SIMILAR PATTERNS OF AMINO ACIDS FOR 1DED_B_QPSB1501

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 TYR A  51
ARG A 177
ASP A 179
GLU A 204
HIS A 288
ASP A 289
 None
 0.77A 1dedB-1amyA:
28.2		 1dedB-1amyA:
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		6 TYR A 250
ARG A 373
ASP A 375
GLU A 435
HIS A 509
ASP A 510
 None
 0.85A 1dedB-1bf2A:
18.8		 1dedB-1bf2A:
23.35
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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  56
ARG B 229
ASP B 231
ALA B 232
GLU B 261
HIS B 327
ASP B 328
 None
 0.67A 1dedB-1bplA:
6.6		 1dedB-1bplA:
15.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		10 HIS A  94
TYR A  96
LEU A 193
ARG A 223
ASP A 225
ALA A 226
GLU A 253
HIS A 323
ASP A 324
ARG A 371
 None
 0.52A 1dedB-1cygA:
63.5		 1dedB-1cygA:
63.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		8 HIS A  94
TYR A  96
LEU A 193
ASP A 225
ALA A 226
PHE A 255
HIS A 323
ARG A 371
 None
 0.64A 1dedB-1cygA:
63.5		 1dedB-1cygA:
63.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  96
LEU A 190
ARG A 223
ASP A 225
HIS A 323
ASP A 324
ARG A 371
 None
 1.31A 1dedB-1cygA:
63.5		 1dedB-1cygA:
63.43
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  54
ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
 None
 0.70A 1dedB-1e43A:
24.2		 1dedB-1e43A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		7 HIS C 201
TYR C 203
ARG C 323
GLU C 354
HIS C 420
ASP C 421
ARG C 469
 None
 0.81A 1dedB-1ea9C:
32.3		 1dedB-1ea9C:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		8 HIS A 181
TYR A 183
ARG A 309
ASP A 311
GLU A 340
HIS A 417
ASP A 418
ARG A 470
 None
 0.78A 1dedB-1h3gA:
36.1		 1dedB-1h3gA:
22.14
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		9 HIS A  48
TYR A  50
LEU A 199
ARG A 226
ASP A 228
GLU A 255
HIS A 442
ASP A 443
ARG A 600
 None
 0.79A 1dedB-1iv8A:
25.3		 1dedB-1iv8A:
21.59
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		8 HIS A 205
TYR A 207
ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
ARG A 472
 None
 0.71A 1dedB-1j0hA:
37.2		 1dedB-1j0hA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TYR A  60
LEU A 153
ARG A 183
ASP A 185
ALA A 186
GLU A 222
HIS A 286
ASP A 287
 None
None
CL  A 501 (-4.0A)
None
None
None
None
None
 0.74A 1dedB-1jaeA:
30.4		 1dedB-1jaeA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TYR A  62
LEU A 165
ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
 None
None
CL  A 493 (-4.0A)
None
None
None
None
None
 0.80A 1dedB-1jxkA:
25.0		 1dedB-1jxkA:
24.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		12 HIS A  98
TYR A 100
TYR A 195
LEU A 197
ARG A 227
ASP A 229
ALA A 230
GLU A 257
PHE A 259
HIS A 327
ASP A 328
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 ( 2.6A)
GLC  A1693 (-3.7A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-2.7A)
 0.53A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 TYR A  50
LEU A 142
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 ACR  A 598 (-4.5A)
ACR  A 598 ( 4.9A)
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.78A 1dedB-1kxhA:
27.0		 1dedB-1kxhA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		6 HIS A  52
TYR A  54
ARG A 184
ASP A 186
ALA A 187
GLU A 216
 None
 0.76A 1dedB-1lwhA:
32.8		 1dedB-1lwhA:
22.02
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		7 HIS A  52
TYR A  54
ARG A 184
ASP A 186
ALA A 187
HIS A 277
ASP A 278
 None
 0.63A 1dedB-1lwhA:
32.8		 1dedB-1lwhA:
22.02
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A 105
ARG A 239
ASP A 241
GLU A 295
HIS A 368
ASP A 369
ARG A 460
 None
 0.81A 1dedB-1m53A:
26.5		 1dedB-1m53A:
25.33
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 TYR A  62
ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
 None
ZN  A 441 ( 4.8A)
ZN  A 441 ( 4.2A)
ZN  A 441 (-2.0A)
None
ZN  A 441 (-4.0A)
 0.64A 1dedB-1mwoA:
28.9		 1dedB-1mwoA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TYR A  62
LEU A 165
ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
 AC1  A 992 ( 3.6A)
AC1  A 990 ( 4.8A)
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)
 0.70A 1dedB-1oseA:
24.9		 1dedB-1oseA:
24.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		10 HIS A  90
TYR A  92
LEU A 196
ARG A 226
ASP A 228
ALA A 229
GLU A 256
HIS A 328
ASP A 329
ARG A 376
 ABD  A1200 ( 3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 ( 4.8A)
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 (-2.9A)
 0.66A 1dedB-1qhoA:
59.8		 1dedB-1qhoA:
45.06
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.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		8 HIS A 205
TYR A 207
ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
ARG A 472
 None
 0.84A 1dedB-1smaA:
36.6		 1dedB-1smaA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		7 TYR A  62
LEU A 142
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
 ACI  A 504 ( 3.7A)
GLD  A 502 (-4.1A)
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)
 1.27A 1dedB-1ua7A:
28.5		 1dedB-1ua7A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		8 TYR A  62
LEU A 144
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 ACI  A 504 ( 3.7A)
GLD  A 502 ( 4.8A)
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)
 0.64A 1dedB-1ua7A:
28.5		 1dedB-1ua7A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  56
ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
 None
 0.79A 1dedB-1ud3A:
28.1		 1dedB-1ud3A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 TYR A  56
LEU A 197
ARG A 229
ASP A 231
ALA A 232
HIS A 327
 None
 0.81A 1dedB-1ud3A:
28.1		 1dedB-1ud3A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A  63
ARG A 197
ASP A 199
GLU A 255
HIS A 328
ASP A 329
ARG A 419
 None
 0.73A 1dedB-1uokA:
25.5		 1dedB-1uokA:
25.11
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  56
ARG A 229
ASP A 231
ALA A 232
GLU A 261
HIS A 327
ASP A 328
 None
 0.52A 1dedB-1vjsA:
24.1		 1dedB-1vjsA:
23.84
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  58
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 AC1  A1492 ( 3.9A)
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
AC1  A1492 (-3.8A)
AC1  A1492 (-2.8A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.65A 1dedB-1w9xA:
27.7		 1dedB-1w9xA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		7 HIS A  91
TYR A  93
ARG A 222
GLU A 260
HIS A 329
ASP A 330
ARG A 379
 None
 0.89A 1dedB-1wzaA:
32.2		 1dedB-1wzaA:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		9 HIS A  80
TYR A  82
LEU A 173
ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
ARG A 344
 None
None
None
CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
None
 0.72A 1dedB-2aaaA:
40.0		 1dedB-2aaaA:
26.03
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		6 TYR A  78
ARG A 191
ASP A 193
GLU A 219
HIS A 293
ASP A 294
 None
 0.84A 1dedB-2amgA:
27.2		 1dedB-2amgA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		6 TYR A 177
ARG A 273
ASP A 275
ALA A 276
HIS A 399
ASP A 400
 None
 0.63A 1dedB-2bxyA:
31.4		 1dedB-2bxyA:
22.00
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		6 TYR A 177
ARG A 273
ASP A 275
GLU A 308
HIS A 399
ASP A 400
 None
 0.83A 1dedB-2bxyA:
31.4		 1dedB-2bxyA:
22.00
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  58
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 GLC  A 605 (-4.8A)
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.70A 1dedB-2d3lA:
24.0		 1dedB-2d3lA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  58
ARG A 234
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
 0.58A 1dedB-2dieA:
28.0		 1dedB-2dieA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
ARG A 403
 SUC  A2064 (-3.4A)
SUC  A2064 (-3.1A)
SUC  A2064 (-3.6A)
SUC  A2064 (-3.7A)
SUC  A2064 (-2.9A)
SUC  A2064 ( 4.9A)
 0.54A 1dedB-2gduA:
24.3		 1dedB-2gduA:
21.75
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		7 TYR A  64
ARG A 198
ASP A 200
GLU A 254
HIS A 326
ASP A 327
ARG A 418
 None
 0.78A 1dedB-2pwhA:
27.5		 1dedB-2pwhA:
26.24
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 TYR A  52
ARG A 178
ASP A 180
GLU A 205
HIS A 290
ASP A 291
 None
 0.70A 1dedB-2qpsA:
28.1		 1dedB-2qpsA:
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		6 TYR A 244
ARG A 361
ASP A 363
GLU A 399
HIS A 470
ASP A 471
 A16  A1722 (-3.6A)
A16  A1722 ( 3.6A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
A16  A1722 (-4.0A)
A16  A1722 (-3.4A)
 0.87A 1dedB-2vr5A:
19.5		 1dedB-2vr5A:
22.14
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		6 TYR A 509
ARG A 620
ASP A 622
GLU A 651
HIS A 735
ASP A 736
 None
 0.80A 1dedB-2wanA:
31.6		 1dedB-2wanA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		6 TYR A 667
ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.80A 1dedB-2ya1A:
22.3		 1dedB-2ya1A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		6 TYR A 212
ARG A 321
ASP A 323
GLU A 352
HIS A 439
ASP A 440
 NOJ  A1689 ( 3.9A)
NOJ  A1689 (-3.5A)
NOJ  A1689 (-2.8A)
NOJ  A1689 (-3.0A)
NOJ  A1689 (-3.8A)
NOJ  A1689 (-2.9A)
 0.88A 1dedB-2ya2A:
22.4		 1dedB-2ya2A:
22.35
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		9 HIS A  79
TYR A  81
LEU A 170
ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
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 602 (-3.0A)
 0.74A 1dedB-2z1kA:
40.7		 1dedB-2z1kA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		7 TYR A 916
ARG A 475
ASP A 477
ALA A 478
GLU A 515
HIS A 587
ASP A 588
 None
 0.90A 1dedB-3aibA:
8.4		 1dedB-3aibA:
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		7 TYR A 916
LEU A 434
ARG A 475
ASP A 477
ALA A 478
GLU A 515
HIS A 587
 None
 1.03A 1dedB-3aibA:
8.4		 1dedB-3aibA:
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		6 TYR A  72
ARG A 213
ASP A 215
HIS A 351
ASP A 352
ARG A 446
 GLC  A 601 (-3.7A)
GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
GLC  A 601 ( 4.7A)
 0.69A 1dedB-3axiA:
24.5		 1dedB-3axiA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A 184
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ARG A 450
 ACI  A 806 ( 4.0A)
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)
GLC  A 805 (-3.1A)
 1.03A 1dedB-3bc9A:
24.4		 1dedB-3bc9A:
24.12
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A 184
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 ACI  A 806 ( 4.0A)
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)
 0.71A 1dedB-3bc9A:
24.4		 1dedB-3bc9A:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		11 HIS A  99
TYR A 101
LEU A 198
ARG A 228
ASP A 230
ALA A 231
GLU A 258
PHE A 260
HIS A 328
ASP A 329
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
G6D  A 693 ( 4.3A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 2.9A)
 0.63A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		6 TYR A  67
ARG A 169
ASP A 171
GLU A 200
HIS A 276
ASP A 277
 None
 0.80A 1dedB-3dhuA:
31.9		 1dedB-3dhuA:
24.75
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A  78
ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
ARG A 433
 EDO  A8003 ( 4.4A)
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
None
 0.80A 1dedB-3gbdA:
27.0		 1dedB-3gbdA:
26.24
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		9 HIS A  46
TYR A  48
LEU A 193
ARG A 220
ASP A 222
GLU A 249
HIS A 440
ASP A 441
ARG A 597
 GOL  A 803 (-3.6A)
GOL  A 802 ( 4.3A)
None
None
GOL  A 802 (-2.8A)
GOL  A 804 (-3.8A)
None
GOL  A 802 ( 3.7A)
GOL  A 803 (-2.7A)
 0.76A 1dedB-3hjeA:
22.4		 1dedB-3hjeA:
21.42
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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		6 TYR A 306
ARG A 409
ASP A 411
ALA A 412
HIS A 531
ASP A 532
 None
 0.85A 1dedB-3k1dA:
25.0		 1dedB-3k1dA:
20.92
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		9 HIS A 112
TYR A 114
ARG A 386
ASP A 388
ALA A 389
GLU A 431
HIS A 497
ASP A 498
ARG A 549
 EDO  A 901 ( 3.8A)
ACT  A 961 ( 4.4A)
None
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
EDO  A 901 (-3.1A)
 0.68A 1dedB-3k8kA:
34.9		 1dedB-3k8kA:
23.61
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 TYR A 163
ARG A 259
ASP A 261
ALA A 262
HIS A 392
ASP A 393
 BTB  A 605 (-3.6A)
None
BTB  A 605 (-2.9A)
BTB  A 605 (-3.6A)
BTB  A 605 (-4.1A)
BTB  A 605 (-4.1A)
 0.83A 1dedB-3m07A:
30.5		 1dedB-3m07A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 TYR A  62
ARG A 196
ASP A 198
GLU A 222
HIS A 288
ASP A 289
 TRS  A 505 (-4.0A)
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)
 0.73A 1dedB-3qgvA:
28.6		 1dedB-3qgvA:
23.77
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		6 TYR A 140
ARG A 282
ASP A 284
ALA A 285
GLU A 326
HIS A 395
 GOL  A 720 (-4.0A)
GOL  A 721 (-3.4A)
GOL  A 720 (-3.0A)
None
TRS  A 700 (-4.2A)
GOL  A 721 (-4.6A)
 0.86A 1dedB-3ucqA:
27.8		 1dedB-3ucqA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		7 TYR A 140
ARG A 282
ASP A 284
ALA A 285
HIS A 395
ASP A 396
ARG A 524
 GOL  A 720 (-4.0A)
GOL  A 721 (-3.4A)
GOL  A 720 (-3.0A)
None
GOL  A 721 (-4.6A)
TRS  A 700 (-3.1A)
None
 0.66A 1dedB-3ucqA:
27.8		 1dedB-3ucqA:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TYR A  62
LEU A 165
ARG A 195
ASP A 197
ALA A 198
GLU A 233
HIS A 299
ASP A 300
 None
None
CL  A 507 (-3.9A)
None
None
None
None
None
 0.75A 1dedB-3vm5A:
24.9		 1dedB-3vm5A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		9 HIS A 100
TYR A 102
LEU A 192
ARG A 223
ASP A 225
GLU A 249
HIS A 315
ASP A 316
ARG A 363
 None
None
None
None
GLC  A 503 (-3.5A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
None
 0.68A 1dedB-3vm7A:
45.1		 1dedB-3vm7A:
24.23
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		6 TYR A 299
ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-4.0A)
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)
 0.80A 1dedB-3wdjA:
25.7		 1dedB-3wdjA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 TYR A  76
ARG A 201
ASP A 203
GLU A 228
HIS A 313
ASP A 314
 GOL  A 505 (-3.9A)
None
GOL  A 505 (-3.4A)
None
GOL  A 505 (-4.3A)
GOL  A 505 (-2.9A)
 0.71A 1dedB-3wn6A:
28.4		 1dedB-3wn6A:
20.81
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		7 TYR A  65
ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
ARG A 404
 BGC  A 605 (-3.7A)
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 ( 4.5A)
 0.76A 1dedB-3wy2A:
27.8		 1dedB-3wy2A:
24.82
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		7 TYR A  65
ASP A 202
GLU A 271
PHE A 297
HIS A 332
ASP A 333
ARG A 404
 BGC  A 605 (-3.7A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.3A)
None
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.5A)
 1.07A 1dedB-3wy2A:
27.8		 1dedB-3wy2A:
24.82
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		8 HIS A 294
TYR A 296
ARG A 440
ASP A 442
GLU A 471
HIS A 535
ASP A 536
ARG A 583
 None
 0.73A 1dedB-4aeeA:
34.1		 1dedB-4aeeA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		7 TYR A 270
ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
ARG A 552
 None
 0.68A 1dedB-4aefA:
33.2		 1dedB-4aefA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A  62
ARG A 196
ASP A 198
GLU A 240
HIS A 315
ASP A 316
ARG A 405
 GOL  A1542 (-3.6A)
GOL  A1542 ( 4.4A)
GOL  A1542 (-2.7A)
GOL  A1542 ( 3.6A)
None
GOL  A1548 (-3.5A)
None
 0.80A 1dedB-4aieA:
29.7		 1dedB-4aieA:
25.20
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		6 ARG A1022
ASP A1024
ALA A1025
GLU A1061
HIS A1132
ASP A1133
 None
 0.88A 1dedB-4amcA:
8.3		 1dedB-4amcA:
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		7 TYR A1470
LEU A 981
ARG A1022
ASP A1024
ALA A1025
GLU A1061
HIS A1132
 None
 0.91A 1dedB-4amcA:
8.3		 1dedB-4amcA:
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		6 ARG A1023
ASP A1025
ALA A1026
GLU A1063
HIS A1135
ASP A1136
 GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
GOL  A2791 (-4.3A)
 0.92A 1dedB-4aygA:
8.2		 1dedB-4aygA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		7 TYR A1465
LEU A 982
ARG A1023
ASP A1025
ALA A1026
GLU A1063
HIS A1135
 GOL  A2773 ( 4.1A)
None
GOL  A2791 (-3.8A)
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
 0.98A 1dedB-4aygA:
8.2		 1dedB-4aygA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		11 HIS A  98
TYR A 100
TYR A 195
LEU A 197
ARG A 227
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
ARG A 375
 None
 0.68A 1dedB-4cgtA:
64.1		 1dedB-4cgtA:
72.16
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		10 HIS A 102
TYR A 104
TYR A 182
LEU A 184
ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
GLC  A 504 (-4.8A)
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)
GLC  A 504 (-2.6A)
 0.80A 1dedB-4e2oA:
41.3		 1dedB-4e2oA:
25.40
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 TYR A 105
ARG A 239
GLU A 295
HIS A 368
ASP A 369
ARG A 460
 GLC  A 703 (-3.5A)
GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
GLC  A 703 ( 4.6A)
 0.84A 1dedB-4hozA:
26.8		 1dedB-4hozA:
24.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		11 HIS A  98
TYR A 100
TYR A 195
LEU A 197
ARG A 227
ASP A 229
ALA A 230
GLU A 258
HIS A 328
ASP A 329
ARG A 376
 GOL  A 716 ( 3.7A)
GOL  A 711 ( 4.0A)
EDO  A 727 ( 4.9A)
EDO  A 720 ( 4.6A)
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
None
GOL  A 716 (-3.1A)
 0.51A 1dedB-4jclA:
66.6		 1dedB-4jclA:
67.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		7 TYR A 100
LEU A 194
ARG A 227
ASP A 229
HIS A 328
ASP A 329
ARG A 376
 GOL  A 711 ( 4.0A)
None
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
EDO  A 718 ( 3.9A)
None
GOL  A 716 (-3.1A)
 1.20A 1dedB-4jclA:
66.6		 1dedB-4jclA:
67.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		9 HIS A  95
TYR A 186
LEU A 188
ARG A 218
ASP A 220
ALA A 221
GLU A 248
HIS A 317
ARG A 365
 None
 0.66A 1dedB-4jcmA:
59.4		 1dedB-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		8 HIS A  95
TYR A 186
LEU A 188
ASP A 220
ALA A 221
PHE A 250
HIS A 317
ARG A 365
 None
 0.67A 1dedB-4jcmA:
59.4		 1dedB-4jcmA:
54.49
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		6 TYR A 300
ARG A 403
ASP A 405
ALA A 406
HIS A 525
ASP A 526
 None
 0.79A 1dedB-4lq1A:
24.2		 1dedB-4lq1A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		8 TYR A  62
ARG A 197
ASP A 199
ALA A 200
GLU A 255
HIS A 331
ASP A 332
ARG A 422
 TRS  A 601 (-3.6A)
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)
None
 0.78A 1dedB-4m8uA:
26.4		 1dedB-4m8uA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		7 TYR A2650
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
 GOL  A3008 (-3.3A)
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
 0.90A 1dedB-4tvcA:
7.7		 1dedB-4tvcA:
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.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  57
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)
 0.69A 1dedB-4uzuA:
27.9		 1dedB-4uzuA:
23.37
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 TYR A  63
ARG A 192
ASP A 194
HIS A 312
ASP A 313
ARG A 402
 None
 0.66A 1dedB-4xb3A:
30.2		 1dedB-4xb3A:
23.99
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		9 HIS A  98
TYR A 100
LEU A 180
ARG A 211
ASP A 213
GLU A 242
HIS A 309
ASP A 310
ARG A 362
 ACT  A1478 ( 4.1A)
ACT  A1479 (-3.9A)
None
ACT  A1479 ( 4.9A)
ACT  A1479 (-2.6A)
ACT  A1479 ( 4.5A)
None
ACT  A1479 ( 4.9A)
ACT  A1478 (-2.9A)
 0.65A 1dedB-5a2aA:
42.3		 1dedB-5a2aA:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		6 TYR A  89
ARG A 176
ASP A 178
HIS A 296
ASP A 297
ARG A 371
 MLR  A 701 (-4.0A)
MLR  A 701 (-3.7A)
MLR  A 701 (-3.0A)
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
MLR  A 701 (-2.9A)
 0.58A 1dedB-5h05A:
36.1		 1dedB-5h05A:
25.53
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		7 TYR A1439
ARG A1013
ASP A1015
ALA A1016
GLU A1053
HIS A1124
ASP A1125
 GLC  A1711 ( 4.4A)
None
None
None
None
None
GLC  A1711 ( 3.2A)
 0.66A 1dedB-5jbeA:
8.6		 1dedB-5jbeA:
24.13
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		10 HIS B  81
TYR B  83
ARG B 211
ASP B 213
ALA B 214
GLU B 253
PHE B 255
HIS B 304
ASP B 305
ARG B 371
 None
K  B 605 ( 3.2A)
K  B 605 ( 4.8A)
EDO  B 616 ( 2.8A)
EDO  B 616 ( 4.7A)
K  B 605 ( 4.7A)
None
None
K  B 605 ( 4.7A)
None
 0.79A 1dedB-5m99B:
28.5		 1dedB-5m99B:
24.32
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 8 TYR A 147
ARG A 284
ASP A 286
ALA A 287
GLU A 328
HIS A 392
ASP A 393
ARG A 513
 TRS  A 701 (-3.5A)
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)
None
 0.84A 1dedB-5n6vA:
23.3		 1dedB-5n6vA:
8.10
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 7 HIS A 381
TYR A 383
ARG A 501
ASP A 503
GLU A 534
HIS A 600
ARG A 661
 None
 0.80A 1dedB-5ot1A:
34.3		 1dedB-5ot1A:
8.78
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 7 TYR A 383
LEU A 471
ARG A 501
ASP A 503
GLU A 534
HIS A 600
ARG A 661
 None
 0.82A 1dedB-5ot1A:
34.3		 1dedB-5ot1A:
8.78
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 7 TYR A 383
LEU A 471
ARG A 501
ASP A 503
HIS A 600
ASP A 601
ARG A 661
 None
 0.78A 1dedB-5ot1A:
34.3		 1dedB-5ot1A:
8.78
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 6 TYR A 259
ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.80A 1dedB-5ww1A:
29.8		 1dedB-5ww1A:
8.58
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 7 TYR A  65
ARG A 200
ASP A 202
ALA A 203
GLU A 244
HIS A 309
ARG A 393
 TRS  A 600 (-3.5A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
TRS  A 600 (-2.7A)
None
None
 0.82A 1dedB-5x7uA:
29.1		 1dedB-5x7uA:
8.95
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 7 TYR A  65
ARG A 200
ASP A 202
ALA A 203
HIS A 309
ASP A 310
ARG A 393
 TRS  A 600 (-3.5A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
None
TRS  A 600 ( 4.7A)
None
 0.65A 1dedB-5x7uA:
29.1		 1dedB-5x7uA:
8.95
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 9 HIS A 221
TYR A 223
ARG A 354
ASP A 356
ALA A 357
GLU A 396
HIS A 471
ASP A 472
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
None
None
 0.68A 1dedB-5z0uA:
42.0		 1dedB-5z0uA:
8.71
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 7 HIS A 221
TYR A 223
ASP A 356
GLU A 396
PHE A 417
HIS A 471
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
 1.33A 1dedB-5z0uA:
42.0		 1dedB-5z0uA:
8.71
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 9 TYR A 223
LEU A 316
ARG A 354
ASP A 356
ALA A 357
GLU A 396
HIS A 471
ASP A 472
ARG A 520
 None
 0.72A 1dedB-5z0uA:
42.0		 1dedB-5z0uA:
8.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 TRP A  97
HIS A 136
PHE A 179
LEU A 190
ASP A 192
LYS A 228
 None
 0.67A 1dedB-1cygA:
63.5		 1dedB-1cygA:
63.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 TRP A  97
HIS A 136
PHE A 179
LEU A 190
LYS A 228
ASP A 367
 None
 0.58A 1dedB-1cygA:
63.5		 1dedB-1cygA:
63.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
ASP A 371
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
BGC  A1696 (-3.5A)
 0.33A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
 None
BGC  A1696 (-4.2A)
GLC  A1695 (-3.8A)
GLC  A1693 (-4.5A)
None
None
GLC  A1693 ( 4.8A)
 0.47A 1dedB-1kclA:
68.6		 1dedB-1kclA:
88.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 TYR A 227
PHE A 321
LEU A 301
ASP A 299
ASP A 188
 None
 1.45A 1dedB-2vqrA:
0.6		 1dedB-2vqrA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		7 TRP A 102
HIS A 141
PHE A 184
LEU A 195
ASP A 197
LYS A 233
ASP A 371
 GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GLC  A 692 (-4.0A)
None
GOL  A 704 (-3.1A)
GLC  A 692 ( 2.8A)
GLC  A 695 ( 3.0A)
 0.45A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 TYR A 383
HIS A 107
LEU A 110
ASP A 112
ASN A  87
 None
 1.45A 1dedB-3lkbA:
0.5		 1dedB-3lkbA:
19.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
ASP A 196
LYS A 232
ASP A 371
 None
 0.62A 1dedB-4cgtA:
64.1		 1dedB-4cgtA:
72.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
 None
 0.66A 1dedB-4cgtA:
64.1		 1dedB-4cgtA:
72.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		8 TYR A  89
TRP A 101
HIS A 140
PHE A 183
LEU A 194
ASP A 196
LYS A 232
ASP A 372
 EDO  A 720 (-4.5A)
EDO  A 720 ( 4.0A)
GOL  A 711 (-4.0A)
None
None
EDO  A 720 ( 3.1A)
None
GOL  A 716 (-2.7A)
 0.56A 1dedB-4jclA:
66.6		 1dedB-4jclA:
67.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 TRP A  98
HIS A 137
LEU A 185
ASP A 187
ASP A 361
 None
 0.51A 1dedB-4jcmA:
59.4		 1dedB-4jcmA:
54.49