLY A 171
VAL A 144
THR A  80
ASP A  81
 None
 1.05A 3sugA-3w04A:
undetectable		 3sugA-3w04A:
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.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		5 GLY A 307
VAL A 302
GLY A  44
ALA A  47
ALA A 347
 None
 1.01A 3sugA-3wufA:
undetectable		 3sugA-3wufA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLY A  40
VAL A 132
ARG A 255
GLY A 319
ASP A 265
 None
 1.08A 3sugA-3zu4A:
undetectable		 3sugA-3zu4A:
21.25
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.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		5 GLY A 349
VAL A 281
GLY A  48
ALA A  49
ARG A 219
 None
 1.09A 3sugA-4ce7A:
undetectable		 3sugA-4ce7A:
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.
4chg PROBABLE
RIBONUCLEASE VAPC15

(Mycobacterium
tuberculosis) 		PF01850
(PIN) 		5 VAL A   3
ARG A  92
GLY A 125
ALA A 119
ASP A 116
 None
None
None
None
MN  A1133 (-3.0A)
 1.07A 3sugA-4chgA:
undetectable		 3sugA-4chgA:
20.59
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLY A  81
ARG A 701
GLY A 478
THR A 578
ALA A 285
 None
 1.08A 3sugA-4ddwA:
undetectable		 3sugA-4ddwA:
10.98
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.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		6 GLY A  39
ARG A 295
GLY A  44
ALA A  45
ALA A 296
ASP A 289
 None
 1.34A 3sugA-4dteA:
undetectable		 3sugA-4dteA:
19.79
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		5 GLY A 122
VAL A 162
GLY A 372
ALA A 375
ALA A 293
 None
 0.94A 3sugA-4f0lA:
undetectable		 3sugA-4f0lA:
18.89
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.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A  30
GLY A 373
ALA A 394
ALA A 365
ASP A 368
 None
 0.94A 3sugA-4f32A:
undetectable		 3sugA-4f32A:
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 VAL A 378
ARG A 259
GLY A 100
ALA A 211
ASP A 161
 None
 0.97A 3sugA-4kvlA:
undetectable		 3sugA-4kvlA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5a PROTEIN EFR3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 242
ARG A 205
GLY A 235
ALA A 239
ASP A 245
 None
 1.04A 3sugA-4n5aA:
undetectable		 3sugA-4n5aA:
17.13
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.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 102
ARG A 118
GLY A  96
ALA A 115
ASP A 113
 None
 1.02A 3sugA-4n5fA:
undetectable		 3sugA-4n5fA:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 HIS A  57
GLY A  58
VAL A  78
ASP A  81
GLY A 137
ARG A 155
 2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
None
2R8  A 301 (-3.6A)
GOL  A 305 ( 3.2A)
2R8  A 301 (-3.6A)
 0.89A 3sugA-4nwkA:
34.8		 3sugA-4nwkA:
98.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		7 HIS A  57
GLY A  58
VAL A  78
ASP A  81
GLY A 137
PHE A 154
ALA A 157
 2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
None
2R8  A 301 (-3.6A)
GOL  A 305 ( 3.2A)
2R8  A 301 (-3.7A)
2R8  A 301 (-3.8A)
 0.40A 3sugA-4nwkA:
34.8		 3sugA-4nwkA:
98.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		6 HIS A  57
GLY A  58
VAL A  78
GLY A 137
ARG A 155
ASP A 168
 2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
None
GOL  A 305 ( 3.2A)
2R8  A 301 (-3.6A)
2R8  A 301 ( 4.5A)
 1.11A 3sugA-4nwkA:
34.8		 3sugA-4nwkA:
98.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		7 HIS A  57
GLY A  58
VAL A  78
GLY A 137
PHE A 154
ALA A 157
ASP A 168
 2R8  A 301 (-3.3A)
2R8  A 301 (-3.5A)
None
GOL  A 305 ( 3.2A)
2R8  A 301 (-3.7A)
2R8  A 301 (-3.8A)
2R8  A 301 ( 4.5A)
 0.78A 3sugA-4nwkA:
34.8		 3sugA-4nwkA:
98.48
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.
4nzp ARGININOSUCCINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00764
(Arginosuc_synth) 		5 GLY A 121
ALA A  11
PHE A  36
THR A  37
ALA A  38
 None
 1.09A 3sugA-4nzpA:
undetectable		 3sugA-4nzpA:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A 191
GLY A 229
THR A 213
ALA A 232
ASP A 214
 None
None
None
289  A 416 (-3.5A)
None
 1.10A 3sugA-4q1qA:
undetectable		 3sugA-4q1qA:
24.68
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		5 HIS A 343
GLY A 309
ASP A 284
ARG A 257
ALA A 154
 ZN  A 502 ( 3.6A)
None
ZN  A 502 (-2.5A)
None
3PE  A 503 (-4.7A)
 1.04A 3sugA-4qn9A:
undetectable		 3sugA-4qn9A:
17.82
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.
4x2x NS6 PROTEASE

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 HIS A  30
ASP A  54
GLY A 137
ALA A 139
ALA A 160
 None
 0.42A 3sugA-4x2xA:
10.3		 3sugA-4x2xA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 HIS A  81
ASP A 111
GLY A 188
ALA A 190
THR A 206
 None
 1.01A 3sugA-4ynnA:
13.1		 3sugA-4ynnA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1h CYSTATHIONINE
BETA-SYNTHASE

(Lactobacillus
plantarum) 		PF00291
(PALP) 		5 ASP A 235
GLY A 183
ALA A 185
PHE A 171
ALA A 173
 None
 1.06A 3sugA-5b1hA:
undetectable		 3sugA-5b1hA:
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.
5da8 60 KDA CHAPERONIN

(Chlorobaculum
tepidum) 		PF00118
(Cpn60_TCP1) 		5 GLY A 416
VAL A 500
ASP A 496
GLY A 478
ALA A 492
 None
 1.10A 3sugA-5da8A:
undetectable		 3sugA-5da8A:
16.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		8 HIS A1057
GLY A1058
ARG A1123
GLY A1137
ALA A1139
PHE A1154
ALA A1157
ASP A1168
 5RS  A1203 (-2.5A)
5RS  A1203 ( 2.9A)
5RS  A1203 ( 3.3A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.4A)
5RS  A1203 (-3.3A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 4.0A)
 0.73A 3sugA-5eqqA:
36.4		 3sugA-5eqqA:
94.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		8 HIS A1057
GLY A1058
ARG A1123
GLY A1137
ALA A1139
PHE A1154
ARG A1155
ASP A1168
 5RS  A1203 (-2.5A)
5RS  A1203 ( 2.9A)
5RS  A1203 ( 3.3A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.4A)
5RS  A1203 (-3.3A)
5RS  A1203 (-4.8A)
5RS  A1203 ( 4.0A)
 1.03A 3sugA-5eqqA:
36.4		 3sugA-5eqqA:
94.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		9 HIS A1057
GLY A1058
VAL A1078
ASP A1081
ARG A1123
GLY A1137
ALA A1139
PHE A1154
ALA A1157
 5RS  A1203 (-2.5A)
5RS  A1203 ( 2.9A)
5RS  A1203 (-3.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 3.3A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.4A)
5RS  A1203 (-3.3A)
5RS  A1203 (-3.5A)
 0.41A 3sugA-5eqqA:
36.4		 3sugA-5eqqA:
94.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		9 HIS A1057
GLY A1058
VAL A1078
ASP A1081
ARG A1123
GLY A1137
ALA A1139
PHE A1154
ARG A1155
 5RS  A1203 (-2.5A)
5RS  A1203 ( 2.9A)
5RS  A1203 (-3.9A)
5RS  A1203 (-3.5A)
5RS  A1203 ( 3.3A)
5RS  A1203 (-3.2A)
5RS  A1203 (-3.4A)
5RS  A1203 (-3.3A)
5RS  A1203 (-4.8A)
 0.87A 3sugA-5eqqA:
36.4		 3sugA-5eqqA:
94.00
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.
5evl BETA-LACTAMASE

(Chromobacterium
violaceum) 		PF00144
(Beta-lactamase) 		5 GLY A  52
GLY A  28
ALA A  47
THR A  56
ASP A  58
 None
 0.97A 3sugA-5evlA:
undetectable		 3sugA-5evlA:
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.
5f4j PROTRUDING DOMAIN OF
GII.17 NOROVIRUS
CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 VAL A 294
GLY A 335
ALA A 354
ALA A 351
ASP A 378
 None
 1.06A 3sugA-5f4jA:
undetectable		 3sugA-5f4jA:
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 GLY A 331
GLY A 334
ALA A 348
PHE A 359
ASP A 356
 None
 1.10A 3sugA-5fkrA:
undetectable		 3sugA-5fkrA:
14.91
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.
5fzp DISPASE
AUTOLYSIS-INDUCING
PROTEIN

(Streptomyces
mobaraensis) 		no annotation 5 GLY A 143
ARG A 259
GLY A 186
ALA A 184
ALA A 204
 None
 0.99A 3sugA-5fzpA:
undetectable		 3sugA-5fzpA:
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.
5gju ATP-DEPENDENT RNA
HELICASE DEAD

(Escherichia
coli) 		PF00270
(DEAD) 		5 GLY A 152
VAL A 129
ALA A 184
PHE A 186
ALA A  59
 None
 1.02A 3sugA-5gjuA:
undetectable		 3sugA-5gjuA:
22.84
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.
5gkv ESTERASE A

(Caulobacter
vibrioides) 		PF00144
(Beta-lactamase) 		5 VAL A   7
ARG A 205
ARG A  32
THR A 257
ALA A 256
 None
 1.05A 3sugA-5gkvA:
undetectable		 3sugA-5gkvA:
21.30
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.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		6 GLY A  83
ARG A 111
GLY A  63
ALA A  96
ALA A  40
ASP A 113
 None
 1.35A 3sugA-5lhkA:
undetectable		 3sugA-5lhkA:
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.
5mhj MAJOR VIRAL
TRANSCRIPTION FACTOR
ICP4

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		5 GLY A 444
VAL A 425
GLY A 439
ALA A 435
ALA A 319
 None
 1.00A 3sugA-5mhjA:
undetectable		 3sugA-5mhjA:
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.
5mhk RS1

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		5 GLY A 444
VAL A 425
GLY A 439
ALA A 435
ALA A 319
 None
 1.01A 3sugA-5mhkA:
undetectable		 3sugA-5mhkA:
23.46
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A 574
ARG A 173
PHE A 236
THR A 235
ASP A 244
 None
 1.06A 3sugA-5t0lA:
undetectable		 3sugA-5t0lA:
16.22
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 HIS A  48
ASP A  46
GLY A 250
PHE A 279
ALA A 247
 None
 1.05A 3sugA-5tr7A:
undetectable		 3sugA-5tr7A:
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 GLY A 636
ARG A 785
ALA A 709
ALA A 747
ASP A 787
 None
 1.09A 3sugA-5uj6A:
undetectable		 3sugA-5uj6A:
13.05
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.
5usd PEPTIDASE S66

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		5 GLY A 194
GLY A 259
ALA A 196
THR A 313
ALA A 312
 None
 0.89A 3sugA-5usdA:
undetectable		 3sugA-5usdA:
18.45
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.
5vf6 SINGLE CHAIN
VARIABLE FRAGMENT

(Gallus gallus) 		no annotation 5 GLY A 178
GLY A 173
ALA A 181
THR A 192
ALA A 191
 None
 0.85A 3sugA-5vf6A:
undetectable		 3sugA-5vf6A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm0 CAMELID NANOBODY VHH
T9

(Lama glama) 		no annotation 5 GLY A  58
GLY A  52
ALA A  60
THR A  71
ALA A  70
 None
None
EDO  A 201 ( 3.8A)
EDO  A 201 ( 4.3A)
None
 0.95A 3sugA-5vm0A:
undetectable		 3sugA-5vm0A:
17.35
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.
5vn8 B12 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 5 ALA H  24
PHE H  29
THR H  77
ALA H  78
ASP H  72
 None
 1.08A 3sugA-5vn8H:
undetectable		 3sugA-5vn8H:
22.83
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 111
VAL A 103
GLY A  90
ALA A 114
ALA A 143
 None
 1.06A 3sugA-5w70A:
undetectable		 3sugA-5w70A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 6 ARG A 123
GLY A 137
PHE A 154
ARG A 155
ALA A 157
ASP A 168
 None
 1.01A 3sugA-5wdxA:
27.1		 3sugA-5wdxA:
21.68
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 7 HIS A  57
GLY A  58
ARG A 123
GLY A 137
PHE A 154
ALA A 157
ASP A 168
 None
 0.76A 3sugA-5wdxA:
27.1		 3sugA-5wdxA:
21.68
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 7 HIS A  57
GLY A  58
ASP A  81
ARG A 123
GLY A 137
PHE A 154
ALA A 157
 None
 0.52A 3sugA-5wdxA:
27.1		 3sugA-5wdxA:
21.68
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.
5ww4 PUTATIVE
STARVATION-INDUCED
DNA PROTECTING
PROTEIN/FERRITIN AND
DPS

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		6 GLY A  66
GLY A 142
ARG A  73
THR A 136
ALA A 137
ASP A 133
 None
 1.46A 3sugA-5ww4A:
undetectable		 3sugA-5ww4A:
20.28
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.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		5 ASP A 238
GLY A 184
ALA A 186
PHE A 172
ALA A 174
 None
 1.00A 3sugA-5xa2A:
undetectable		 3sugA-5xa2A:
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.
5xw3 O-ACETYLSERINE LYASE

(Bacillus
anthracis) 		PF00291
(PALP) 		5 ASP A 237
GLY A 185
ALA A 187
PHE A 173
ALA A 175
 None
 1.02A 3sugA-5xw3A:
undetectable		 3sugA-5xw3A:
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 GLY C 524
VAL C 267
ALA C 484
THR C 518
ALA C 519
 None
None
GOL  C 811 ( 3.7A)
GOL  C 811 (-4.8A)
None
 0.96A 3sugA-5y6qC:
undetectable		 3sugA-5y6qC:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 GLY B 974
ASP B 759
ARG B1017
ALA B 266
ALA B 292
 None
 0.91A 3sugA-6btmB:
undetectable		 3sugA-6btmB:
18.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 None
 0.58A 3sugA-1cu1A:
34.9		 3sugA-1cu1A:
80.10
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.
1e9y UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 GLN B 471
TYR B 475
LEU A  11
LYS A  10
 None
 1.35A 3sugA-1e9yB:
0.0		 3sugA-1e9yB:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ioo SF11-RNASE

(Nicotiana alata) 		PF00445
(Ribonuclease_T2) 		4 PHE A  29
TYR A 164
LEU A 111
LYS A 112
 None
None
None
NAG  A 197 (-2.9A)
 1.22A 3sugA-1iooA:
0.0		 3sugA-1iooA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kkh MEVALONATE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 GLN A 153
TYR A 146
LEU A  82
LYS A  79
 None
 1.42A 3sugA-1kkhA:
undetectable		 3sugA-1kkhA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 None
 0.85A 3sugA-1ns3A:
30.3		 3sugA-1ns3A:
77.00
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.
1rki HYPOTHETICAL PROTEIN

(Pyrobaculum
aerophilum) 		PF11424
(DUF3195) 		4 GLN A  56
TYR A  27
LEU A  63
LYS A  61
 None
 1.23A 3sugA-1rkiA:
undetectable		 3sugA-1rkiA:
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 GLN A  71
PHE A 422
TYR A 135
LEU A 425
 None
None
None
SRM  A 569 (-4.2A)
 1.45A 3sugA-1zj9A:
0.0		 3sugA-1zj9A:
17.57
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.
2bzw APOPTOSIS REGULATOR
BCL-X

(Mus musculus) 		PF00452
(Bcl-2)
PF02180
(BH4) 		4 PHE A 144
TYR A 173
LEU A  17
LYS A  16
 None
 1.48A 3sugA-2bzwA:
undetectable		 3sugA-2bzwA:
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 GLN G 163
PHE G 427
TYR G 311
LEU G 339
 None
 1.38A 3sugA-2uv8G:
0.0		 3sugA-2uv8G:
6.62
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.
2xa0 APOPTOSIS REGULATOR
BCL-2

(Homo sapiens) 		PF00452
(Bcl-2)
PF02180
(BH4) 		4 PHE A 151
TYR A 180
LEU A  23
LYS A  22
 None
 1.36A 3sugA-2xa0A:
undetectable		 3sugA-2xa0A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		4 GLN A 403
TYR A 412
LEU A 352
LYS A 353
 None
 1.32A 3sugA-3fnrA:
undetectable		 3sugA-3fnrA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		4 GLN A 336
PHE A 333
TYR A 261
LYS A 313
 None
 1.43A 3sugA-3k8kA:
undetectable		 3sugA-3k8kA:
15.22
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		4 PHE A 178
TYR A 327
LEU A 154
LYS A 151
 None
 1.40A 3sugA-3w9iA:
undetectable		 3sugA-3w9iA:
11.07
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.
4cvq GLUTAMATE-PYRUVATE
AMINOTRANSFERASE
ALAA

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 GLN A 358
PHE A 398
LEU A  36
LYS A 360
 None
 1.27A 3sugA-4cvqA:
undetectable		 3sugA-4cvqA:
19.10
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 187
TYR A 350
LEU A 192
LYS A 191
 None
 1.27A 3sugA-4it1A:
undetectable		 3sugA-4it1A:
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		4 PHE A  54
TYR A  93
LEU A  11
LYS A  42
 None
 1.43A 3sugA-4kr8A:
undetectable		 3sugA-4kr8A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		4 GLN A 116
TYR A 109
LEU A  61
LYS A  62
 None
 1.41A 3sugA-4kvfA:
undetectable		 3sugA-4kvfA:
23.47
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.
4lq6 N-ACETYMURAMYL-L-ALA
NINE AMIDASE-RELATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01520
(Amidase_3) 		4 GLN A 213
PHE A 209
TYR A 170
LEU A 202
 None
 1.47A 3sugA-4lq6A:
undetectable		 3sugA-4lq6A:
24.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nwk HCV NS3 1A PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		4 GLN A  41
PHE A  43
TYR A  56
LEU A 135
 2R8  A 301 ( 3.5A)
2R8  A 301 (-4.6A)
None
2R8  A 301 (-4.4A)
 0.58A 3sugA-4nwkA:
34.8		 3sugA-4nwkA:
98.48
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.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 GLN C  22
TYR C  16
LEU C 230
LYS C 228
 UQ6  C4005 (-2.8A)
None
None
None
 1.05A 3sugA-4pd4C:
undetectable		 3sugA-4pd4C:
19.38
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		4 GLN A 207
PHE A 221
TYR A  72
LEU A 203
 None
 1.41A 3sugA-4y5rA:
undetectable		 3sugA-4y5rA:
22.16
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 GLN A 404
TYR A 598
LEU A 477
LYS A 476
 None
 1.28A 3sugA-5dkxA:
undetectable		 3sugA-5dkxA:
12.62
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 PHE A 110
TYR A 404
LEU A  89
LYS A  87
 None
None
EDO  A 505 (-4.4A)
None
 1.02A 3sugA-5e4rA:
undetectable		 3sugA-5e4rA:
17.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 GLN A1041
PHE A1043
TYR A1056
LEU A1135
LYS A1136
 5RS  A1203 (-2.9A)
5RS  A1203 (-4.3A)
SO4  A1201 ( 4.5A)
5RS  A1203 (-4.2A)
5RS  A1203 (-4.8A)
 0.33A 3sugA-5eqqA:
36.4		 3sugA-5eqqA:
94.00
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.
5ty7 PENICILLIN-BINDING
PROTEIN 4

(Staphylococcus
aureus) 		no annotation 4 PHE A 243
TYR A 239
LEU A 258
LYS A 259
 None
None
None
NFF  A 401 ( 4.8A)
 1.47A 3sugA-5ty7A:
undetectable		 3sugA-5ty7A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5woz REGULATOR OF TY1
TRANSPOSITION
PROTEIN 103

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A   3
TYR A  29
LEU A  11
LYS A   7
 None
 1.42A 3sugA-5wozA:
undetectable		 3sugA-5wozA:
14.65
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT D

(Saccharomyces
cerevisiae) 		no annotation 4 GLN B 258
PHE B 254
LEU B 241
LYS B 238
 None
 1.49A 3sugA-6c6lB:
undetectable		 3sugA-6c6lB:
16.93
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C

(Pyrococcus
furiosus) 		no annotation 4 GLN D  19
PHE D  20
TYR G   6
LEU D  28
 None
 1.33A 3sugA-6cfwD:
undetectable		 3sugA-6cfwD:
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.
6djw RBR-TYPE E3
UBIQUITIN
TRANSFERASE,RBR-TYPE
E3 UBIQUITIN
TRANSFERASE

(Bactrocera
dorsalis) 		no annotation 4 GLN A 351
TYR A 320
LEU A 341
LYS A 340
 None
 0.95A 3sugA-6djwA:
undetectable		 3sugA-6djwA:
18.44