SIMILAR PATTERNS OF AMINO ACIDS FOR 3AIC_A_ACRA5044

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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ARG A 177
ASP A 179
GLU A 204
HIS A 288
ASP A 289
 None
 0.60A 3aicA-1amyA:
9.5		 3aicA-1amyA:
18.57
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 373
ASP A 375
GLU A 435
HIS A 509
ASP A 510
 None
 0.60A 3aicA-1bf2A:
3.7		 3aicA-1bf2A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 ARG B 229
ASP B 231
ALA B 232
GLU B 261
HIS B 327
ASP B 328
 None
 0.64A 3aicA-1bplB:
8.5		 3aicA-1bplB:
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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 LEU A 190
ARG A 223
ASP A 225
ALA A 226
GLU A 253
HIS A 323
ASP A 324
 None
 1.09A 3aicA-1cygA:
7.7		 3aicA-1cygA:
22.75
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.84A 3aicA-1dedA:
7.8		 3aicA-1dedA:
23.55
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LEU A 196
ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
 None
 0.59A 3aicA-1e43A:
14.0		 3aicA-1e43A:
19.81
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 ARG A 309
ASP A 311
GLU A 340
HIS A 417
ASP A 418
 None
 0.74A 3aicA-1h3gA:
6.0		 3aicA-1h3gA:
21.53
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 ARG A 226
ASP A 228
GLU A 255
HIS A 442
ASP A 443
 None
 0.73A 3aicA-1iv8A:
5.5		 3aicA-1iv8A:
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 LEU A 150
ARG A 183
ASP A 185
ALA A 186
GLU A 222
HIS A 286
ASP A 287
 None
CL  A 501 (-4.0A)
None
None
None
None
None
 0.62A 3aicA-1jaeA:
8.3		 3aicA-1jaeA:
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 LEU A 162
ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
 None
CL  A 493 (-4.0A)
None
None
None
None
None
 0.58A 3aicA-1jxkA:
4.7		 3aicA-1jxkA:
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
ASN A 269
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
None
 1.38A 3aicA-1kclA:
7.9		 3aicA-1kclA:
23.26
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 LEU A 194
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
 None
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.78A 3aicA-1kclA:
7.9		 3aicA-1kclA:
23.26
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.68A 3aicA-1kxhA:
8.3		 3aicA-1kxhA:
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		6 ARG A 184
ASP A 186
ALA A 187
GLU A 216
HIS A 277
ASP A 278
 None
 0.87A 3aicA-1lwhA:
5.1		 3aicA-1lwhA:
19.39
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 ARG A 239
ASP A 241
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 None
 0.71A 3aicA-1m53A:
4.7		 3aicA-1m53A:
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
 ZN  A 441 ( 4.8A)
ZN  A 441 ( 4.2A)
ZN  A 441 (-2.0A)
None
ZN  A 441 (-4.0A)
 0.67A 3aicA-1mwoA:
10.8		 3aicA-1mwoA:
19.65
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 LEU A 162
ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.7A)
AC1  A 992 ( 3.3A)
AC1  A 992 (-3.5A)
AC1  A 992 ( 2.7A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 0.61A 3aicA-1oseA:
4.8		 3aicA-1oseA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.63A 3aicA-1qhoA:
3.9		 3aicA-1qhoA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
 None
 0.85A 3aicA-1smaA:
9.5		 3aicA-1smaA:
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		7 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.60A 3aicA-1ua7A:
5.0		 3aicA-1ua7A:
20.49
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LEU A 196
ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
 None
 0.59A 3aicA-1ud3A:
11.6		 3aicA-1ud3A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 ARG A 197
ASP A 199
GLU A 255
HIS A 328
ASP A 329
ASP A  60
 None
 0.76A 3aicA-1uokA:
2.1		 3aicA-1uokA:
21.03
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
 None
 0.68A 3aicA-1vjsA:
13.8		 3aicA-1vjsA:
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 AC1  A1492 ( 4.9A)
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
AC1  A1492 (-3.8A)
AC1  A1492 (-2.8A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.62A 3aicA-1w9xA:
11.6		 3aicA-1w9xA:
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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.66A 3aicA-2aaaA:
2.0		 3aicA-2aaaA:
23.19
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		6 ARG A 273
ASP A 275
ALA A 276
GLU A 308
HIS A 399
ASP A 400
 None
 0.72A 3aicA-2bxyA:
5.4		 3aicA-2bxyA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LEU A 201
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.63A 3aicA-2d3lA:
11.6		 3aicA-2d3lA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 LEU A 201
ARG A 234
ASP A 236
ALA A 237
HIS A 332
ASP A 333
 None
 0.60A 3aicA-2dieA:
11.7		 3aicA-2dieA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 404
ASP A 406
GLU A 435
ARG A 468
HIS A 524
 None
 0.79A 3aicA-2e8yA:
2.3		 3aicA-2e8yA:
23.16
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 404
ASP A 406
GLU A 435
HIS A 524
ASP A 525
 None
 0.73A 3aicA-2e8yA:
2.3		 3aicA-2e8yA:
23.16
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		6 ARG A 190
ASP A 192
ALA A 193
HIS A 289
ASP A 290
ASP A  50
 SUC  A2064 (-3.4A)
SUC  A2064 (-3.1A)
SUC  A2064 (-3.6A)
SUC  A2064 (-3.7A)
SUC  A2064 (-2.9A)
SUC  A2064 (-2.6A)
 0.65A 3aicA-2gduA:
7.0		 3aicA-2gduA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 ARG A 198
ASP A 200
GLU A 254
HIS A 326
ASP A 327
ASP A  61
 None
 0.72A 3aicA-2pwhA:
4.8		 3aicA-2pwhA:
21.50
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ARG A 178
ASP A 180
GLU A 205
HIS A 290
ASP A 291
 None
 0.67A 3aicA-2qpsA:
9.4		 3aicA-2qpsA:
20.38
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ARG A 361
ASP A 363
GLU A 399
ARG A 425
HIS A 470
 A16  A1722 ( 3.6A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
None
A16  A1722 (-4.0A)
 0.83A 3aicA-2vr5A:
undetectable		 3aicA-2vr5A:
22.82
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ARG A 361
ASP A 363
GLU A 399
HIS A 470
ASP A 471
 A16  A1722 ( 3.6A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
A16  A1722 (-4.0A)
A16  A1722 (-3.4A)
 0.79A 3aicA-2vr5A:
undetectable		 3aicA-2vr5A:
22.82
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 620
ASP A 622
GLU A 651
ARG A 684
HIS A 735
 None
 0.62A 3aicA-2wanA:
2.2		 3aicA-2wanA:
22.96
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 620
ASP A 622
GLU A 651
HIS A 735
ASP A 736
 None
 0.58A 3aicA-2wanA:
2.2		 3aicA-2wanA:
22.96
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 334
ASP A 336
GLU A 371
HIS A 442
ASP A 443
 None
 0.86A 3aicA-2wskA:
2.6		 3aicA-2wskA:
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		5 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.66A 3aicA-2ya1A:
8.2		 3aicA-2ya1A:
22.34
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 321
ASP A 323
GLU A 352
HIS A 439
ASP A 440
 NOJ  A1689 (-3.5A)
NOJ  A1689 (-2.8A)
NOJ  A1689 (-3.0A)
NOJ  A1689 (-3.8A)
NOJ  A1689 (-2.9A)
 0.65A 3aicA-2ya2A:
4.7		 3aicA-2ya2A:
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 ARG A 663
ASP A 665
GLU A 694
HIS A 821
ASP A 822
 None
 0.35A 3aicA-2yocA:
undetectable		 3aicA-2yocA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 ARG A 663
GLU A 694
ARG A 725
HIS A 821
ASP A 822
 None
None
SO4  A2076 (-3.2A)
None
None
 0.76A 3aicA-2yocA:
undetectable		 3aicA-2yocA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		6 ARG A 200
ASP A 202
ASN A 205
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 502 (-3.4A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 1.32A 3aicA-2z1kA:
6.3		 3aicA-2z1kA:
19.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		12 LEU A 433
ARG A 475
ASP A 477
ALA A 478
ASN A 481
GLU A 515
ASN A 537
ARG A 540
HIS A 587
ASP A 588
ASP A 909
GLN A 960
 None
 0.25A 3aicA-3aibA:
71.4		 3aicA-3aibA:
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		5 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
 GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 (-2.6A)
 0.76A 3aicA-3axiA:
4.7		 3aicA-3axiA:
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.11A 3aicA-3bc9A:
13.6		 3aicA-3bc9A:
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.63A 3aicA-3bc9A:
13.6		 3aicA-3bc9A:
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		6 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.28A 3aicA-3bmwA:
7.8		 3aicA-3bmwA:
23.79
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		7 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.64A 3aicA-3bmwA:
7.8		 3aicA-3bmwA:
23.79
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		5 ARG A 169
ASP A 171
GLU A 200
HIS A 276
ASP A 277
 None
 0.77A 3aicA-3dhuA:
7.3		 3aicA-3dhuA:
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 800
ASP A 802
GLU A 831
HIS A 918
ASP A 919
 None
 0.55A 3aicA-3fawA:
2.6		 3aicA-3fawA:
24.40
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
 None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
 0.74A 3aicA-3gbdA:
4.6		 3aicA-3gbdA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 ARG A 220
ASP A 222
GLU A 249
HIS A 440
ASP A 441
 None
GOL  A 802 (-2.8A)
GOL  A 804 (-3.8A)
None
GOL  A 802 ( 3.7A)
 0.73A 3aicA-3hjeA:
4.2		 3aicA-3hjeA:
21.26
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		6 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
 None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.62A 3aicA-3k8kA:
6.7		 3aicA-3k8kA:
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 ARG A 259
ASP A 261
ALA A 262
GLU A 296
ASN A 321
HIS A 392
 None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
MG  A 597 (-3.9A)
None
BTB  A 605 (-4.1A)
 1.00A 3aicA-3m07A:
4.2		 3aicA-3m07A:
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
 TRS  A 505 (-3.0A)
TRS  A 505 (-2.7A)
TRS  A 505 (-2.7A)
TRS  A 505 (-4.2A)
TRS  A 505 (-3.0A)
 0.66A 3aicA-3qgvA:
10.7		 3aicA-3qgvA:
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		7 ARG A 282
ASP A 284
ALA A 285
GLU A 326
HIS A 395
ASP A 396
ASP A 137
 GOL  A 721 (-3.4A)
GOL  A 720 (-3.0A)
None
TRS  A 700 (-4.2A)
GOL  A 721 (-4.6A)
TRS  A 700 (-3.1A)
GOL  A 720 (-2.6A)
 0.71A 3aicA-3ucqA:
2.2		 3aicA-3ucqA:
22.11
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.
3vgf MALTO-OLIGOSYLTREHAL
OSE TREHALOHYDROLASE

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF09071
(Alpha-amyl_C) 		5 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
 GLC  A 604 (-3.1A)
GLC  A 604 (-4.1A)
GLC  A 604 (-2.6A)
GLC  A 604 (-4.0A)
GLC  A 604 (-2.7A)
 0.72A 3aicA-3vgfA:
2.1		 3aicA-3vgfA:
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.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 LEU A 162
ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
 None
CL  A 507 (-3.9A)
None
None
None
None
None
 0.61A 3aicA-3vm5A:
5.1		 3aicA-3vm5A:
19.95
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.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		6 LEU A 185
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
 None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.73A 3aicA-3vm7A:
5.0		 3aicA-3vm7A:
20.95
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 801 (-3.1A)
MTT  A 802 (-3.9A)
 0.71A 3aicA-3wdjA:
2.3		 3aicA-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-3.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.0A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.62A 3aicA-3wdjA:
2.3		 3aicA-3wdjA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ARG A 201
ASP A 203
GLU A 228
HIS A 313
ASP A 314
 None
GOL  A 505 (-3.4A)
None
GOL  A 505 (-4.3A)
GOL  A 505 (-2.9A)
 0.63A 3aicA-3wn6A:
10.2		 3aicA-3wn6A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
 BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 (-2.7A)
 0.69A 3aicA-3wy2A:
5.0		 3aicA-3wy2A:
20.47
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ARG A 200
GLU A 271
HIS A 332
ASP A 333
GLN A 170
 BGC  A 605 (-3.0A)
BGC  A 605 (-3.3A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.2A)
 0.87A 3aicA-3wy2A:
5.0		 3aicA-3wy2A:
20.47
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		6 ARG A 440
ASP A 442
GLU A 471
ARG A 492
HIS A 535
ASP A 536
 None
 1.18A 3aicA-4aeeA:
6.3		 3aicA-4aeeA:
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.68A 3aicA-4aefA:
6.1		 3aicA-4aefA:
22.12
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 ARG A 196
ASP A 198
GLU A 240
HIS A 315
ASP A 316
ASP A  59
 GOL  A1542 ( 4.4A)
GOL  A1542 (-2.7A)
GOL  A1542 ( 3.6A)
None
GOL  A1548 (-3.5A)
GOL  A1542 (-2.1A)
 0.68A 3aicA-4aieA:
3.3		 3aicA-4aieA:
20.25
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		5 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
 None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
 0.35A 3aicA-4aioA:
undetectable		 3aicA-4aioA:
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		5 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
 None
GOL  A1888 ( 4.9A)
None
None
None
 0.83A 3aicA-4aioA:
undetectable		 3aicA-4aioA:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		10 LEU A 980
ARG A1022
ASP A1024
ALA A1025
ASN A1028
GLU A1061
HIS A1132
ASP A1133
ASP A1463
GLN A1514
 None
 0.49A 3aicA-4amcA:
61.9		 3aicA-4amcA:
44.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		11 LEU A 981
ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-4.6A)
GOL  A2791 (-3.4A)
ACY  A2820 (-2.8A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-2.8A)
GOL  A2773 (-3.0A)
 0.60A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		6 LEU A 982
ARG A1023
ASP A1025
HIS A1135
ASP A1136
GLN A1509
 None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
None
GOL  A2791 (-4.3A)
GOL  A2773 (-3.0A)
 1.44A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		5 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.68A 3aicA-4e2oA:
5.3		 3aicA-4e2oA:
19.16
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-2.7A)
 0.76A 3aicA-4hozA:
4.5		 3aicA-4hozA:
20.70
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ARG A 239
GLU A 295
HIS A 368
ASP A 369
GLN A 209
 GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-3.8A)
 0.92A 3aicA-4hozA:
4.5		 3aicA-4hozA:
20.70
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		6 LEU A 194
ARG A 227
ASP A 229
ALA A 230
ASN A 270
HIS A 328
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
 1.13A 3aicA-4jclA:
8.1		 3aicA-4jclA:
24.72
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		6 LEU A 194
ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
 None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
 0.81A 3aicA-4jclA:
8.1		 3aicA-4jclA:
24.72
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		6 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.80A 3aicA-4jcmA:
7.4		 3aicA-4jcmA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ARG A 403
ASP A 405
ALA A 406
HIS A 525
ASP A 526
 None
 0.86A 3aicA-4lq1A:
2.5		 3aicA-4lq1A:
21.03
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 ARG A 197
ASP A 199
ALA A 200
GLU A 255
HIS A 331
ASP A 332
ASP A  59
 TRS  A 601 ( 4.8A)
TRS  A 601 (-2.7A)
TRS  A 601 ( 4.0A)
TRS  A 601 ( 2.7A)
None
GOL  A 602 (-2.8A)
TRS  A 601 (-2.8A)
 0.68A 3aicA-4m8uA:
5.0		 3aicA-4m8uA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 ARG A 197
ASP A 199
GLU A 255
HIS A 331
ASP A 332
GLN A 167
 TRS  A 601 ( 4.8A)
TRS  A 601 (-2.7A)
TRS  A 601 ( 2.7A)
None
GOL  A 602 (-2.8A)
TRS  A 601 ( 4.3A)
 0.85A 3aicA-4m8uA:
5.0		 3aicA-4m8uA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.73A 3aicA-4okdA:
5.5		 3aicA-4okdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		8 LEU A2166
ALA A2211
GLU A2248
ARG A2269
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.75A 3aicA-4tvcA:
48.8		 3aicA-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		9 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.34A 3aicA-4tvcA:
48.8		 3aicA-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		6 LEU A2167
ARG A2208
ASP A2210
HIS A2321
ASP A2322
GLN A2694
 None
None
GOL  A3008 (-2.7A)
None
None
GOL  A3008 (-3.2A)
 1.32A 3aicA-4tvcA:
48.8		 3aicA-4tvcA:
38.87
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.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LEU A 197
ARG A 230
ASP A 232
ALA A 233
GLU A 262
HIS A 328
ASP A 329
 None
NA  A1490 ( 4.1A)
NA  A1490 (-2.9A)
NA  A1490 ( 4.2A)
NA  A1490 (-2.7A)
None
NA  A1490 ( 4.5A)
 0.59A 3aicA-4uzuA:
11.6		 3aicA-4uzuA:
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ARG A 192
ASP A 194
HIS A 312
ASP A 313
ASP A  60
 None
 0.74A 3aicA-4xb3A:
3.0		 3aicA-4xb3A:
21.18
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		6 LEU A 177
ARG A 211
ASP A 213
GLU A 242
HIS A 309
ASP A 310
 None
ACT  A1479 ( 4.9A)
ACT  A1479 (-2.6A)
ACT  A1479 ( 4.5A)
None
ACT  A1479 ( 4.9A)
 0.64A 3aicA-5a2aA:
9.7		 3aicA-5a2aA:
20.53
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.
5csu 4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Arabidopsis
thaliana) 		PF02446
(Glyco_hydro_77) 		5 ARG A 371
ASP A 373
GLU A 420
HIS A 472
ASP A 473
 HMC  A 606 ( 3.7A)
HMC  A 606 ( 3.0A)
AGL  A 607 ( 2.7A)
HMC  A 606 ( 3.8A)
HMC  A 606 ( 2.8A)
 0.89A 3aicA-5csuA:
5.5		 3aicA-5csuA:
21.04
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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 6 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
 BGC  B 601 (-3.4A)
BGC  B 601 (-3.7A)
BGC  B 601 ( 2.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
BGC  B 601 (-2.8A)
 1.16A 3aicA-5do8B:
3.2		 3aicA-5do8B:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		9 LEU A 971
ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
GLN A1484
 None
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
None
 0.73A 3aicA-5jbeA:
52.9		 3aicA-5jbeA:
40.59
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		6 ARG B 211
ASP B 213
ALA B 214
GLU B 253
HIS B 304
ASP B 305
 K  B 605 ( 4.8A)
EDO  B 616 ( 2.8A)
EDO  B 616 ( 4.7A)
K  B 605 ( 4.7A)
None
K  B 605 ( 4.7A)
 0.64A 3aicA-5m99B:
3.3		 3aicA-5m99B:
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 7 ARG A 284
ASP A 286
ALA A 287
GLU A 328
HIS A 392
ASP A 393
ASP A 144
 TRS  A 701 ( 4.6A)
TRS  A 701 (-2.8A)
TRS  A 701 ( 4.0A)
TRS  A 701 (-2.8A)
None
TRS  A 701 ( 4.6A)
TRS  A 701 (-2.8A)
 0.70A 3aicA-5n6vA:
6.2		 3aicA-5n6vA:
6.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 9 LEU A 629
ARG A 675
ASP A 677
ALA A 678
ASN A 681
HIS A 789
ASP A 790
ASP A1118
GLN A1183
 None
 0.44A 3aicA-5ngyA:
57.1		 3aicA-5ngyA:
39.64
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 6 ARG A 501
ASP A 503
ASN A 506
GLU A 534
HIS A 600
ASP A 601
 None
 1.43A 3aicA-5ot1A:
8.3		 3aicA-5ot1A:
7.12
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 5 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.63A 3aicA-5ww1A:
undetectable		 3aicA-5ww1A:
6.16
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 7 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
 TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.0A)
 0.65A 3aicA-5x7uA:
5.5		 3aicA-5x7uA:
7.40
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 ARG A 200
GLU A 244
HIS A 309
ASP A 310
GLN A 170
 TRS  A 600 ( 4.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 ( 4.5A)
 0.90A 3aicA-5x7uA:
5.5		 3aicA-5x7uA:
7.40
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 6 ARG A 354
ASP A 356
ALA A 357
GLU A 396
HIS A 471
ASP A 472
 None
 0.67A 3aicA-5z0uA:
6.2		 3aicA-5z0uA:
6.78
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.
1cg8 PROTEIN (HEMOGLOBIN)

(Dasyatis akajei) 		PF00042
(Globin) 		3 LEU B   3
TRP B  15
TYR B  10
 None
 0.92A 3aicA-1cg8B:
undetectable		 3aicA-1cg8B:
10.07
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.
1dj0 PSEUDOURIDINE
SYNTHASE I

(Escherichia
coli) 		PF01416
(PseudoU_synth_1) 		3 LEU A  91
TRP A  99
TYR A  18
 None
 0.95A 3aicA-1dj0A:
undetectable		 3aicA-1dj0A:
15.02
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		3 LEU A  93
TRP A 113
TYR A 121
 None
 0.84A 3aicA-1dr6A:
undetectable		 3aicA-1dr6A:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		3 LEU A 158
TRP A 143
TYR A 151
 None
 1.00A 3aicA-1fobA:
3.9		 3aicA-1fobA:
17.45
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.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		3 LEU A 273
TRP A 265
TYR A  39
 None
 1.00A 3aicA-1jjfA:
undetectable		 3aicA-1jjfA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kkr 3-METHYLASPARTATE
AMMONIA-LYASE

(Citrobacter
amalonaticus) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		3 LEU A 245
TRP A 309
TYR A 240
 None
 1.02A 3aicA-1kkrA:
3.3		 3aicA-1kkrA:
18.55
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LEU A 254
TRP A  57
TYR A 298
 None
 0.83A 3aicA-1q1nA:
2.6		 3aicA-1q1nA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r5a GLUTATHIONE
TRANSFERASE

(Anopheles
cracens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		3 LEU A 143
TRP A 138
TYR A 178
 None
 0.80A 3aicA-1r5aA:
undetectable		 3aicA-1r5aA:
14.27
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 LEU A 745
TRP A 498
TYR A 753
 None
 0.88A 3aicA-1rrhA:
undetectable		 3aicA-1rrhA:
21.83
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.
1sou 5,10-METHENYLTETRAHY
DROFOLATE SYNTHETASE

(Aquifex
aeolicus) 		PF01812
(5-FTHF_cyc-lig) 		3 LEU A 129
TRP A 165
TYR A 127
 None
 0.96A 3aicA-1souA:
undetectable		 3aicA-1souA:
11.70
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.
1tyj CELLULOSOMAL
SCAFFOLDIN

(Pseudobacteroides
cellulosolvens) 		PF00963
(Cohesin) 		3 LEU A 129
TRP A  48
TYR A  40
 None
 0.92A 3aicA-1tyjA:
undetectable		 3aicA-1tyjA:
11.95
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		3 LEU A  93
TRP A 113
TYR A 121
 None
 0.88A 3aicA-1u70A:
undetectable		 3aicA-1u70A:
12.91
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		3 LEU A  93
TRP A 113
TYR A 121
 None
 0.83A 3aicA-1u71A:
undetectable		 3aicA-1u71A:
12.49
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.
1uv4 ARABINAN-ENDO
1,5-ALPHA-L-ARABINAS
E

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		3 LEU A  27
TRP A  86
TYR A  89
 None
 0.99A 3aicA-1uv4A:
undetectable		 3aicA-1uv4A:
16.43
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.
1yk3 HYPOTHETICAL PROTEIN
RV1347C/MT1389

(Mycobacterium
tuberculosis) 		PF13523
(Acetyltransf_8) 		3 LEU A 203
TRP A 182
TYR A 201
 None
 0.99A 3aicA-1yk3A:
undetectable		 3aicA-1yk3A:
12.64
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		3 LEU A 135
TRP A  60
TYR A 119
 None
 0.83A 3aicA-2abjA:
undetectable		 3aicA-2abjA:
19.60
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.
2cx7 STEROL CARRIER
PROTEIN 2

(Thermus
thermophilus) 		PF02036
(SCP2) 		3 LEU A 122
TRP A  56
TYR A 115
 None
 0.75A 3aicA-2cx7A:
undetectable		 3aicA-2cx7A:
9.11
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		3 LEU A 192
TRP A 449
TYR A 196
 None
 0.90A 3aicA-2h1nA:
undetectable		 3aicA-2h1nA:
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		3 LEU A 299
TRP A 311
TYR A 167
 None
 0.93A 3aicA-2h39A:
undetectable		 3aicA-2h39A:
17.10
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		3 LEU A 133
TRP A 176
TYR A 489
 None
 0.98A 3aicA-2j6lA:
undetectable		 3aicA-2j6lA:
20.17
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		3 LEU A 131
TRP A 174
TYR A 487
 None
 0.91A 3aicA-2jg7A:
undetectable		 3aicA-2jg7A:
20.12
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.
2mqs MATRIX
METALLOPROTEINASE-14

(Homo sapiens) 		PF00045
(Hemopexin) 		3 LEU A 329
TRP A 388
TYR A 372
 None
 0.98A 3aicA-2mqsA:
undetectable		 3aicA-2mqsA:
13.19
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.
2oj4 REGULATOR OF
G-PROTEIN SIGNALING
3

(Homo sapiens) 		PF00615
(RGS) 		3 LEU A  78
TRP A  41
TYR A  67
 None
 1.01A 3aicA-2oj4A:
undetectable		 3aicA-2oj4A:
10.20
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.
2pie E3 UBIQUITIN-PROTEIN
LIGASE RNF8

(Homo sapiens) 		PF00498
(FHA) 		3 LEU A  50
TRP A  29
TYR A  48
 None
 0.99A 3aicA-2pieA:
undetectable		 3aicA-2pieA:
9.34
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.
2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 LEU A 117
TRP A 208
TYR A 121
 None
 0.99A 3aicA-2pxjA:
undetectable		 3aicA-2pxjA:
18.15
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.
2q3z TRANSGLUTAMINASE 2

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		3 LEU A 532
TRP A 404
TYR A 503
 None
 0.80A 3aicA-2q3zA:
undetectable		 3aicA-2q3zA:
22.82
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.
2rfm PUTATIVE ANKYRIN
REPEAT PROTEIN
TV1425

(Thermoplasma
volcanium) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		3 LEU A  51
TRP A  71
TYR A  27
 None
 0.91A 3aicA-2rfmA:
undetectable		 3aicA-2rfmA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		3 LEU A 105
TRP A  94
TYR A 234
 None
 1.01A 3aicA-2v35A:
undetectable		 3aicA-2v35A:
15.35
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		3 LEU A 484
TRP A 470
TYR A 488
 None
 1.01A 3aicA-2vmfA:
0.9		 3aicA-2vmfA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		3 LEU A 215
TRP A  55
TYR A 182
 None
 0.99A 3aicA-2yjqA:
7.6		 3aicA-2yjqA:
22.66
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.
2ylk CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		3 LEU A  34
TRP A 139
TYR A  32
 None
 0.65A 3aicA-2ylkA:
undetectable		 3aicA-2ylkA:
10.60
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.
2ztg ALANYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		3 LEU A  13
TRP A 162
TYR A   7
 None
 0.94A 3aicA-2ztgA:
undetectable		 3aicA-2ztgA:
21.60
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		3 LEU A 283
TRP A 245
TYR A 278
 None
 0.98A 3aicA-2zzrA:
undetectable		 3aicA-2zzrA:
18.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		3 LEU A 434
TRP A 517
TYR A 916
 None
 0.11A 3aicA-3aibA:
71.4		 3aicA-3aibA:
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		3 LEU A 325
TRP A 409
TYR A 343
 None
 0.98A 3aicA-3ayfA:
undetectable		 3aicA-3ayfA:
21.60
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.
3cs1 FLAGELLAR
CALCIUM-BINDING
PROTEIN

(Trypanosoma
cruzi) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		3 LEU A 101
TRP A 192
TYR A 125
 None
 1.01A 3aicA-3cs1A:
undetectable		 3aicA-3cs1A:
14.10
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		3 LEU A 141
TRP A 131
TYR A 147
 None
 0.95A 3aicA-3d3aA:
3.1		 3aicA-3d3aA:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		3 LEU A  23
TRP A   5
TYR A  29
 None
 0.93A 3aicA-3dfrA:
undetectable		 3aicA-3dfrA:
12.76
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.
3ehq OSTEOCLAST-STIMULATI
NG FACTOR 1

(Homo sapiens) 		PF00018
(SH3_1)
PF12796
(Ank_2) 		3 LEU A 159
TRP A 112
TYR A 152
 None
 0.98A 3aicA-3ehqA:
undetectable		 3aicA-3ehqA:
14.25
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.
3fyb PROTEIN OF UNKNOWN
FUNCTION (DUF1244)

(Alcanivorax
borkumensis) 		PF06844
(DUF1244) 		3 LEU A  61
TRP A  49
TYR A  63
 None
 0.76A 3aicA-3fybA:
undetectable		 3aicA-3fybA:
8.59
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 LEU A 135
TRP A 115
TYR A 133
 None
 1.02A 3aicA-3gm8A:
5.1		 3aicA-3gm8A:
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 LEU B  30
TRP B 665
TYR B 800
 None
 0.95A 3aicA-3h0gB:
undetectable		 3aicA-3h0gB:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j6d PROTEIN PRGH

(Salmonella
enterica) 		PF09480
(PrgH) 		3 LEU A 275
TRP A 235
TYR A 245
 None
 0.95A 3aicA-3j6dA:
undetectable		 3aicA-3j6dA:
18.87
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 3 LEU B 422
TRP B 436
TYR B 418
 None
 0.91A 3aicA-3jruB:
undetectable		 3aicA-3jruB:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m5k PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE

(Parabacteroides
distasonis) 		PF00881
(Nitroreductase) 		3 LEU A  90
TRP A 140
TYR A 146
 None
FMN  A 301 (-3.8A)
None
 1.02A 3aicA-3m5kA:
undetectable		 3aicA-3m5kA:
13.36
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.
3m8l CAPSID PROTEIN

(Feline
calicivirus) 		PF00915
(Calici_coat) 		3 LEU A 527
TRP A 383
TYR A 467
 None
 0.92A 3aicA-3m8lA:
undetectable		 3aicA-3m8lA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3onm TRANSCRIPTIONAL
REGULATOR LRHA

(Yersinia
pseudotuberculosis) 		PF03466
(LysR_substrate) 		3 LEU A 247
TRP A 173
TYR A 179
 None
 0.95A 3aicA-3onmA:
undetectable		 3aicA-3onmA:
14.61
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.
3pv6 IG-LIKE
DOMAIN-CONTAINING
PROTEIN
DKFZP686O24166/DKFZP
686I21167

(Homo sapiens) 		PF07654
(C1-set) 		3 LEU A  40
TRP A  67
TYR A 169
 None
 1.01A 3aicA-3pv6A:
undetectable		 3aicA-3pv6A:
14.29
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.
3qt2 INTERLEUKIN-5
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens) 		PF09240
(IL6Ra-bind) 		3 LEU A 151
TRP A 177
TYR A 153
 None
BGC  A 318 (-3.9A)
None
 1.01A 3aicA-3qt2A:
undetectable		 3aicA-3qt2A:
16.39
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.
3r97 MALONYL COA-ACP
TRANSACYLASE

(Xanthomonas
oryzae) 		PF00698
(Acyl_transf_1) 		3 LEU A  21
TRP A  76
TYR A 305
 None
 0.76A 3aicA-3r97A:
undetectable		 3aicA-3r97A:
18.66
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 LEU A 450
TRP A 508
TYR A 502
 None
 1.00A 3aicA-3s9vA:
undetectable		 3aicA-3s9vA:
21.67
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 LEU B 516
TRP B 591
TYR B 533
 None
 0.93A 3aicA-3v0aB:
undetectable		 3aicA-3v0aB:
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		3 LEU A 516
TRP A 591
TYR A 533
 None
 0.99A 3aicA-3vuoA:
undetectable		 3aicA-3vuoA:
22.52
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.
3zpy ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		3 LEU A 376
TRP A 299
TYR A 374
 None
 1.00A 3aicA-3zpyA:
undetectable		 3aicA-3zpyA:
15.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 LEU A 981
TRP A1063
TYR A1470
 None
 0.27A 3aicA-4amcA:
61.9		 3aicA-4amcA:
44.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 LEU A 818
TRP A 852
TYR A 824
 None
 1.00A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		3 LEU A 982
TRP A1065
TYR A1465
 None
None
GOL  A2773 ( 4.1A)
 0.33A 3aicA-4aygA:
55.0		 3aicA-4aygA:
43.17
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		3 LEU A 447
TRP A 481
TYR A 451
 None
 0.97A 3aicA-4c90A:
5.9		 3aicA-4c90A:
22.23
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.
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Mus musculus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		3 LEU A  74
TRP A 318
TYR A 326
 None
None
BF0  A 601 (-3.8A)
 0.78A 3aicA-4dklA:
undetectable		 3aicA-4dklA:
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.
4egt MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		3 LEU A 528
TRP A 278
TYR A 533
 None
 0.92A 3aicA-4egtA:
undetectable		 3aicA-4egtA:
19.33
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.
4exn INTERLEUKIN-34

(Mus musculus) 		PF15036
(IL34) 		3 LEU A 165
TRP A 116
TYR A  53
 None
 0.88A 3aicA-4exnA:
undetectable		 3aicA-4exnA:
12.23
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.
4i6v AMIDOHYDROLASE 2

(Planctopirus
limnophila) 		PF02614
(UxaC) 		3 LEU A 419
TRP A 382
TYR A 371
 None
 0.78A 3aicA-4i6vA:
undetectable		 3aicA-4i6vA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		3 LEU A 679
TRP A 706
TYR A 723
 None
 0.95A 3aicA-4iglA:
undetectable		 3aicA-4iglA:
20.16
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.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		3 LEU A  73
TRP A  54
TYR A 292
 None
 0.98A 3aicA-4igmA:
undetectable		 3aicA-4igmA:
16.84
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.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		3 LEU A  13
TRP A  37
TYR A  58
 None
 0.97A 3aicA-4inzA:
undetectable		 3aicA-4inzA:
16.71
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.
4j7m PROTEIN DOM3Z

(Mus musculus) 		PF08652
(RAI1) 		3 LEU A  54
TRP A 109
TYR A 216
 None
 1.01A 3aicA-4j7mA:
undetectable		 3aicA-4j7mA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k2u ANTIBODY HEAVY CHAIN
ANTIBODY LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 LEU L  46
TRP L  96
TYR H  96
 None
SO4  H 303 (-3.7A)
None
 0.91A 3aicA-4k2uL:
undetectable		 3aicA-4k2uL:
14.27
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 LEU A  29
TRP A 441
TYR A  71
 None
 0.94A 3aicA-4m8uA:
5.0		 3aicA-4m8uA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		3 LEU A  56
TRP A 544
TYR A  30
 None
BMA  A 604 ( 4.0A)
None
 0.89A 3aicA-4pfwA:
undetectable		 3aicA-4pfwA:
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.
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A 857
TRP A 829
TYR A 761
 None
 1.00A 3aicA-4qpmA:
undetectable		 3aicA-4qpmA:
16.98
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.
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A1036
TRP A 982
TYR A 988
 None
 0.98A 3aicA-4qpmA:
undetectable		 3aicA-4qpmA:
16.98
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.
4rws C-X-C CHEMOKINE
RECEPTOR TYPE
4/ENDOLYSIN CHIMERIC
PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF12109
(CXCR4_N) 		3 LEU A  80
TRP A 125
TYR A  76
 None
 0.98A 3aicA-4rwsA:
undetectable		 3aicA-4rwsA:
19.56
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.
4s3n 2'-5'-OLIGOADENYLATE
SYNTHASE 3

(Homo sapiens) 		PF10421
(OAS1_C) 		3 LEU A 284
TRP A 303
TYR A 167
 None
 0.97A 3aicA-4s3nA:
undetectable		 3aicA-4s3nA:
16.77
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.
4wj3 ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		3 LEU B 320
TRP B 346
TYR B 329
 None
 0.91A 3aicA-4wj3B:
undetectable		 3aicA-4wj3B:
18.31
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.
4wx6 PROTEASE

(Human
mastadenovirus
D) 		PF00770
(Peptidase_C5) 		3 LEU A 178
TRP A  55
TYR A 184
 None
3VK  A 301 (-3.7A)
None
 0.93A 3aicA-4wx6A:
undetectable		 3aicA-4wx6A:
13.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x1z VP1

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		3 LEU A 528
TRP A 278
TYR A 533
 None
 0.92A 3aicA-4x1zA:
undetectable		 3aicA-4x1zA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		3 LEU A 119
TRP A 210
TYR A 123
 None
 0.95A 3aicA-4xdoA:
undetectable		 3aicA-4xdoA:
17.10
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.
4y21 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		3 LEU A  85
TRP A 169
TYR A  89
 None
 0.89A 3aicA-4y21A:
undetectable		 3aicA-4y21A:
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.
4yrd CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP5F

(Staphylococcus
aureus) 		PF01370
(Epimerase) 		3 LEU A 133
TRP A 137
TYR A 172
 None
 0.87A 3aicA-4yrdA:
undetectable		 3aicA-4yrdA:
19.45
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		3 LEU A 180
TRP A 244
TYR A 100
 None
None
ACT  A1479 (-3.9A)
 0.86A 3aicA-5a2aA:
9.8		 3aicA-5a2aA:
20.53
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 3 LEU C  16
TRP C  42
TYR C  64
 None
 0.93A 3aicA-5cw2C:
undetectable		 3aicA-5cw2C:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5euf PROTEASE

(Helicobacter
pylori) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 LEU A  80
TRP A 187
TYR A 211
 None
 0.97A 3aicA-5eufA:
undetectable		 3aicA-5eufA:
19.03
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.
5fbb NUCLEASE S1

(Aspergillus
oryzae) 		PF02265
(S1-P1_nuclease) 		3 LEU A 244
TRP A 171
TYR A 246
 NAG  A 502 (-4.0A)
None
None
 1.00A 3aicA-5fbbA:
undetectable		 3aicA-5fbbA:
16.39
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		3 LEU A 346
TRP A 566
TYR A 592
 None
 0.87A 3aicA-5firA:
undetectable		 3aicA-5firA:
23.07
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.
5ixg YCEI

(Burkholderia
cenocepacia) 		no annotation 3 LEU B 151
TRP B  31
TYR B 153
 PEG  B 202 (-4.6A)
OTP  B 201 ( 4.6A)
OTP  B 201 ( 4.0A)
 0.91A 3aicA-5ixgB:
undetectable		 3aicA-5ixgB:
12.76
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		3 LEU A  60
TRP A  74
TYR A  62
 None
 0.96A 3aicA-5j5uA:
undetectable		 3aicA-5j5uA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 3 LEU A3457
TRP A3315
TYR A3302
 None
 0.94A 3aicA-5m6pA:
undetectable		 3aicA-5m6pA:
6.71
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 3 LEU A 686
TRP A 720
TYR A 688
 None
 0.96A 3aicA-5mhfA:
undetectable		 3aicA-5mhfA:
6.52
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum) 		no annotation 3 LEU A 122
TRP A 362
TYR A 115
 None
 0.98A 3aicA-5mrjA:
3.9		 3aicA-5mrjA:
6.32
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.
5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A 212
TRP A 547
TYR A 214
 None
 0.97A 3aicA-5myvA:
undetectable		 3aicA-5myvA:
17.40
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.
5mz9 -

(-) 		no annotation 3 LEU A 207
TRP A 220
TYR A 510
 None
 0.76A 3aicA-5mz9A:
undetectable		 3aicA-5mz9A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 3 LEU A 630
TRP A 717
TYR A1127
 None
 0.29A 3aicA-5ngyA:
57.1		 3aicA-5ngyA:
39.64
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.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		3 LEU A 433
TRP A 221
TYR A 273
 None
 1.00A 3aicA-5thmA:
undetectable		 3aicA-5thmA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue8 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF00130
(C1_1)
PF00168
(C2)
PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		3 LEU A1017
TRP A1101
TYR A1021
 None
 0.88A 3aicA-5ue8A:
undetectable		 3aicA-5ue8A:
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		3 LEU A 337
TRP A 289
TYR A 321
 None
 0.92A 3aicA-5vj1A:
undetectable		 3aicA-5vj1A:
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.
5xju SMALL NUCLEAR
RIBONUCLEOPROTEIN E

(Homo sapiens) 		no annotation 3 LEU E  56
TRP E  34
TYR E  24
 None
 0.89A 3aicA-5xjuE:
undetectable		 3aicA-5xjuE:
7.20
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 3 LEU A 199
TRP A 163
TYR A 207
 None
 0.84A 3aicA-6c93A:
undetectable		 3aicA-6c93A:
7.59
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 LEU A 141
TRP A 131
TYR A 147
 None
 0.93A 3aicA-6eonA:
2.6		 3aicA-6eonA:
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 3 LEU B  39
TRP B 653
TYR B 766
 None
 0.98A 3aicA-6exvB:
undetectable		 3aicA-6exvB:
6.91
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 3 LEU A 627
TRP A 704
TYR A 623
 None
 0.97A 3aicA-6fwfA:
undetectable		 3aicA-6fwfA:
6.68