SIMILAR PATTERNS OF AMINO ACIDS FOR 1MXD_A_ACRA735_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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		10 TRP A   9
TYR A  51
HIS A  92
ARG A 177
ASP A 179
LYS A 182
GLU A 204
TRP A 206
HIS A 288
ASP A 289
 None
 0.45A 1mxdA-1amyA:
41.1		 1mxdA-1amyA:
28.33
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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		8 TYR A  51
HIS A  92
PHE A 143
ARG A 177
ASP A 179
LYS A 182
GLU A 204
HIS A 288
 None
 0.70A 1mxdA-1amyA:
41.1		 1mxdA-1amyA:
28.33
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		7 TYR A 250
HIS A 297
ARG A 373
ASP A 375
GLU A 435
HIS A 509
ASP A 510
 None
 0.59A 1mxdA-1bf2A:
17.5		 1mxdA-1bf2A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		9 TRP A  13
TYR A  56
ARG B 229
ASP B 231
LYS B 234
GLU B 261
TRP B 263
HIS B 327
ASP B 328
 None
 0.96A 1mxdA-1bplA:
12.5		 1mxdA-1bplA:
21.55
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.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		9 TRP A  13
TYR A  56
HIS A 105
ARG B 229
ASP B 231
LYS B 234
GLU B 261
HIS B 327
ASP B 328
 None
 0.62A 1mxdA-1bplA:
12.5		 1mxdA-1bplA:
21.55
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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  96
HIS A 136
ARG A 223
ASP A 225
GLU A 253
HIS A 323
ASP A 324
 None
 0.85A 1mxdA-1cygA:
30.4		 1mxdA-1cygA:
23.36
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A 100
HIS A 140
ARG A 227
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-2.9A)
QPS  A1001 ( 4.3A)
QPS  A1001 ( 3.8A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.79A 1mxdA-1dedA:
30.7		 1mxdA-1dedA:
23.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		9 TRP A  11
TYR A  54
ARG A 229
ASP A 231
LYS A 234
GLU A 261
TRP A 263
HIS A 327
ASP A 328
 None
 0.93A 1mxdA-1e43A:
40.0		 1mxdA-1e43A:
31.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		9 TRP A  11
TYR A  54
HIS A 103
ARG A 229
ASP A 231
LYS A 234
GLU A 261
HIS A 327
ASP A 328
 None
 0.53A 1mxdA-1e43A:
40.0		 1mxdA-1e43A:
31.63
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		7 TYR C 203
HIS C 243
PHE C 286
ARG C 323
GLU C 354
HIS C 420
ASP C 421
 None
 0.98A 1mxdA-1ea9C:
23.3		 1mxdA-1ea9C:
22.24
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		7 TRP A  25
TYR A  78
ARG A 191
ASP A 193
GLU A 219
TRP A 221
HIS A 293
 None
 0.69A 1mxdA-1gcyA:
35.9		 1mxdA-1gcyA:
28.24
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		7 TRP A  25
TYR A  78
HIS A 117
ARG A 191
ASP A 193
TRP A 221
HIS A 293
 None
 0.42A 1mxdA-1gcyA:
35.9		 1mxdA-1gcyA:
28.24
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		7 TRP A  25
TYR A  78
HIS A 117
PHE A 156
ARG A 191
ASP A 193
HIS A 293
 None
 0.73A 1mxdA-1gcyA:
35.9		 1mxdA-1gcyA:
28.24
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		8 TYR A 183
HIS A 223
ARG A 309
ASP A 311
GLU A 340
TRP A 342
HIS A 417
ASP A 418
 None
 0.48A 1mxdA-1h3gA:
25.0		 1mxdA-1h3gA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		8 TYR A  50
HIS A  90
PHE A 193
ARG A 226
ASP A 228
GLU A 255
HIS A 442
ASP A 443
 None
 0.65A 1mxdA-1iv8A:
24.8		 1mxdA-1iv8A:
21.05
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		8 TYR A 207
HIS A 247
PHE A 289
ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
 None
 0.62A 1mxdA-1j0hA:
28.8		 1mxdA-1j0hA:
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  56
TYR A  60
HIS A  99
ARG A 183
ASP A 185
LYS A 188
GLU A 222
HIS A 286
ASP A 287
 None
None
None
CL  A 501 (-4.0A)
None
None
None
None
None
 0.65A 1mxdA-1jaeA:
30.3		 1mxdA-1jaeA:
23.69
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  58
TYR A  62
HIS A 101
ARG A 195
ASP A 197
LYS A 200
GLU A 233
HIS A 299
ASP A 300
 None
None
None
CL  A 493 (-4.0A)
None
None
None
None
None
 0.70A 1mxdA-1jxkA:
29.2		 1mxdA-1jxkA:
23.53
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A 100
HIS A 140
ARG A 227
ASP A 229
GLU A 257
HIS A 327
ASP A 328
 GLC  A1695 ( 3.1A)
GLC  A1695 (-3.8A)
GLC  A1695 ( 4.1A)
GLC  A1695 (-3.2A)
GLC  A1695 ( 2.6A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.49A 1mxdA-1kclA:
30.9		 1mxdA-1kclA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TRP A  46
TYR A  50
HIS A  89
ARG A 172
LYS A 177
GLU A 200
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
ACR  A 598 (-3.8A)
CL  A 900 (-4.1A)
None
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.69A 1mxdA-1kxhA:
30.2		 1mxdA-1kxhA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		8 TYR A 105
HIS A 145
PHE A 205
ARG A 239
ASP A 241
GLU A 295
HIS A 368
ASP A 369
 None
 1.00A 1mxdA-1m53A:
22.9		 1mxdA-1m53A:
23.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		12 TRP A  18
TYR A  62
HIS A 111
PHE A 159
ARG A 196
ASP A 198
TYR A 199
LYS A 201
GLU A 222
TRP A 224
HIS A 288
ASP A 289
 None
None
None
None
ZN  A 441 ( 4.8A)
ZN  A 441 ( 4.2A)
None
None
ZN  A 441 (-2.0A)
None
None
ZN  A 441 (-4.0A)
 0.17A 1mxdA-1mwoA:
67.0		 1mxdA-1mwoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  58
TYR A  62
HIS A 101
ARG A 195
ASP A 197
LYS A 200
GLU A 233
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
AC1  A 992 ( 3.7A)
AC1  A 992 ( 3.7A)
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 2.7A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 0.71A 1mxdA-1oseA:
28.9		 1mxdA-1oseA:
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		8 TYR A  92
HIS A 132
ARG A 226
ASP A 228
LYS A 231
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.8A)
ABD  A1200 (-3.9A)
ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.30A 1mxdA-1qhoA:
30.8		 1mxdA-1qhoA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		8 TYR A  92
HIS A 132
PHE A 188
ARG A 226
ASP A 228
GLU A 256
HIS A 328
ASP A 329
 ABD  A1200 (-3.8A)
ABD  A1200 (-3.9A)
ABD  A1200 (-4.1A)
ABD  A1200 (-3.3A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.59A 1mxdA-1qhoA:
30.8		 1mxdA-1qhoA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		8 TYR A 207
HIS A 247
PHE A 289
ARG A 326
ASP A 328
GLU A 357
HIS A 423
ASP A 424
 None
 0.88A 1mxdA-1smaA:
28.9		 1mxdA-1smaA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		9 TRP A  58
TYR A  62
HIS A 102
ARG A 174
ASP A 176
LYS A 179
GLU A 208
HIS A 268
ASP A 269
 None
ACI  A 504 ( 3.7A)
ACI  A 504 (-4.0A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
BGC  A 506 (-2.7A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.68A 1mxdA-1ua7A:
31.7		 1mxdA-1ua7A:
25.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		10 TRP A  13
TYR A  56
HIS A 105
ARG A 229
ASP A 231
LYS A 234
GLU A 261
TRP A 263
HIS A 327
ASP A 328
 None
 0.92A 1mxdA-1ud3A:
39.3		 1mxdA-1ud3A:
32.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		8 TYR A  63
HIS A 103
PHE A 163
ARG A 197
ASP A 199
GLU A 255
HIS A 328
ASP A 329
 None
 0.93A 1mxdA-1uokA:
23.4		 1mxdA-1uokA:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 TRP A  13
TYR A  56
ARG A 229
ASP A 231
GLU A 261
TRP A 263
HIS A 327
ASP A 328
 None
 0.91A 1mxdA-1vjsA:
40.3		 1mxdA-1vjsA:
32.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TRP A  13
TYR A  56
HIS A 105
ARG A 229
ASP A 231
HIS A 327
ASP A 328
 None
 0.69A 1mxdA-1vjsA:
40.3		 1mxdA-1vjsA:
32.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  56
ARG A 229
ASP A 231
LYS A 234
GLU A 261
TRP A 263
HIS A 327
 None
 1.08A 1mxdA-1vjsA:
40.3		 1mxdA-1vjsA:
32.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		9 TRP A  15
TYR A  58
ARG A 234
ASP A 236
LYS A 239
GLU A 266
TRP A 268
HIS A 332
ASP A 333
 None
AC1  A1492 ( 3.9A)
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
GLC  A1491 (-2.5A)
AC1  A1492 (-2.8A)
None
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.81A 1mxdA-1w9xA:
39.1		 1mxdA-1w9xA:
32.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		9 TRP A  15
TYR A  58
HIS A 107
ARG A 234
ASP A 236
LYS A 239
GLU A 266
HIS A 332
ASP A 333
 None
AC1  A1492 ( 3.9A)
AC1  A1492 (-4.3A)
AC1  A1492 (-3.3A)
AC1  A1492 (-3.0A)
GLC  A1491 (-2.5A)
AC1  A1492 (-2.8A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.33A 1mxdA-1w9xA:
39.1		 1mxdA-1w9xA:
32.49
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		8 TYR A  93
HIS A 133
PHE A 188
ARG A 222
GLU A 260
TRP A 262
HIS A 329
ASP A 330
 None
 1.14A 1mxdA-1wzaA:
27.9		 1mxdA-1wzaA:
27.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		7 TYR A  82
HIS A 122
ARG A 204
ASP A 206
GLU A 230
HIS A 296
ASP A 297
 None
None
CA  A 486 ( 4.5A)
CA  A 486 (-3.0A)
CA  A 486 (-2.5A)
None
CA  A 486 ( 4.6A)
 0.33A 1mxdA-2aaaA:
31.4		 1mxdA-2aaaA:
24.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		7 TRP A  25
HIS A 117
ARG A 191
ASP A 193
GLU A 219
TRP A 221
ASP A 294
 None
 0.85A 1mxdA-2amgA:
36.0		 1mxdA-2amgA:
30.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		8 TRP A  25
TYR A  78
HIS A 117
ARG A 191
ASP A 193
GLU A 219
TRP A 221
HIS A 293
 None
 0.65A 1mxdA-2amgA:
36.0		 1mxdA-2amgA:
30.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		7 TRP A  25
TYR A  78
HIS A 117
PHE A 156
ARG A 191
ASP A 193
HIS A 293
 None
 0.77A 1mxdA-2amgA:
36.0		 1mxdA-2amgA:
30.15
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		8 TRP A 175
TYR A 177
HIS A 217
ARG A 273
ASP A 275
GLU A 308
HIS A 399
ASP A 400
 None
 1.14A 1mxdA-2bxyA:
24.8		 1mxdA-2bxyA:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		10 TRP A  15
TYR A  58
HIS A 107
ARG A 234
ASP A 236
LYS A 239
GLU A 266
TRP A 268
HIS A 332
ASP A 333
 None
GLC  A 605 (-4.8A)
None
None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.90A 1mxdA-2d3lA:
39.8		 1mxdA-2d3lA:
30.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TRP A  15
TYR A  58
ARG A 234
ASP A 236
GLU A 266
TRP A 268
HIS A 332
 None
 1.00A 1mxdA-2dieA:
39.7		 1mxdA-2dieA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TRP A  15
TYR A  58
ARG A 234
ASP A 236
TRP A 268
HIS A 332
ASP A 333
 None
 0.98A 1mxdA-2dieA:
39.7		 1mxdA-2dieA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TRP A  15
TYR A  58
HIS A 107
ARG A 234
ASP A 236
HIS A 332
ASP A 333
 None
 0.59A 1mxdA-2dieA:
39.7		 1mxdA-2dieA:
31.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TYR A  58
ARG A 234
ASP A 236
LYS A 239
GLU A 266
TRP A 268
HIS A 332
 None
 1.12A 1mxdA-2dieA:
39.7		 1mxdA-2dieA:
31.99
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		7 TYR A 292
HIS A 340
ARG A 404
ASP A 406
GLU A 435
HIS A 524
ASP A 525
 None
 0.70A 1mxdA-2e8yA:
24.7		 1mxdA-2e8yA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		8 TYR A  64
HIS A 104
PHE A 164
ARG A 198
ASP A 200
GLU A 254
HIS A 326
ASP A 327
 None
 0.95A 1mxdA-2pwhA:
22.9		 1mxdA-2pwhA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		9 TRP A  10
TYR A  52
HIS A  93
ARG A 178
ASP A 180
GLU A 205
TRP A 207
HIS A 290
ASP A 291
 None
 0.39A 1mxdA-2qpsA:
40.6		 1mxdA-2qpsA:
29.63
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		9 TRP A  10
TYR A  52
HIS A  93
PHE A 144
ARG A 178
ASP A 180
GLU A 205
HIS A 290
ASP A 291
 None
 0.66A 1mxdA-2qpsA:
40.6		 1mxdA-2qpsA:
29.63
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		7 TYR A 244
HIS A 291
ARG A 361
ASP A 363
GLU A 399
HIS A 470
ASP A 471
 A16  A1722 (-3.6A)
A16  A1722 (-3.7A)
A16  A1722 ( 3.6A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
A16  A1722 (-4.0A)
A16  A1722 (-3.4A)
 0.62A 1mxdA-2vr5A:
17.3		 1mxdA-2vr5A:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		7 TYR A 509
HIS A 556
ARG A 620
ASP A 622
GLU A 651
HIS A 735
ASP A 736
 None
CSX  A 588 ( 4.0A)
None
None
None
None
None
 0.50A 1mxdA-2wanA:
25.5		 1mxdA-2wanA:
19.24
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		7 TYR A 667
HIS A 715
ARG A 776
ASP A 778
GLU A 807
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
BGC  A2144 (-4.2A)
None
BGC  A2144 (-2.8A)
GLC  A2150 ( 4.5A)
None
GLC  A2150 ( 4.3A)
 0.58A 1mxdA-2ya1A:
19.0		 1mxdA-2ya1A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		8 TYR A 212
HIS A 260
PHE A 288
ARG A 321
ASP A 323
GLU A 352
HIS A 439
ASP A 440
 NOJ  A1689 ( 3.9A)
NOJ  A1689 (-4.5A)
NOJ  A1689 (-3.5A)
NOJ  A1689 (-3.5A)
NOJ  A1689 (-2.8A)
NOJ  A1689 (-3.0A)
NOJ  A1689 (-3.8A)
NOJ  A1689 (-2.9A)
 0.83A 1mxdA-2ya2A:
20.2		 1mxdA-2ya2A:
21.13
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		7 TYR A  81
HIS A 121
ARG A 200
ASP A 202
GLU A 232
HIS A 314
ASP A 315
 GLC  A 603 ( 4.0A)
GLC  A 603 (-4.2A)
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)
 0.33A 1mxdA-2z1kA:
28.7		 1mxdA-2z1kA:
24.14
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		7 TYR A  72
HIS A 112
PHE A 178
ARG A 213
ASP A 215
HIS A 351
ASP A 352
 GLC  A 601 (-3.7A)
GLC  A 601 (-4.0A)
GLC  A 601 (-3.4A)
GLC  A 601 (-3.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
 0.98A 1mxdA-3axiA:
20.6		 1mxdA-3axiA:
23.98
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		10 TRP A 131
TYR A 184
HIS A 233
ARG A 348
ASP A 350
LYS A 353
GLU A 380
TRP A 382
HIS A 446
ASP A 447
 None
ACI  A 806 ( 4.0A)
ACI  A 806 (-4.4A)
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLC  A 808 (-2.9A)
GLD  A 807 ( 2.8A)
GLC  A 808 (-3.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.43A 1mxdA-3bc9A:
39.8		 1mxdA-3bc9A:
28.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		8 TYR A 101
HIS A 141
ARG A 228
ASP A 230
LYS A 233
GLU A 258
HIS A 328
ASP A 329
 ACI  A 694 ( 4.0A)
ACI  A 694 (-3.9A)
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.35A 1mxdA-3bmwA:
30.5		 1mxdA-3bmwA:
23.12
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		7 TYR A  67
HIS A 107
ARG A 169
ASP A 171
GLU A 200
HIS A 276
ASP A 277
 None
 0.43A 1mxdA-3dhuA:
28.0		 1mxdA-3dhuA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		7 TYR A 691
HIS A 739
PHE A 767
ARG A 800
ASP A 802
GLU A 831
HIS A 918
 None
 0.99A 1mxdA-3fawA:
18.5		 1mxdA-3fawA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		8 TYR A  78
HIS A 118
PHE A 178
ARG A 212
ASP A 214
GLU A 268
HIS A 341
ASP A 342
 EDO  A8003 ( 4.4A)
EDO  A8003 (-4.8A)
EDO  A8003 ( 3.9A)
None
EDO  A8003 ( 2.7A)
EDO  A8001 (-3.1A)
None
EDO  A8002 ( 3.5A)
 0.98A 1mxdA-3gbdA:
22.3		 1mxdA-3gbdA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		8 TYR A  48
HIS A  88
PHE A 187
ARG A 220
ASP A 222
GLU A 249
HIS A 440
ASP A 441
 GOL  A 802 ( 4.3A)
GOL  A 802 (-3.9A)
GOL  A 802 (-3.7A)
None
GOL  A 802 (-2.8A)
GOL  A 804 (-3.8A)
None
GOL  A 802 ( 3.7A)
 0.64A 1mxdA-3hjeA:
19.5		 1mxdA-3hjeA:
18.77
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		8 TYR A 114
HIS A 154
ARG A 386
ASP A 388
LYS A 391
GLU A 431
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
None
ACT  A 961 (-2.8A)
None
ACT  A 961 ( 4.3A)
None
EDO  A 901 (-4.4A)
 0.43A 1mxdA-3k8kA:
26.8		 1mxdA-3k8kA:
22.56
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		7 TYR A 114
HIS A 154
PHE A 345
ARG A 386
ASP A 388
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
ACT  A 961 ( 4.2A)
None
ACT  A 961 (-2.8A)
None
EDO  A 901 (-4.4A)
 1.04A 1mxdA-3k8kA:
26.8		 1mxdA-3k8kA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		12 TRP A  18
TYR A  62
HIS A 111
PHE A 159
ARG A 196
ASP A 198
TYR A 199
LYS A 201
GLU A 222
TRP A 224
HIS A 288
ASP A 289
 None
TRS  A 505 (-4.0A)
None
TRS  A 505 (-4.4A)
TRS  A 505 (-3.0A)
TRS  A 505 (-2.7A)
TRS  A 505 (-4.7A)
None
TRS  A 505 (-2.7A)
None
TRS  A 505 (-4.2A)
TRS  A 505 (-3.0A)
 0.43A 1mxdA-3qgvA:
65.1		 1mxdA-3qgvA:
86.67
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		8 TYR A 140
HIS A 180
PHE A 248
ARG A 282
ASP A 284
GLU A 326
HIS A 395
ASP A 396
 GOL  A 720 (-4.0A)
GOL  A 720 (-3.8A)
GOL  A 720 (-4.2A)
GOL  A 721 (-3.4A)
GOL  A 720 (-3.0A)
TRS  A 700 (-4.2A)
GOL  A 721 (-4.6A)
TRS  A 700 (-3.1A)
 1.04A 1mxdA-3ucqA:
24.0		 1mxdA-3ucqA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  58
TYR A  62
HIS A 101
ARG A 195
ASP A 197
LYS A 200
GLU A 233
HIS A 299
ASP A 300
 None
None
None
CL  A 507 (-3.9A)
None
None
None
None
None
 0.74A 1mxdA-3vm5A:
28.8		 1mxdA-3vm5A:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		8 TYR A 102
HIS A 142
ARG A 223
ASP A 225
LYS A 228
GLU A 249
HIS A 315
ASP A 316
 None
None
None
GLC  A 503 (-3.5A)
GLC  A 503 ( 4.4A)
GLC  A 503 (-2.6A)
None
GLC  A 503 (-3.0A)
 0.40A 1mxdA-3vm7A:
31.7		 1mxdA-3vm7A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		7 TYR A 299
HIS A 347
ARG A 411
ASP A 413
GLU A 442
HIS A 525
ASP A 526
 MTT  A 802 (-4.0A)
MTT  A 802 (-4.4A)
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)
 0.48A 1mxdA-3wdjA:
24.0		 1mxdA-3wdjA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		10 TRP A  34
TYR A  76
HIS A 117
ARG A 201
ASP A 203
LYS A 206
GLU A 228
TRP A 230
HIS A 313
ASP A 314
 None
GOL  A 505 (-3.9A)
None
None
GOL  A 505 (-3.4A)
None
None
None
GOL  A 505 (-4.3A)
GOL  A 505 (-2.9A)
 0.37A 1mxdA-3wn6A:
40.8		 1mxdA-3wn6A:
27.81
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
HIS A 105
ARG A 200
ASP A 202
GLU A 271
HIS A 332
ASP A 333
 BGC  A 605 (-3.7A)
BGC  A 605 (-3.9A)
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)
 0.34A 1mxdA-3wy2A:
22.6		 1mxdA-3wy2A:
24.06
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		7 TYR A  65
HIS A 105
PHE A 166
ARG A 200
ASP A 202
HIS A 332
ASP A 333
 BGC  A 605 (-3.7A)
BGC  A 605 (-3.9A)
BGC  A 605 ( 3.8A)
BGC  A 605 (-3.0A)
BGC  A 605 (-2.4A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
 0.94A 1mxdA-3wy2A:
22.6		 1mxdA-3wy2A:
24.06
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		7 TYR A 296
HIS A 336
ARG A 440
ASP A 442
GLU A 471
HIS A 535
ASP A 536
 None
 0.44A 1mxdA-4aeeA:
26.7		 1mxdA-4aeeA:
21.01
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		7 TYR A 296
HIS A 336
PHE A 404
ARG A 440
ASP A 442
HIS A 535
ASP A 536
 None
 0.66A 1mxdA-4aeeA:
26.7		 1mxdA-4aeeA:
21.01
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		8 TYR A 270
HIS A 310
PHE A 373
ARG A 409
ASP A 411
GLU A 437
HIS A 501
ASP A 502
 None
 0.81A 1mxdA-4aefA:
30.1		 1mxdA-4aefA:
20.75
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		8 TYR A  62
HIS A 102
PHE A 162
ARG A 196
ASP A 198
GLU A 240
HIS A 315
ASP A 316
 GOL  A1542 (-3.6A)
GOL  A1542 (-3.0A)
GOL  A1542 (-3.2A)
GOL  A1542 ( 4.4A)
GOL  A1542 (-2.7A)
GOL  A1542 ( 3.6A)
None
GOL  A1548 (-3.5A)
 0.96A 1mxdA-4aieA:
24.2		 1mxdA-4aieA:
24.77
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A 100
HIS A 140
ARG A 227
ASP A 229
LYS A 232
GLU A 257
ASP A 328
 None
 0.75A 1mxdA-4cgtA:
30.5		 1mxdA-4cgtA:
23.06
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A 100
HIS A 140
ARG A 227
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 None
 0.77A 1mxdA-4cgtA:
30.5		 1mxdA-4cgtA:
23.06
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		8 TYR A 104
HIS A 144
ARG A 215
ASP A 217
GLU A 246
TRP A 248
HIS A 313
ASP A 314
 ACI  A 505 (-4.1A)
ACI  A 505 (-3.9A)
ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
BGC  A 507 (-3.8A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.28A 1mxdA-4e2oA:
32.9		 1mxdA-4e2oA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A 105
HIS A 145
PHE A 205
ARG A 239
GLU A 295
HIS A 368
ASP A 369
 GLC  A 703 (-3.5A)
GLC  A 703 (-4.3A)
GLC  A 703 (-3.7A)
GLC  A 703 (-2.9A)
GLC  A 703 ( 2.8A)
GLC  A 703 (-4.0A)
GLC  A 703 ( 2.8A)
 1.00A 1mxdA-4hozA:
22.6		 1mxdA-4hozA:
23.53
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		7 TYR A 100
HIS A 140
ARG A 227
ASP A 229
LYS A 232
HIS A 328
ASP A 329
 GOL  A 711 ( 4.0A)
GOL  A 711 (-4.0A)
EDO  A 718 ( 4.8A)
GOL  A 711 (-2.8A)
None
EDO  A 718 ( 3.9A)
None
 0.70A 1mxdA-4jclA:
30.4		 1mxdA-4jclA:
23.23
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A  62
HIS A 102
ARG A 197
ASP A 199
GLU A 255
HIS A 331
ASP A 332
 TRS  A 601 (-3.6A)
TRS  A 601 (-4.0A)
TRS  A 601 ( 4.8A)
TRS  A 601 (-2.7A)
TRS  A 601 ( 2.7A)
None
GOL  A 602 (-2.8A)
 0.39A 1mxdA-4m8uA:
22.9		 1mxdA-4m8uA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A  62
HIS A 102
PHE A 163
ARG A 197
ASP A 199
HIS A 331
ASP A 332
 TRS  A 601 (-3.6A)
TRS  A 601 (-4.0A)
TRS  A 601 ( 3.9A)
TRS  A 601 ( 4.8A)
TRS  A 601 (-2.7A)
None
GOL  A 602 (-2.8A)
 1.04A 1mxdA-4m8uA:
22.9		 1mxdA-4m8uA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		7 TYR A 331
HIS A 382
ARG A 450
ASP A 452
GLU A 527
HIS A 619
ASP A 620
 GLC  A1001 ( 3.8A)
GLC  A1001 (-4.4A)
GLC  A1001 (-3.3A)
GLC  A1001 (-2.0A)
GLC  A1001 (-3.2A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.58A 1mxdA-4okdA:
21.5		 1mxdA-4okdA:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 TRP A  14
TYR A  57
ARG A 230
ASP A 232
GLU A 262
TRP A 264
HIS A 328
ASP A 329
 None
None
NA  A1490 ( 4.1A)
NA  A1490 (-2.9A)
NA  A1490 (-2.7A)
None
None
NA  A1490 ( 4.5A)
 0.91A 1mxdA-4uzuA:
39.5		 1mxdA-4uzuA:
30.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 TRP A  14
TYR A  57
HIS A 106
ARG A 230
ASP A 232
GLU A 262
HIS A 328
ASP A 329
 None
None
None
NA  A1490 ( 4.1A)
NA  A1490 (-2.9A)
NA  A1490 (-2.7A)
None
NA  A1490 ( 4.5A)
 0.36A 1mxdA-4uzuA:
39.5		 1mxdA-4uzuA:
30.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 TYR A  57
ARG A 230
ASP A 232
LYS A 235
GLU A 262
TRP A 264
HIS A 328
ASP A 329
 None
NA  A1490 ( 4.1A)
NA  A1490 (-2.9A)
None
NA  A1490 (-2.7A)
None
None
NA  A1490 ( 4.5A)
 1.00A 1mxdA-4uzuA:
39.5		 1mxdA-4uzuA:
30.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 TYR A  57
HIS A 106
ARG A 230
ASP A 232
LYS A 235
GLU A 262
HIS A 328
ASP A 329
 None
None
NA  A1490 ( 4.1A)
NA  A1490 (-2.9A)
None
NA  A1490 (-2.7A)
None
NA  A1490 ( 4.5A)
 0.51A 1mxdA-4uzuA:
39.5		 1mxdA-4uzuA:
30.10
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		7 TYR A  63
HIS A 103
PHE A 158
ARG A 192
ASP A 194
HIS A 312
ASP A 313
 None
 0.96A 1mxdA-4xb3A:
24.5		 1mxdA-4xb3A:
24.11
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		8 TYR A 100
ARG A 211
ASP A 213
LYS A 216
GLU A 242
TRP A 244
HIS A 309
ASP A 310
 ACT  A1479 (-3.9A)
ACT  A1479 ( 4.9A)
ACT  A1479 (-2.6A)
None
ACT  A1479 ( 4.5A)
None
None
ACT  A1479 ( 4.9A)
 0.71A 1mxdA-5a2aA:
32.4		 1mxdA-5a2aA:
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		8 TYR A 100
HIS A 140
ARG A 211
ASP A 213
LYS A 216
GLU A 242
HIS A 309
ASP A 310
 ACT  A1479 (-3.9A)
ACT  A1479 (-4.4A)
ACT  A1479 ( 4.9A)
ACT  A1479 (-2.6A)
None
ACT  A1479 ( 4.5A)
None
ACT  A1479 ( 4.9A)
 0.41A 1mxdA-5a2aA:
32.4		 1mxdA-5a2aA:
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		7 TYR A  89
HIS A 129
ARG A 176
ASP A 178
TRP A 223
HIS A 296
ASP A 297
 MLR  A 701 (-4.0A)
MLR  A 701 (-4.2A)
MLR  A 701 (-3.7A)
MLR  A 701 (-3.0A)
None
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
 0.35A 1mxdA-5h05A:
26.8		 1mxdA-5h05A:
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		8 TYR B  83
HIS B 123
ARG B 211
ASP B 213
LYS B 216
GLU B 253
HIS B 304
ASP B 305
 K  B 605 ( 3.2A)
EDO  B 616 (-4.3A)
K  B 605 ( 4.8A)
EDO  B 616 ( 2.8A)
None
K  B 605 ( 4.7A)
None
K  B 605 ( 4.7A)
 0.37A 1mxdA-5m99B:
25.5		 1mxdA-5m99B:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		8 TYR B  83
HIS B 123
PHE B 177
ARG B 211
ASP B 213
GLU B 253
HIS B 304
ASP B 305
 K  B 605 ( 3.2A)
EDO  B 616 (-4.3A)
EDO  B 616 ( 3.8A)
K  B 605 ( 4.8A)
EDO  B 616 ( 2.8A)
K  B 605 ( 4.7A)
None
K  B 605 ( 4.7A)
 0.99A 1mxdA-5m99B:
25.5		 1mxdA-5m99B:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 7 TYR A 147
HIS A 187
ARG A 284
ASP A 286
GLU A 328
HIS A 392
ASP A 393
 TRS  A 701 (-3.5A)
TRS  A 701 (-3.9A)
TRS  A 701 ( 4.6A)
TRS  A 701 (-2.8A)
TRS  A 701 (-2.8A)
None
TRS  A 701 ( 4.6A)
 0.46A 1mxdA-5n6vA:
20.7		 1mxdA-5n6vA:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 7 TYR A 147
HIS A 187
PHE A 250
ARG A 284
ASP A 286
HIS A 392
ASP A 393
 TRS  A 701 (-3.5A)
TRS  A 701 (-3.9A)
TRS  A 701 (-3.9A)
TRS  A 701 ( 4.6A)
TRS  A 701 (-2.8A)
None
TRS  A 701 ( 4.6A)
 1.08A 1mxdA-5n6vA:
20.7		 1mxdA-5n6vA:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 7 TYR A 383
HIS A 423
ARG A 501
ASP A 503
GLU A 534
HIS A 600
ASP A 601
 None
 0.40A 1mxdA-5ot1A:
26.2		 1mxdA-5ot1A:
10.11
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 7 TYR A 259
HIS A 307
ARG A 371
ASP A 373
GLU A 402
HIS A 492
ASP A 493
 None
None
None
None
GLC  A 701 ( 4.8A)
None
GLC  A 701 ( 4.6A)
 0.48A 1mxdA-5ww1A:
3.9		 1mxdA-5ww1A:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 7 TYR A  65
HIS A 105
ARG A 200
ASP A 202
GLU A 244
HIS A 309
ASP A 310
 TRS  A 600 (-3.5A)
TRS  A 600 (-3.9A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
TRS  A 600 (-2.7A)
None
TRS  A 600 ( 4.7A)
 0.39A 1mxdA-5x7uA:
24.0		 1mxdA-5x7uA:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 7 TYR A  65
HIS A 105
PHE A 166
ARG A 200
ASP A 202
HIS A 309
ASP A 310
 TRS  A 600 (-3.5A)
TRS  A 600 (-3.9A)
TRS  A 600 (-3.8A)
TRS  A 600 ( 4.8A)
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
 1.05A 1mxdA-5x7uA:
24.0		 1mxdA-5x7uA:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 7 TYR A 223
HIS A 267
ARG A 354
ASP A 356
GLU A 396
HIS A 471
ASP A 472
 None
 0.38A 1mxdA-5z0uA:
26.9		 1mxdA-5z0uA:
10.37