SIMILAR PATTERNS OF AMINO ACIDS FOR 1DED_A_QPSA1001_1

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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TYR A  56
ASP B 231
ALA B 232
HIS B 327
ASP B 328
 None
 0.59A 1dedA-1bplA:
5.4		 1dedA-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) 		11 HIS A  94
TYR A  96
LEU A 190
LEU A 193
ASP A 225
ALA A 226
GLU A 253
HIS A 323
ASP A 324
ASP A 367
ARG A 371
 None
 0.55A 1dedA-1cygA:
60.4		 1dedA-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 TYR A  96
LEU A 193
ASP A 225
HIS A 323
ASP A 367
ARG A 371
 None
 1.36A 1dedA-1cygA:
60.4		 1dedA-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) 		6 TYR A  54
LEU A 196
ASP A 231
ALA A 232
HIS A 327
ASP A 328
 None
 0.77A 1dedA-1e43A:
26.2		 1dedA-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) 		6 HIS C 201
TYR C 203
ASP C 238
HIS C 420
ASP C 421
ARG C 469
 None
 1.39A 1dedA-1ea9C:
31.3		 1dedA-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) 		7 HIS A 181
TYR A 183
ASP A 311
HIS A 417
ASP A 418
ASP A 466
ARG A 470
 None
 1.01A 1dedA-1h3gA:
33.9		 1dedA-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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		6 HIS A 181
TYR A 183
GLU A 340
ASP A 418
ASP A 466
ARG A 470
 None
 1.30A 1dedA-1h3gA:
33.9		 1dedA-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) 		8 HIS A  48
TYR A  50
LEU A 199
ASP A 228
HIS A 442
ASP A 443
ASP A 596
ARG A 600
 None
None
None
None
None
None
MLZ  A 513 ( 4.9A)
None
 0.77A 1dedA-1iv8A:
29.5		 1dedA-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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		7 HIS A  48
TYR A  50
LEU A 199
GLU A 255
ASP A 443
ASP A 596
ARG A 600
 None
None
None
None
None
MLZ  A 513 ( 4.9A)
None
 1.03A 1dedA-1iv8A:
29.5		 1dedA-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) 		7 HIS A 205
TYR A 207
ASP A 328
HIS A 423
ASP A 424
ASP A 468
ARG A 472
 None
 0.68A 1dedA-1j0hA:
39.3		 1dedA-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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		6 HIS A 205
TYR A 207
GLU A 357
ASP A 424
ASP A 468
ARG A 472
 None
 0.99A 1dedA-1j0hA:
39.3		 1dedA-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) 		7 TYR A  60
LEU A 150
LEU A 153
ASP A 185
ALA A 186
HIS A 286
ASP A 287
 None
 0.65A 1dedA-1jaeA:
28.6		 1dedA-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.
1jf5 ALPHA AMYLASE II

(Thermoactinomyces
vulgaris) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 HIS A 202
TYR A 204
ASP A 325
HIS A 420
ASP A 421
 None
 0.73A 1dedA-1jf5A:
34.0		 1dedA-1jf5A:
22.10
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 TYR A  62
LEU A 162
LEU A 165
ASP A 197
ALA A 198
HIS A 299
ASP A 300
 None
 0.71A 1dedA-1jxkA:
27.6		 1dedA-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) 		11 HIS A  98
TYR A 100
LEU A 194
TYR A 195
LEU A 197
ASP A 229
ALA A 230
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
None
GLC  A1694 (-4.3A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1694 (-3.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.47A 1dedA-1kclA:
64.3		 1dedA-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) 		9 HIS A  98
TYR A 100
TYR A 195
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 BGC  A1696 (-4.1A)
GLC  A1695 ( 3.1A)
GLC  A1694 (-4.3A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 0.69A 1dedA-1kclA:
64.3		 1dedA-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) 		6 TYR A 100
LEU A 194
ASP A 229
HIS A 327
ASP A 371
ARG A 375
 GLC  A1695 ( 3.1A)
None
GLC  A1695 (-3.2A)
GLC  A1695 (-4.1A)
BGC  A1696 (-3.5A)
BGC  A1696 (-2.7A)
 1.28A 1dedA-1kclA:
64.3		 1dedA-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 100
LEU A 197
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
 GLC  A1695 ( 3.1A)
BGC  A1696 (-4.8A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
BGC  A1696 (-3.5A)
 1.34A 1dedA-1kclA:
64.3		 1dedA-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) 		6 TYR A  50
LEU A 139
LEU A 142
ALA A 175
HIS A 263
ASP A 264
 ACR  A 598 (-4.5A)
None
ACR  A 598 ( 4.9A)
ACR  A 598 (-3.7A)
None
ACR  A 598 (-3.1A)
 0.68A 1dedA-1kxhA:
29.5		 1dedA-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
ASP A 186
ALA A 187
HIS A 277
ASP A 278
 None
 0.79A 1dedA-1lwhA:
32.2		 1dedA-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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 TYR A  62
LEU A 162
LEU A 165
ASP A 197
ALA A 198
HIS A 299
ASP A 300
 AC1  A 992 ( 3.6A)
None
AC1  A 990 ( 4.8A)
AC1  A 992 ( 3.3A)
AC1  A 992 (-3.5A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 0.61A 1dedA-1oseA:
27.3		 1dedA-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) 		9 HIS A  90
TYR A  92
LEU A 196
ASP A 228
ALA A 229
HIS A 328
ASP A 329
ASP A 372
ARG A 376
 ABD  A1200 ( 3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 ( 4.8A)
ABD  A1200 (-3.1A)
ABD  A1200 (-3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
 0.62A 1dedA-1qhoA:
56.0		 1dedA-1qhoA:
45.06
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) 		7 HIS A  90
TYR A  92
LEU A 196
GLU A 256
ASP A 329
ASP A 372
ARG A 376
 ABD  A1200 ( 3.7A)
ABD  A1200 (-3.8A)
ABD  A1200 ( 4.8A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
 0.92A 1dedA-1qhoA:
56.0		 1dedA-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) 		7 HIS A 205
TYR A 207
ASP A 328
GLU A 357
ASP A 424
ASP A 468
ARG A 472
 None
 1.04A 1dedA-1smaA:
38.6		 1dedA-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.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		7 HIS A 205
TYR A 207
ASP A 328
HIS A 423
ASP A 424
ASP A 468
ARG A 472
 None
 0.82A 1dedA-1smaA:
38.6		 1dedA-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) 		6 TYR A  62
LEU A 141
LEU A 142
ASP A 176
ALA A 177
HIS A 268
 ACI  A 504 ( 3.7A)
G6D  A 505 ( 4.7A)
GLD  A 502 (-4.1A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 (-3.8A)
 1.47A 1dedA-1ua7A:
30.9		 1dedA-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) 		7 TYR A  62
LEU A 141
LEU A 144
ASP A 176
ALA A 177
HIS A 268
ASP A 269
 ACI  A 504 ( 3.7A)
G6D  A 505 ( 4.7A)
GLD  A 502 ( 4.8A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.59A 1dedA-1ua7A:
30.9		 1dedA-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) 		5 LEU A 196
ASP A 231
ALA A 232
HIS A 327
ASP A 328
 None
 0.60A 1dedA-1ud3A:
26.3		 1dedA-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 196
LEU A 197
ASP A 231
ALA A 232
HIS A 327
 None
 0.96A 1dedA-1ud3A:
26.3		 1dedA-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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TYR A  56
ASP A 231
ALA A 232
HIS A 327
ASP A 328
 None
 0.58A 1dedA-1vjsA:
27.6		 1dedA-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) 		6 TYR A  58
LEU A 201
ASP A 236
ALA A 237
HIS A 332
ASP A 333
 AC1  A1492 ( 3.9A)
AC1  A1492 ( 4.9A)
AC1  A1492 (-3.0A)
AC1  A1492 (-3.8A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.66A 1dedA-1w9xA:
25.7		 1dedA-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) 		6 HIS A  91
TYR A  93
GLU A 260
HIS A 329
ASP A 330
ARG A 379
 None
 0.94A 1dedA-1wzaA:
33.4		 1dedA-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) 		7 HIS A  80
TYR A  82
LEU A 173
ASP A 206
HIS A 296
ASP A 297
ARG A 344
 None
None
None
CA  A 486 (-3.0A)
None
CA  A 486 ( 4.6A)
None
 0.65A 1dedA-2aaaA:
41.0		 1dedA-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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		6 HIS A  80
TYR A  82
LEU A 173
GLU A 230
ASP A 297
ARG A 344
 None
None
None
CA  A 486 (-2.5A)
CA  A 486 ( 4.6A)
None
 1.07A 1dedA-2aaaA:
41.0		 1dedA-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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 TYR A 177
ASP A 275
ALA A 276
HIS A 399
ASP A 400
 None
 0.63A 1dedA-2bxyA:
26.6		 1dedA-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) 		6 TYR A  58
LEU A 201
ASP A 236
ALA A 237
HIS A 332
ASP A 333
 GLC  A 605 (-4.8A)
None
None
None
None
GLC  A 605 (-3.5A)
 0.67A 1dedA-2d3lA:
26.2		 1dedA-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
LEU A 201
ASP A 236
ALA A 237
GLU A 266
HIS A 332
ASP A 333
 None
 0.67A 1dedA-2dieA:
26.1		 1dedA-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) 		5 ASP A 192
ALA A 193
HIS A 289
ASP A 290
ARG A 403
 SUC  A2064 (-3.1A)
SUC  A2064 (-3.6A)
SUC  A2064 (-3.7A)
SUC  A2064 (-2.9A)
SUC  A2064 ( 4.9A)
 0.51A 1dedA-2gduA:
26.5		 1dedA-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) 		5 TYR A  64
ASP A 200
HIS A 326
ASP A 327
ARG A 418
 None
 0.72A 1dedA-2pwhA:
27.9		 1dedA-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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		8 HIS A  79
TYR A  81
LEU A 170
ASP A 202
HIS A 314
ASP A 315
ASP A 359
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 603 (-2.6A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 ( 3.3A)
GLC  A 602 (-3.0A)
 0.74A 1dedA-2z1kA:
37.8		 1dedA-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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		8 HIS A  79
TYR A  81
LEU A 170
GLU A 232
HIS A 314
ASP A 315
ASP A 359
ARG A 363
 GLC  A 602 (-3.4A)
GLC  A 603 ( 4.0A)
GLC  A 602 (-4.9A)
GLC  A 501 ( 2.9A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
GLC  A 602 ( 3.3A)
GLC  A 602 (-3.0A)
 1.01A 1dedA-2z1kA:
37.8		 1dedA-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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 LEU A 315
ASP A 350
ALA A 351
HIS A 446
ASP A 447
ARG A 450
 None
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
GLC  A 805 (-3.1A)
 1.10A 1dedA-3bc9A:
27.1		 1dedA-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) 		6 TYR A 184
LEU A 315
ASP A 350
ALA A 351
HIS A 446
ASP A 447
 ACI  A 806 ( 4.0A)
None
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.70A 1dedA-3bc9A:
27.1		 1dedA-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) 		7 HIS A  99
TYR A 101
ASP A 230
GLU A 258
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.94A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
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) 		10 HIS A  99
TYR A 101
LEU A 195
LEU A 198
ASP A 230
ALA A 231
HIS A 328
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
None
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.64A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
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) 		6 TYR A 101
LEU A 198
ASP A 230
GLU A 258
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
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) 		6 TYR A 101
LEU A 198
ASP A 230
HIS A 328
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		8 HIS A  46
TYR A  48
LEU A 193
ASP A 222
HIS A 440
ASP A 441
ASP A 593
ARG A 597
 GOL  A 803 (-3.6A)
GOL  A 802 ( 4.3A)
None
GOL  A 802 (-2.8A)
None
GOL  A 802 ( 3.7A)
GOL  A 803 (-3.0A)
GOL  A 803 (-2.7A)
 0.73A 1dedA-3hjeA:
22.4		 1dedA-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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		7 HIS A  46
TYR A  48
LEU A 193
GLU A 249
ASP A 441
ASP A 593
ARG A 597
 GOL  A 803 (-3.6A)
GOL  A 802 ( 4.3A)
None
GOL  A 804 (-3.8A)
GOL  A 802 ( 3.7A)
GOL  A 803 (-3.0A)
GOL  A 803 (-2.7A)
 0.99A 1dedA-3hjeA:
22.4		 1dedA-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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		8 HIS A 112
TYR A 114
ASP A 388
ALA A 389
HIS A 497
ASP A 498
ASP A 545
ARG A 549
 EDO  A 901 ( 3.8A)
ACT  A 961 ( 4.4A)
ACT  A 961 (-2.8A)
ACT  A 961 ( 4.2A)
None
EDO  A 901 (-4.4A)
EDO  A 902 ( 2.7A)
EDO  A 901 (-3.1A)
 0.81A 1dedA-3k8kA:
30.6		 1dedA-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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		7 HIS A 112
TYR A 114
GLU A 431
HIS A 497
ASP A 498
ASP A 545
ARG A 549
 EDO  A 901 ( 3.8A)
ACT  A 961 ( 4.4A)
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
EDO  A 902 ( 2.7A)
EDO  A 901 (-3.1A)
 1.13A 1dedA-3k8kA:
30.6		 1dedA-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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		6 TYR A 140
ASP A 284
ALA A 285
HIS A 395
ASP A 396
ARG A 524
 GOL  A 720 (-4.0A)
GOL  A 720 (-3.0A)
None
GOL  A 721 (-4.6A)
TRS  A 700 (-3.1A)
None
 0.63A 1dedA-3ucqA:
23.6		 1dedA-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) 		7 TYR A  62
LEU A 162
LEU A 165
ASP A 197
ALA A 198
HIS A 299
ASP A 300
 None
 0.60A 1dedA-3vm5A:
27.5		 1dedA-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) 		7 HIS A 100
TYR A 102
GLU A 249
HIS A 315
ASP A 316
ASP A 359
ARG A 363
 None
None
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
None
None
 1.04A 1dedA-3vm7A:
41.9		 1dedA-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.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		9 HIS A 100
TYR A 102
LEU A 185
LEU A 192
ASP A 225
HIS A 315
ASP A 316
ASP A 359
ARG A 363
 None
None
None
None
GLC  A 503 (-3.5A)
None
GLC  A 503 (-3.0A)
None
None
 0.71A 1dedA-3vm7A:
41.9		 1dedA-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.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		7 TYR A 102
LEU A 192
ASP A 225
HIS A 315
ASP A 316
ASP A 359
ARG A 363
 None
None
GLC  A 503 (-3.5A)
None
GLC  A 503 (-3.0A)
None
None
 1.41A 1dedA-3vm7A:
41.9		 1dedA-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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 TYR A  65
ASP A 202
HIS A 332
ASP A 333
ARG A 404
 BGC  A 605 (-3.7A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
BGC  A 605 ( 4.5A)
 0.73A 1dedA-3wy2A:
28.3		 1dedA-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) 		7 HIS A 294
TYR A 296
ASP A 442
GLU A 471
ASP A 536
ASP A 579
ARG A 583
 None
 1.02A 1dedA-4aeeA:
37.4		 1dedA-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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		7 HIS A 294
TYR A 296
ASP A 442
HIS A 535
ASP A 536
ASP A 579
ARG A 583
 None
 0.67A 1dedA-4aeeA:
37.4		 1dedA-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) 		5 TYR A 270
ASP A 411
HIS A 501
ASP A 502
ARG A 552
 None
 0.47A 1dedA-4aefA:
37.2		 1dedA-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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 TYR A1470
LEU A 980
ASP A1024
ALA A1025
HIS A1132
 None
 0.71A 1dedA-4amcA:
6.0		 1dedA-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 LEU A 981
ASP A1025
ALA A1026
GLU A1063
HIS A1135
ASP A1136
 None
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
GOL  A2791 (-4.3A)
 1.04A 1dedA-4aygA:
6.3		 1dedA-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) 		6 TYR A1465
LEU A 981
ASP A1025
ALA A1026
GLU A1063
HIS A1135
 GOL  A2773 ( 4.1A)
None
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
GOL  A2791 (-3.4A)
None
 0.96A 1dedA-4aygA:
6.3		 1dedA-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) 		5 TYR A1465
LEU A 981
LEU A 982
ASP A1025
ALA A1026
 GOL  A2773 ( 4.1A)
None
None
GOL  A2773 ( 2.9A)
GOL  A2791 (-3.6A)
 0.74A 1dedA-4aygA:
6.3		 1dedA-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
LEU A 194
TYR A 195
LEU A 197
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 None
 0.72A 1dedA-4cgtA:
60.1		 1dedA-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) 		11 HIS A  98
TYR A 100
LEU A 194
LEU A 197
ASP A 229
ALA A 230
GLU A 257
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 None
 0.60A 1dedA-4cgtA:
60.1		 1dedA-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) 		8 TYR A 100
LEU A 197
ASP A 229
GLU A 257
HIS A 327
ASP A 328
ASP A 371
ARG A 375
 None
 1.29A 1dedA-4cgtA:
60.1		 1dedA-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) 		8 HIS A 102
TYR A 104
LEU A 184
ASP A 217
GLU A 246
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 1.00A 1dedA-4e2oA:
43.3		 1dedA-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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		8 HIS A 102
TYR A 104
LEU A 184
ASP A 217
HIS A 313
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.1A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 0.74A 1dedA-4e2oA:
43.3		 1dedA-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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		8 HIS A 102
TYR A 104
TYR A 182
ASP A 217
GLU A 246
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 1.16A 1dedA-4e2oA:
43.3		 1dedA-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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		8 HIS A 102
TYR A 104
TYR A 182
ASP A 217
HIS A 313
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 0.89A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
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) 		12 HIS A  98
TYR A 100
LEU A 194
TYR A 195
LEU A 197
ASP A 229
ALA A 230
GLU A 258
HIS A 328
ASP A 329
ASP A 372
ARG A 376
 GOL  A 716 ( 3.7A)
GOL  A 711 ( 4.0A)
None
EDO  A 727 ( 4.9A)
EDO  A 720 ( 4.6A)
GOL  A 711 (-2.8A)
GOL  A 711 ( 3.8A)
None
EDO  A 718 ( 3.9A)
None
GOL  A 716 (-2.7A)
GOL  A 716 (-3.1A)
 0.49A 1dedA-4jclA:
61.3		 1dedA-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) 		6 TYR A 100
LEU A 197
ASP A 229
HIS A 328
ASP A 372
ARG A 376
 GOL  A 711 ( 4.0A)
EDO  A 720 ( 4.6A)
GOL  A 711 (-2.8A)
EDO  A 718 ( 3.9A)
GOL  A 716 (-2.7A)
GOL  A 716 (-3.1A)
 1.40A 1dedA-4jclA:
61.3		 1dedA-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) 		8 HIS A  95
LEU A 185
ASP A 220
GLU A 248
HIS A 317
ASP A 318
ASP A 361
ARG A 365
 None
 0.85A 1dedA-4jcmA:
58.7		 1dedA-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) 		10 HIS A  95
LEU A 185
TYR A 186
LEU A 188
ASP A 220
ALA A 221
GLU A 248
HIS A 317
ASP A 361
ARG A 365
 None
 0.62A 1dedA-4jcmA:
58.7		 1dedA-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) 		6 LEU A 185
ASP A 220
HIS A 317
ASP A 318
ASP A 361
ARG A 365
 None
 1.30A 1dedA-4jcmA:
58.7		 1dedA-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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		6 TYR A  62
ASP A 199
ALA A 200
HIS A 331
ASP A 332
ARG A 422
 TRS  A 601 (-3.6A)
TRS  A 601 (-2.7A)
TRS  A 601 ( 4.0A)
None
GOL  A 602 (-2.8A)
None
 0.73A 1dedA-4m8uA:
27.0		 1dedA-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) 		5 TYR A2650
LEU A2166
LEU A2167
ASP A2210
ALA A2211
 GOL  A3008 (-3.3A)
None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
 0.70A 1dedA-4tvcA:
6.5		 1dedA-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) 		6 TYR A  57
LEU A 197
ASP A 232
ALA A 233
HIS A 328
ASP A 329
 None
None
NA  A1490 (-2.9A)
NA  A1490 ( 4.2A)
None
NA  A1490 ( 4.5A)
 0.71A 1dedA-4uzuA:
25.9		 1dedA-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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		9 HIS A  98
TYR A 100
LEU A 177
LEU A 180
ASP A 213
HIS A 309
ASP A 310
ASP A 358
ARG A 362
 ACT  A1478 ( 4.1A)
ACT  A1479 (-3.9A)
None
None
ACT  A1479 (-2.6A)
None
ACT  A1479 ( 4.9A)
ACT  A1478 (-2.7A)
ACT  A1478 (-2.9A)
 0.68A 1dedA-5a2aA:
44.2		 1dedA-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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		7 HIS A  98
TYR A 100
LEU A 180
GLU A 242
ASP A 310
ASP A 358
ARG A 362
 ACT  A1478 ( 4.1A)
ACT  A1479 (-3.9A)
None
ACT  A1479 ( 4.5A)
ACT  A1479 ( 4.9A)
ACT  A1478 (-2.7A)
ACT  A1478 (-2.9A)
 0.96A 1dedA-5a2aA:
44.2		 1dedA-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.
5bn7 MALTODEXTRIN
GLUCOSIDASE

(Escherichia
coli) 		PF00128
(Alpha-amylase) 		6 HIS A 209
TYR A 211
TYR A 295
ASP A 336
ASP A 448
ARG A 496
 None
 1.32A 1dedA-5bn7A:
6.3		 1dedA-5bn7A:
21.14
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.
5bn7 MALTODEXTRIN
GLUCOSIDASE

(Escherichia
coli) 		PF00128
(Alpha-amylase) 		6 HIS A 209
TYR A 295
LEU A 298
ASP A 336
ASP A 448
ARG A 496
 None
 1.27A 1dedA-5bn7A:
6.3		 1dedA-5bn7A:
21.14
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		5 TYR A  89
ASP A 178
HIS A 296
ASP A 297
ARG A 371
 MLR  A 701 (-4.0A)
MLR  A 701 (-3.0A)
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
MLR  A 701 (-2.9A)
 0.68A 1dedA-5h05A:
33.1		 1dedA-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) 		6 TYR A1439
LEU A 971
ASP A1015
ALA A1016
HIS A1124
ASP A1125
 GLC  A1711 ( 4.4A)
None
None
None
None
GLC  A1711 ( 3.2A)
 0.77A 1dedA-5jbeA:
4.4		 1dedA-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) 		7 HIS B  81
TYR B  83
ASP B 213
ALA B 214
HIS B 304
ASP B 367
ARG B 371
 None
K  B 605 ( 3.2A)
EDO  B 616 ( 2.8A)
EDO  B 616 ( 4.7A)
None
None
None
 0.92A 1dedA-5m99B:
30.4		 1dedA-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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		6 HIS B  81
TYR B  83
GLU B 253
HIS B 304
ASP B 367
ARG B 371
 None
K  B 605 ( 3.2A)
K  B 605 ( 4.7A)
None
None
None
 1.27A 1dedA-5m99B:
30.4		 1dedA-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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		7 TYR B  83
ASP B 213
ALA B 214
HIS B 304
ASP B 305
ASP B 367
ARG B 371
 K  B 605 ( 3.2A)
EDO  B 616 ( 2.8A)
EDO  B 616 ( 4.7A)
None
K  B 605 ( 4.7A)
None
None
 0.93A 1dedA-5m99B:
30.4		 1dedA-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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		6 TYR B  83
GLU B 253
HIS B 304
ASP B 305
ASP B 367
ARG B 371
 K  B 605 ( 3.2A)
K  B 605 ( 4.7A)
None
K  B 605 ( 4.7A)
None
None
 1.26A 1dedA-5m99B:
30.4		 1dedA-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 6 TYR A 147
ASP A 286
ALA A 287
HIS A 392
ASP A 393
ARG A 513
 TRS  A 701 (-3.5A)
TRS  A 701 (-2.8A)
TRS  A 701 ( 4.0A)
None
TRS  A 701 ( 4.6A)
None
 0.71A 1dedA-5n6vA:
25.1		 1dedA-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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 6 TYR A1127
LEU A 629
LEU A 630
ASP A 677
ALA A 678
HIS A 789
 None
 1.11A 1dedA-5ngyA:
9.0		 1dedA-5ngyA:
21.95
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 6 TYR A 383
LEU A 471
ASP A 503
HIS A 600
ASP A 601
ARG A 661
 None
 0.86A 1dedA-5ot1A:
35.3		 1dedA-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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 6 TYR A  65
ASP A 202
ALA A 203
HIS A 309
ASP A 310
ARG A 393
 TRS  A 600 (-3.5A)
TRS  A 600 (-2.8A)
TRS  A 600 ( 3.7A)
None
TRS  A 600 ( 4.7A)
None
 0.67A 1dedA-5x7uA:
28.7		 1dedA-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 6 HIS A 221
TYR A 223
GLU A 396
HIS A 471
ASP A 516
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
 0.97A 1dedA-5z0uA:
34.6		 1dedA-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
LEU A 311
ASP A 356
HIS A 471
ASP A 516
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
 0.81A 1dedA-5z0uA:
34.6		 1dedA-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 8 HIS A 221
TYR A 223
LEU A 316
ASP A 356
ALA A 357
HIS A 471
ASP A 516
ARG A 520
 MPD  A 704 (-4.0A)
None
None
None
None
None
None
None
 0.73A 1dedA-5z0uA:
34.6		 1dedA-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 6 TYR A 223
GLU A 396
HIS A 471
ASP A 472
ASP A 516
ARG A 520
 None
 0.98A 1dedA-5z0uA:
34.6		 1dedA-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 TYR A 223
LEU A 311
ASP A 356
HIS A 471
ASP A 472
ASP A 516
ARG A 520
 None
 0.97A 1dedA-5z0uA:
34.6		 1dedA-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 8 TYR A 223
LEU A 316
ASP A 356
ALA A 357
HIS A 471
ASP A 472
ASP A 516
ARG A 520
 None
 0.72A 1dedA-5z0uA:
34.6		 1dedA-5z0uA:
8.71