SIMILAR PATTERNS OF AMINO ACIDS FOR 3AIC_C_ACRC5044

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)
6 ARG A 177
ASP A 179
GLU A 204
HIS A 288
ASP A 289
TYR A  51
None
0.61A 3aicC-1amyA:
9.6
3aicC-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)
6 ARG A 373
ASP A 375
GLU A 435
HIS A 509
ASP A 510
TYR A 250
None
0.62A 3aicC-1bf2A:
3.2
3aicC-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)
7 ARG B 229
ASP B 231
ALA B 232
GLU B 261
HIS B 327
ASP B 328
TYR A  56
None
0.60A 3aicC-1bplB:
17.3
3aicC-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)
6 ARG A 223
ASP A 225
ALA A 226
GLU A 253
ASP A 324
TYR A  96
None
0.91A 3aicC-1cygA:
3.5
3aicC-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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE


(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
6 ARG A 223
ASP A 225
ALA A 226
HIS A 323
ASP A 324
TYR A  96
None
0.91A 3aicC-1cygA:
3.5
3aicC-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)
6 ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
ASP A 328
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
0.76A 3aicC-1dedA:
3.9
3aicC-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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE


(Bacillus sp.
1011)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
6 ARG A 227
ASP A 229
ALA A 230
ASN A 233
HIS A 327
TYR A 100
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 3.0A)
QPS  A1001 ( 3.4A)
QPS  A1001 (-3.6A)
QPS  A1001 (-2.9A)
0.72A 3aicC-1dedA:
3.9
3aicC-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 ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
TYR A  54
None
0.57A 3aicC-1e43A:
14.2
3aicC-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)
6 ARG A 309
ASP A 311
GLU A 340
HIS A 417
ASP A 418
TYR A 183
None
0.72A 3aicC-1h3gA:
7.4
3aicC-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)
6 ARG A 226
ASP A 228
GLU A 255
HIS A 442
ASP A 443
TYR A  50
None
0.73A 3aicC-1iv8A:
6.9
3aicC-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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C)
6 ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
TYR A 207
None
0.70A 3aicC-1j0hA:
9.6
3aicC-1j0hA:
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
7 ARG A 183
ASP A 185
ALA A 186
GLU A 222
HIS A 286
ASP A 287
TYR A  60
CL  A 501 (-4.0A)
None
None
None
None
None
None
0.62A 3aicC-1jaeA:
8.9
3aicC-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 ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
TYR A  62
CL  A 493 (-4.0A)
None
None
None
None
None
None
0.59A 3aicC-1jxkA:
11.2
3aicC-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)
7 ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
TYR A 100
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
GLC  A1695 ( 3.1A)
0.79A 3aicC-1kclA:
6.3
3aicC-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 ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
TYR A  50
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
ACR  A 598 (-4.5A)
0.73A 3aicC-1kxhA:
8.5
3aicC-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)
7 ARG A 184
ASP A 186
ALA A 187
GLU A 216
HIS A 277
ASP A 278
TYR A  54
None
0.89A 3aicC-1lwhA:
5.6
3aicC-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)
7 ARG A 239
ASP A 241
GLU A 295
HIS A 368
ASP A 369
ASP A 102
TYR A 105
None
0.70A 3aicC-1m53A:
7.4
3aicC-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.
1m53 ISOMALTULOSE
SYNTHASE


(Klebsiella sp.
LX3)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
6 ARG A 239
GLU A 295
HIS A 368
ASP A 369
TYR A 105
GLN A 209
None
1.03A 3aicC-1m53A:
7.4
3aicC-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)
6 ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
TYR A  62
ZN  A 441 ( 4.8A)
ZN  A 441 ( 4.2A)
ZN  A 441 (-2.0A)
None
ZN  A 441 (-4.0A)
None
0.63A 3aicC-1mwoA:
10.9
3aicC-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 ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
TYR A  62
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)
AC1  A 992 ( 3.6A)
0.69A 3aicC-1oseA:
4.3
3aicC-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)
7 ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
TYR A  92
ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
0.61A 3aicC-1qhoA:
9.9
3aicC-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)
6 ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
TYR A 207
None
0.92A 3aicC-1smaA:
9.7
3aicC-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 ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
TYR A  62
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)
ACI  A 504 ( 3.7A)
0.63A 3aicC-1ua7A:
9.6
3aicC-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 ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
TYR A  56
None
0.61A 3aicC-1ud3A:
11.7
3aicC-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)
7 ARG A 197
ASP A 199
GLU A 255
HIS A 328
ASP A 329
ASP A  60
TYR A  63
None
0.74A 3aicC-1uokA:
7.6
3aicC-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)
7 ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
TYR A  56
None
0.66A 3aicC-1vjsA:
13.9
3aicC-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 ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
TYR A  58
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
AC1  A1492 (-3.8A)
AC1  A1492 (-2.8A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
AC1  A1492 ( 3.9A)
0.60A 3aicC-1w9xA:
11.7
3aicC-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)
6 ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
TYR A  82
CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
None
0.69A 3aicC-2aaaA:
3.6
3aicC-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)
7 ARG A 273
ASP A 275
ALA A 276
GLU A 308
HIS A 399
ASP A 400
TYR A 177
None
0.68A 3aicC-2bxyA:
5.2
3aicC-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 ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
TYR A  58
None
None
None
None
None
GLC  A 605 (-3.5A)
GLC  A 605 (-4.8A)
0.63A 3aicC-2d3lA:
11.7
3aicC-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)
7 ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
TYR A  58
None
0.85A 3aicC-2dieA:
11.7
3aicC-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)
6 ARG A 404
ASP A 406
GLU A 435
HIS A 524
ASP A 525
TYR A 292
None
0.74A 3aicC-2e8yA:
6.9
3aicC-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)
0.66A 3aicC-2gduA:
4.9
3aicC-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)
7 ARG A 198
ASP A 200
GLU A 254
HIS A 326
ASP A 327
ASP A  61
TYR A  64
None
0.70A 3aicC-2pwhA:
5.3
3aicC-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)
6 ARG A 178
ASP A 180
GLU A 205
HIS A 290
ASP A 291
TYR A  52
None
0.66A 3aicC-2qpsA:
9.5
3aicC-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)
6 ARG A 361
ASP A 363
GLU A 399
ARG A 425
HIS A 470
TYR A 244
A16  A1722 ( 3.6A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
None
A16  A1722 (-4.0A)
A16  A1722 (-3.6A)
0.87A 3aicC-2vr5A:
7.4
3aicC-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)
6 ARG A 361
ASP A 363
GLU A 399
HIS A 470
ASP A 471
TYR A 244
A16  A1722 ( 3.6A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
A16  A1722 (-4.0A)
A16  A1722 (-3.4A)
A16  A1722 (-3.6A)
0.74A 3aicC-2vr5A:
7.4
3aicC-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)
6 ARG A 620
ASP A 622
GLU A 651
ARG A 684
HIS A 735
TYR A 509
None
0.61A 3aicC-2wanA:
6.1
3aicC-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)
6 ARG A 620
ASP A 622
GLU A 651
HIS A 735
ASP A 736
TYR A 509
None
0.58A 3aicC-2wanA:
6.1
3aicC-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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE


(Streptococcus
pneumoniae)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD)
6 ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
TYR A 667
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
BGC  A2144 (-4.5A)
0.62A 3aicC-2ya1A:
6.1
3aicC-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)
6 ARG A 321
ASP A 323
GLU A 352
HIS A 439
ASP A 440
TYR A 212
NOJ  A1689 (-3.5A)
NOJ  A1689 (-2.8A)
NOJ  A1689 (-3.0A)
NOJ  A1689 (-3.8A)
NOJ  A1689 (-2.9A)
NOJ  A1689 ( 3.9A)
0.62A 3aicC-2ya2A:
3.8
3aicC-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)
6 ARG A 663
ASP A 665
GLU A 694
HIS A 821
ASP A 822
TYR A 547
None
0.41A 3aicC-2yocA:
4.5
3aicC-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
GLU A 232
HIS A 314
ASP A 315
TYR A  81
GLC  A 603 (-3.4A)
GLC  A 603 (-2.6A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 603 ( 4.0A)
0.67A 3aicC-2z1kA:
5.1
3aicC-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 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
TYR A 916
GLN A 960
None
0.24A 3aicC-3aibA:
70.9
3aicC-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)
6 ARG A 213
ASP A 215
ASN A 302
HIS A 351
ASP A  69
TYR A  72
GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
None
GLC  A 601 (-3.9A)
GLC  A 601 (-2.6A)
GLC  A 601 (-3.7A)
0.87A 3aicC-3axiA:
4.6
3aicC-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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1


(Saccharomyces
cerevisiae)
PF00128
(Alpha-amylase)
6 ARG A 213
ASP A 215
HIS A 351
ASP A 352
ASP A  69
TYR A  72
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)
GLC  A 601 (-3.7A)
0.73A 3aicC-3axiA:
4.6
3aicC-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)
7 ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
TYR A 184
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)
ACI  A 806 ( 4.0A)
0.56A 3aicC-3bc9A:
13.7
3aicC-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 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
TYR A 184
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)
ACI  A 806 ( 4.0A)
1.10A 3aicC-3bc9A:
13.7
3aicC-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)
7 ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
TYR A 101
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)
ACI  A 694 ( 4.0A)
0.65A 3aicC-3bmwA:
9.7
3aicC-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)
6 ARG A 169
ASP A 171
GLU A 200
HIS A 276
ASP A 277
TYR A  67
None
0.72A 3aicC-3dhuA:
7.5
3aicC-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)
6 ARG A 800
ASP A 802
GLU A 831
HIS A 918
ASP A 919
TYR A 691
None
0.59A 3aicC-3fawA:
4.7
3aicC-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)
7 ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ASP A  75
TYR A  78
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 (-2.8A)
EDO  A8003 ( 4.4A)
0.72A 3aicC-3gbdA:
7.5
3aicC-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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM


(Serratia
plymuthica)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
6 ARG A 212
GLU A 268
HIS A 341
ASP A 342
TYR A  78
GLN A 182
None
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
EDO  A8003 ( 4.4A)
None
1.03A 3aicC-3gbdA:
7.5
3aicC-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)
6 ARG A 220
ASP A 222
GLU A 249
HIS A 440
ASP A 441
TYR A  48
None
GOL  A 802 (-2.8A)
GOL  A 804 (-3.8A)
None
GOL  A 802 ( 3.7A)
GOL  A 802 ( 4.3A)
0.72A 3aicC-3hjeA:
4.5
3aicC-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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME


(Mycobacterium
tuberculosis)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
6 ARG A 409
ASP A 411
ALA A 412
HIS A 531
ASP A 532
TYR A 306
None
0.98A 3aicC-3k1dA:
2.6
3aicC-3k1dA:
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron)
PF00128
(Alpha-amylase)
7 ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
TYR A 114
None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
ACT  A 961 ( 4.4A)
0.66A 3aicC-3k8kA:
6.7
3aicC-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
ASN A 321
HIS A 392
TYR A 163
None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
None
BTB  A 605 (-4.1A)
BTB  A 605 (-3.6A)
0.85A 3aicC-3m07A:
6.3
3aicC-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.
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)
1.02A 3aicC-3m07A:
6.3
3aicC-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.
3m07 PUTATIVE ALPHA
AMYLASE


(Salmonella
enterica)
PF00128
(Alpha-amylase)
PF11941
(DUF3459)
6 ARG A 259
ASP A 261
ALA A 262
HIS A 392
ASP A 393
TYR A 163
None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
BTB  A 605 (-4.1A)
BTB  A 605 (-4.1A)
BTB  A 605 (-3.6A)
0.78A 3aicC-3m07A:
6.3
3aicC-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)
6 ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
TYR A  62
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)
TRS  A 505 (-4.0A)
0.63A 3aicC-3qgvA:
10.9
3aicC-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)
8 ARG A 282
ASP A 284
ALA A 285
GLU A 326
HIS A 395
ASP A 396
ASP A 137
TYR A 140
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)
GOL  A 720 (-4.0A)
0.67A 3aicC-3ucqA:
6.0
3aicC-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)
6 ARG A 250
ALA A 253
GLU A 283
HIS A 376
ASP A 377
TYR A 152
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)
GLC  A 604 ( 3.5A)
0.71A 3aicC-3vgfA:
5.3
3aicC-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 ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
TYR A  62
CL  A 507 (-3.9A)
None
None
None
None
None
None
0.66A 3aicC-3vm5A:
11.3
3aicC-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 ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
TYR A 102
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
None
0.62A 3aicC-3vm7A:
4.7
3aicC-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)
6 ARG A 411
ASP A 413
GLU A 442
ARG A 475
HIS A 525
TYR A 299
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)
MTT  A 802 (-4.0A)
0.71A 3aicC-3wdjA:
3.4
3aicC-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)
6 ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
TYR A 299
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)
MTT  A 802 (-4.0A)
0.60A 3aicC-3wdjA:
3.4
3aicC-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)
6 ARG A 201
ASP A 203
GLU A 228
HIS A 313
ASP A 314
TYR A  76
None
GOL  A 505 (-3.4A)
None
GOL  A 505 (-4.3A)
GOL  A 505 (-2.9A)
GOL  A 505 (-3.9A)
0.61A 3aicC-3wn6A:
10.3
3aicC-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)
7 ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ASP A  62
TYR A  65
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)
BGC  A 605 (-3.7A)
0.68A 3aicC-3wy2A:
6.2
3aicC-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)
6 ARG A 200
GLU A 271
HIS A 332
ASP A 333
TYR A  65
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 (-3.7A)
BGC  A 605 ( 4.2A)
0.92A 3aicC-3wy2A:
6.2
3aicC-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)
7 ARG A 440
ASP A 442
GLU A 471
ARG A 492
HIS A 535
ASP A 536
TYR A 296
None
1.16A 3aicC-4aeeA:
4.1
3aicC-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)
6 ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
TYR A 270
None
0.79A 3aicC-4aefA:
7.1
3aicC-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)
7 ARG A 196
ASP A 198
GLU A 240
HIS A 315
ASP A 316
ASP A  59
TYR A  62
GOL  A1542 ( 4.4A)
GOL  A1542 (-2.7A)
GOL  A1542 ( 3.6A)
None
GOL  A1548 (-3.5A)
GOL  A1542 (-2.1A)
GOL  A1542 (-3.6A)
0.68A 3aicC-4aieA:
4.0
3aicC-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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E


(Lactobacillus
acidophilus)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
6 ARG A 196
GLU A 240
HIS A 315
ASP A 316
TYR A  62
GLN A 166
GOL  A1542 ( 4.4A)
GOL  A1542 ( 3.6A)
None
GOL  A1548 (-3.5A)
GOL  A1542 (-3.6A)
GOL  A1542 ( 3.5A)
0.96A 3aicC-4aieA:
4.0
3aicC-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)
6 ARG A 471
ASP A 473
GLU A 510
HIS A 641
ASP A 642
TYR A 357
None
GOL  A1888 (-3.0A)
GOL  A1888 ( 4.9A)
None
None
GOL  A1888 (-3.9A)
0.37A 3aicC-4aioA:
5.3
3aicC-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)
6 ARG A 471
GLU A 510
ARG A 544
HIS A 641
ASP A 642
TYR A 357
None
GOL  A1888 ( 4.9A)
None
None
None
GOL  A1888 (-3.9A)
0.81A 3aicC-4aioA:
5.3
3aicC-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 ARG A1022
ASP A1024
ALA A1025
ASN A1028
GLU A1061
HIS A1132
ASP A1133
ASP A1463
TYR A1470
GLN A1514
None
0.43A 3aicC-4amcA:
61.4
3aicC-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 ARG A1023
ASP A1025
ALA A1026
ASN A1029
GLU A1063
ARG A1088
HIS A1135
ASP A1136
ASP A1458
TYR A1465
GLN A1509
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 ( 4.1A)
GOL  A2773 (-3.0A)
0.59A 3aicC-4aygA:
55.7
3aicC-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)
6 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
TYR A 104
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)
ACI  A 505 (-4.1A)
0.65A 3aicC-4e2oA:
9.9
3aicC-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)
6 ARG A 239
GLU A 295
HIS A 368
ASP A 369
ASP A 102
TYR A 105
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)
GLC  A 703 (-3.5A)
0.73A 3aicC-4hozA:
3.4
3aicC-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)
6 ARG A 239
GLU A 295
HIS A 368
ASP A 369
TYR A 105
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 (-3.5A)
GLC  A 703 (-3.8A)
0.99A 3aicC-4hozA:
3.4
3aicC-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 ARG A 227
ASP A 229
ALA A 230
HIS A 328
ASP A 329
TYR A 100
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
EDO  A 718 ( 3.9A)
None
GOL  A 711 ( 4.0A)
0.87A 3aicC-4jclA:
5.9
3aicC-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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB


(Escherichia
coli)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
6 ARG A 403
ASP A 405
ALA A 406
HIS A 525
ASP A 526
TYR A 300
None
0.90A 3aicC-4lq1A:
5.7
3aicC-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)
8 ARG A 197
ASP A 199
ALA A 200
GLU A 255
HIS A 331
ASP A 332
ASP A  59
TYR A  62
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)
TRS  A 601 (-3.6A)
0.68A 3aicC-4m8uA:
3.8
3aicC-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
GLU A 255
HIS A 331
ASP A 332
TYR A  62
GLN A 167
TRS  A 601 ( 4.8A)
TRS  A 601 ( 2.7A)
None
GOL  A 602 (-2.8A)
TRS  A 601 (-3.6A)
TRS  A 601 ( 4.3A)
0.89A 3aicC-4m8uA:
3.8
3aicC-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)
6 ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
TYR A 331
GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
GLC  A1001 ( 3.8A)
0.72A 3aicC-4okdA:
5.3
3aicC-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)
9 ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
TYR A2650
GLN A2694
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.3A)
GOL  A3008 (-3.2A)
0.27A 3aicC-4tvcA:
49.4
3aicC-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 ARG A 230
ASP A 232
ALA A 233
GLU A 262
HIS A 328
ASP A 329
TYR A  57
NA  A1490 ( 4.1A)
NA  A1490 (-2.9A)
NA  A1490 ( 4.2A)
NA  A1490 (-2.7A)
None
NA  A1490 ( 4.5A)
None
0.61A 3aicC-4uzuA:
11.7
3aicC-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)
6 ARG A 192
ASP A 194
HIS A 312
ASP A 313
ASP A  60
TYR A  63
None
0.71A 3aicC-4xb3A:
2.2
3aicC-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 ARG A 211
ASP A 213
GLU A 242
HIS A 309
ASP A 310
TYR A 100
ACT  A1479 ( 4.9A)
ACT  A1479 (-2.6A)
ACT  A1479 ( 4.5A)
None
ACT  A1479 ( 4.9A)
ACT  A1479 (-3.9A)
0.67A 3aicC-5a2aA:
8.0
3aicC-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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes)
no annotation 7 ARG B 195
ASP B 197
GLU B 254
HIS B 327
ASP B 328
ASP B  61
TYR B  64
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)
BGC  B 601 (-3.8A)
1.15A 3aicC-5do8B:
6.4
3aicC-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 ARG A1013
ASP A1015
ALA A1016
ASN A1019
GLU A1053
HIS A1124
ASP A1125
TYR A1439
GLN A1484
None
None
None
None
None
None
GLC  A1711 ( 3.2A)
GLC  A1711 ( 4.4A)
None
0.62A 3aicC-5jbeA:
52.7
3aicC-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)
7 ARG B 211
ASP B 213
ALA B 214
GLU B 253
HIS B 304
ASP B 305
TYR B  83
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)
K  B 605 ( 3.2A)
0.63A 3aicC-5m99B:
7.6
3aicC-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 8 ARG A 284
ASP A 286
ALA A 287
GLU A 328
HIS A 392
ASP A 393
ASP A 144
TYR A 147
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)
TRS  A 701 (-3.5A)
0.67A 3aicC-5n6vA:
6.3
3aicC-5n6vA:
6.89
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea)
no annotation 6 ARG A 284
GLU A 328
HIS A 392
ASP A 393
TYR A 147
GLN A 254
TRS  A 701 ( 4.6A)
TRS  A 701 (-2.8A)
None
TRS  A 701 ( 4.6A)
TRS  A 701 (-3.5A)
TRS  A 701 (-4.2A)
1.03A 3aicC-5n6vA:
6.3
3aicC-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 ARG A 675
ASP A 677
ALA A 678
ASN A 681
HIS A 789
ASP A 790
ASP A1118
TYR A1127
GLN A1183
None
0.36A 3aicC-5ngyA:
57.7
3aicC-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
GLU A 534
HIS A 600
ASP A 601
TYR A 383
None
0.78A 3aicC-5ot1A:
8.0
3aicC-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 6 ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
TYR A 259
None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
None
0.60A 3aicC-5ww1A:
7.3
3aicC-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 8 ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ASP A 310
ASP A  62
TYR A  65
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)
TRS  A 600 (-3.5A)
0.66A 3aicC-5x7uA:
4.6
3aicC-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 6 ARG A 200
GLU A 244
HIS A 309
ASP A 310
TYR A  65
GLN A 170
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
TRS  A 600 (-3.5A)
TRS  A 600 ( 4.5A)
1.00A 3aicC-5x7uA:
4.6
3aicC-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 7 ARG A 354
ASP A 356
ALA A 357
GLU A 396
HIS A 471
ASP A 472
TYR A 223
None
0.68A 3aicC-5z0uA:
6.4
3aicC-5z0uA:
6.78