SIMILAR PATTERNS OF AMINO ACIDS FOR 6AG0_A_ACRA610_0

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) 		7 TRP A   9
TYR A  51
HIS A  92
ASP A 179
LYS A 182
HIS A 288
ASP A 289
 None
 0.64A 6ag0A-1amyA:
36.0		 6ag0A-1amyA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 TYR A  51
HIS A  92
GLU A 227
ASP A 179
HIS A 288
ASP A 289
 None
 1.34A 6ag0A-1amyA:
36.0		 6ag0A-1amyA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 250
HIS A 297
ASP A 375
HIS A 509
ASP A 510
 None
 0.53A 6ag0A-1bf2A:
15.7		 6ag0A-1bf2A:
7.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE
ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis;
Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 TRP A  13
TYR A  56
HIS A 105
ASP B 231
LYS B 234
HIS B 235
HIS B 327
ASP B 328
 None
 0.47A 6ag0A-1bplA:
19.3		 6ag0A-1bplA:
31.43
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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  96
HIS A 136
LEU A 190
ASP A 225
HIS A 229
HIS A 323
ASP A 324
 None
 0.78A 6ag0A-1cygA:
26.9		 6ag0A-1cygA:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
LEU A 194
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-2.9A)
QPS  A1001 ( 4.3A)
QPS  A1001 (-3.2A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.93A 6ag0A-1dedA:
25.9		 6ag0A-1dedA:
9.06
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		11 TRP A  11
TYR A  54
HIS A 103
GLU A 189
TYR A 193
LEU A 196
MET A 197
ASP A 231
HIS A 235
HIS A 327
ASP A 328
 None
 0.65A 6ag0A-1e43A:
59.0		 6ag0A-1e43A:
11.73
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		11 TRP A  11
TYR A  54
HIS A 103
TYR A 193
LEU A 196
MET A 197
ASP A 231
LYS A 234
HIS A 235
HIS A 327
ASP A 328
 None
 0.26A 6ag0A-1e43A:
59.0		 6ag0A-1e43A:
11.73
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.
1gcy GLUCAN
1,4-ALPHA-MALTOTETRA
HYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		6 TRP A  25
TYR A  78
HIS A 117
GLU A 226
ASP A 193
HIS A 293
 None
 0.60A 6ag0A-1gcyA:
32.7		 6ag0A-1gcyA:
9.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 TYR A 183
HIS A 223
ASP A 311
HIS A 417
ASP A 418
 None
 0.39A 6ag0A-1h3gA:
21.9		 6ag0A-1h3gA:
8.66
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 TYR A  50
HIS A  90
ASP A 228
HIS A 442
ASP A 443
 None
 0.50A 6ag0A-1iv8A:
20.8		 6ag0A-1iv8A:
7.36
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		6 TYR A 207
HIS A 247
MET A 295
ASP A 328
HIS A 423
ASP A 424
 None
 1.16A 6ag0A-1j0hA:
24.5		 6ag0A-1j0hA:
9.67
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TRP A  56
TYR A  60
HIS A  99
GLU A 229
ASP A 185
HIS A 189
HIS A 286
ASP A 287
 None
 1.09A 6ag0A-1jaeA:
29.4		 6ag0A-1jaeA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  56
TYR A  60
HIS A  99
LEU A 150
ASP A 185
LYS A 188
HIS A 189
HIS A 286
ASP A 287
 None
 0.70A 6ag0A-1jaeA:
29.4		 6ag0A-1jaeA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  56
TYR A  60
LEU A 153
ASP A 185
HIS A 286
ASP A 287
 None
 1.40A 6ag0A-1jaeA:
29.4		 6ag0A-1jaeA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TRP A  58
TYR A  62
GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
 1.14A 6ag0A-1jxkA:
26.6		 6ag0A-1jxkA:
9.37
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 TRP A  58
TYR A  62
GLU A 240
TYR A 151
LYS A 200
HIS A 299
ASP A 300
 None
 1.39A 6ag0A-1jxkA:
26.6		 6ag0A-1jxkA:
9.37
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  58
TYR A  62
HIS A 101
LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
 0.83A 6ag0A-1jxkA:
26.6		 6ag0A-1jxkA:
9.37
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.
1jxk ALPHA-AMYLASE,
SALIVARY

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  58
TYR A  62
LEU A 165
ASP A 197
HIS A 299
ASP A 300
 None
 1.39A 6ag0A-1jxkA:
26.6		 6ag0A-1jxkA:
9.37
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A 100
HIS A 140
LEU A 194
ASP A 229
HIS A 233
HIS A 327
ASP A 328
 GLC  A1695 ( 3.1A)
GLC  A1695 (-3.8A)
None
GLC  A1695 (-3.2A)
GLC  A1694 ( 4.0A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.60A 6ag0A-1kclA:
28.5		 6ag0A-1kclA:
8.16
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 TRP A  46
TYR A  50
HIS A  89
GLU A 207
HIS A 178
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
ACR  A 598 (-3.8A)
None
None
None
ACR  A 598 (-3.1A)
 1.28A 6ag0A-1kxhA:
28.6		 6ag0A-1kxhA:
12.36
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TRP A  46
TYR A  50
HIS A  89
LEU A 139
LYS A 177
HIS A 178
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
ACR  A 598 (-3.8A)
None
None
None
None
ACR  A 598 (-3.1A)
 0.80A 6ag0A-1kxhA:
28.6		 6ag0A-1kxhA:
12.36
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  46
TYR A  50
TYR A 127
LYS A 177
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
None
None
None
ACR  A 598 (-3.1A)
 1.03A 6ag0A-1kxhA:
28.6		 6ag0A-1kxhA:
12.36
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		5 TYR A  54
HIS A  94
ASP A 186
HIS A 277
ASP A 278
 None
 0.46A 6ag0A-1lwhA:
23.6		 6ag0A-1lwhA:
10.63
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 TYR A 105
HIS A 145
ASP A 241
HIS A 368
ASP A 369
 None
 0.43A 6ag0A-1m53A:
19.5		 6ag0A-1m53A:
8.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TRP A  18
TYR A  62
HIS A 111
ASP A 198
LYS A 201
HIS A 288
ASP A 289
 None
None
None
ZN  A 441 ( 4.2A)
None
None
ZN  A 441 (-4.0A)
 0.61A 6ag0A-1mwoA:
39.6		 6ag0A-1mwoA:
11.63
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.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  58
TYR A  62
GLU A 240
TYR A 151
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
BGC  A 993 ( 3.3A)
BGC  A 993 (-4.2A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 1.30A 6ag0A-1oseA:
26.7		 6ag0A-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  58
TYR A  62
HIS A 101
GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
AC1  A 992 ( 3.7A)
BGC  A 993 ( 3.3A)
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 1.09A 6ag0A-1oseA:
26.7		 6ag0A-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ose PORCINE
ALPHA-AMYLASE

(Sus scrofa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		9 TRP A  58
TYR A  62
HIS A 101
LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
AC1  A 992 ( 3.6A)
AC1  A 992 ( 3.7A)
None
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
AC1  A 992 (-3.0A)
 0.78A 6ag0A-1oseA:
26.7		 6ag0A-1oseA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		7 TYR A  92
HIS A 132
ASP A 228
LYS A 231
HIS A 232
HIS A 328
ASP A 329
 ABD  A1200 (-3.8A)
ABD  A1200 (-3.9A)
ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 ( 3.8A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.43A 6ag0A-1qhoA:
28.3		 6ag0A-1qhoA:
8.16
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.
1sma MALTOGENIC AMYLASE

(Thermus sp.
IM6501) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		6 TYR A 207
HIS A 247
MET A 295
ASP A 328
HIS A 423
ASP A 424
 None
 1.28A 6ag0A-1smaA:
24.9		 6ag0A-1smaA:
8.55
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		9 TRP A  58
TYR A  62
HIS A 102
LEU A 141
ASP A 176
LYS A 179
HIS A 180
HIS A 268
ASP A 269
 None
ACI  A 504 ( 3.7A)
ACI  A 504 (-4.0A)
G6D  A 505 ( 4.7A)
ACI  A 504 (-3.0A)
BGC  A 506 (-2.7A)
G6D  A 505 ( 3.7A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.76A 6ag0A-1ua7A:
28.6		 6ag0A-1ua7A:
11.81
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		6 TRP A  58
TYR A  62
LEU A 144
ASP A 176
HIS A 268
ASP A 269
 None
ACI  A 504 ( 3.7A)
GLD  A 502 ( 4.8A)
ACI  A 504 (-3.0A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 1.39A 6ag0A-1ua7A:
28.6		 6ag0A-1ua7A:
11.81
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		11 TRP A  13
TYR A  56
HIS A 105
GLU A 189
TYR A 193
LEU A 196
ASP A 231
LYS A 234
HIS A 235
HIS A 327
ASP A 328
 None
 0.33A 6ag0A-1ud3A:
63.5		 6ag0A-1ud3A:
11.88
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TYR A  56
LEU A 197
ASP A 231
HIS A 327
ASP A 328
 None
 0.88A 6ag0A-1ud3A:
63.5		 6ag0A-1ud3A:
11.88
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 TYR A  63
HIS A 103
ASP A 199
HIS A 328
ASP A 329
 None
 0.43A 6ag0A-1uokA:
19.5		 6ag0A-1uokA:
9.13
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TRP A  13
TYR A  56
HIS A 105
ASP A 231
LYS A 234
HIS A 327
ASP A 328
 None
 0.49A 6ag0A-1vjsA:
55.5		 6ag0A-1vjsA:
6.92
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) 		12 TRP A  15
TYR A  58
HIS A 107
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333
 None
AC1  A1492 ( 3.9A)
AC1  A1492 (-4.3A)
GLC  A1491 (-2.9A)
GLC  A1491 ( 4.7A)
AC1  A1492 ( 4.9A)
GLC  A1493 (-3.5A)
AC1  A1492 (-3.0A)
GLC  A1491 (-2.5A)
AC1  A1492 ( 3.9A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.32A 6ag0A-1w9xA:
64.2		 6ag0A-1w9xA:
32.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 TYR A  82
HIS A 122
ASP A 206
HIS A 296
ASP A 297
 None
None
CA  A 486 (-3.0A)
None
CA  A 486 ( 4.6A)
 0.51A 6ag0A-2aaaA:
26.5		 6ag0A-2aaaA:
12.16
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		6 TRP A  25
TYR A  78
HIS A 117
GLU A 226
ASP A 193
HIS A 293
 None
 0.63A 6ag0A-2amgA:
32.8		 6ag0A-2amgA:
11.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		6 TYR A 177
HIS A 217
GLU A 376
ASP A 275
HIS A 399
ASP A 400
 None
None
GLC  A1605 (-2.8A)
None
None
None
 0.87A 6ag0A-2bxyA:
25.2		 6ag0A-2bxyA:
8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		12 TRP A  15
TYR A  58
HIS A 107
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333
 None
GLC  A 605 (-4.8A)
None
None
None
None
GLC  A 605 ( 3.5A)
None
None
None
None
GLC  A 605 (-3.5A)
 0.37A 6ag0A-2d3lA:
59.6		 6ag0A-2d3lA:
9.55
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) 		12 TRP A  15
TYR A  58
HIS A 107
GLU A 194
TYR A 198
LEU A 201
MET A 202
ASP A 236
LYS A 239
HIS A 240
HIS A 332
ASP A 333
 None
 0.53A 6ag0A-2dieA:
64.2		 6ag0A-2dieA:
32.11
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 292
HIS A 340
ASP A 406
HIS A 524
ASP A 525
 None
 0.53A 6ag0A-2e8yA:
24.5		 6ag0A-2e8yA:
7.80
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 TYR A  64
HIS A 104
ASP A 200
HIS A 326
ASP A 327
 None
 0.47A 6ag0A-2pwhA:
19.8		 6ag0A-2pwhA:
11.06
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 TRP A  10
TYR A  52
HIS A  93
ASP A 180
HIS A 290
ASP A 291
 None
 0.50A 6ag0A-2qpsA:
36.2		 6ag0A-2qpsA:
12.43
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX

(Sulfolobus
solfataricus) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 TYR A 244
HIS A 291
ASP A 363
HIS A 470
ASP A 471
 A16  A1722 (-3.6A)
A16  A1722 (-3.7A)
A16  A1722 (-1.8A)
A16  A1722 (-4.0A)
A16  A1722 (-3.4A)
 0.56A 6ag0A-2vr5A:
15.2		 6ag0A-2vr5A:
8.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 509
HIS A 556
ASP A 622
HIS A 735
ASP A 736
 None
CSX  A 588 ( 4.0A)
None
None
None
 0.52A 6ag0A-2wanA:
24.3		 6ag0A-2wanA:
7.81
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		5 TYR A 667
HIS A 715
ASP A 778
HIS A 894
ASP A 895
 BGC  A2144 (-4.5A)
BGC  A2144 (-4.2A)
BGC  A2144 (-2.8A)
None
GLC  A2150 ( 4.3A)
 0.51A 6ag0A-2ya1A:
18.2		 6ag0A-2ya1A:
6.33
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 212
HIS A 260
ASP A 323
HIS A 439
ASP A 440
 NOJ  A1689 ( 3.9A)
NOJ  A1689 (-4.5A)
NOJ  A1689 (-2.8A)
NOJ  A1689 (-3.8A)
NOJ  A1689 (-2.9A)
 0.52A 6ag0A-2ya2A:
17.2		 6ag0A-2ya2A:
8.40
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 TYR A  81
HIS A 121
ASP A 202
HIS A 314
ASP A 315
 GLC  A 603 ( 4.0A)
GLC  A 603 (-4.2A)
GLC  A 603 (-2.6A)
GLC  A 603 (-4.0A)
GLC  A 603 ( 2.9A)
 0.49A 6ag0A-2z1kA:
26.1		 6ag0A-2z1kA:
8.86
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		6 TYR A 916
TYR A 430
LEU A 433
ASP A 477
HIS A 587
ASP A 588
 None
 0.75A 6ag0A-3aibA:
11.7		 6ag0A-3aibA:
7.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		5 TYR A  72
HIS A 112
ASP A 215
HIS A 351
ASP A 352
 GLC  A 601 (-3.7A)
GLC  A 601 (-4.0A)
GLC  A 601 (-2.9A)
GLC  A 601 (-3.9A)
GLC  A 601 (-2.8A)
 0.48A 6ag0A-3axiA:
18.1		 6ag0A-3axiA:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		10 TRP A 131
TYR A 184
HIS A 233
LEU A 315
MET A 316
ASP A 350
LYS A 353
HIS A 354
HIS A 446
ASP A 447
 None
ACI  A 806 ( 4.0A)
ACI  A 806 (-4.4A)
None
GLC  A 805 (-3.7A)
ACI  A 806 (-3.1A)
GLC  A 808 (-2.9A)
GLD  A 807 ( 3.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.43A 6ag0A-3bc9A:
48.4		 6ag0A-3bc9A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		8 TYR A 101
HIS A 141
LEU A 195
ASP A 230
LYS A 233
HIS A 234
HIS A 328
ASP A 329
 ACI  A 694 ( 4.0A)
ACI  A 694 (-3.9A)
None
ACI  A 694 (-3.2A)
GLC  A 692 ( 2.8A)
G6D  A 693 ( 3.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.52A 6ag0A-3bmwA:
28.1		 6ag0A-3bmwA:
7.13
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		5 TYR A  67
HIS A 107
ASP A 171
HIS A 276
ASP A 277
 None
 0.44A 6ag0A-3dhuA:
24.7		 6ag0A-3dhuA:
12.03
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 TYR A  78
HIS A 118
ASP A 214
HIS A 341
ASP A 342
 EDO  A8003 ( 4.4A)
EDO  A8003 (-4.8A)
EDO  A8003 ( 2.7A)
None
EDO  A8002 ( 3.5A)
 0.42A 6ag0A-3gbdA:
19.5		 6ag0A-3gbdA:
11.43
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.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 TYR A  48
HIS A  88
ASP A 222
HIS A 440
ASP A 441
 GOL  A 802 ( 4.3A)
GOL  A 802 (-3.9A)
GOL  A 802 (-2.8A)
None
GOL  A 802 ( 3.7A)
 0.61A 6ag0A-3hjeA:
16.1		 6ag0A-3hjeA:
7.67
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		7 TYR A 114
HIS A 154
ASP A 388
LYS A 391
HIS A 392
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
ACT  A 961 (-2.8A)
None
None
None
EDO  A 901 (-4.4A)
 0.54A 6ag0A-3k8kA:
25.4		 6ag0A-3k8kA:
8.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		6 TYR A 114
HIS A 154
GLU A 397
HIS A 392
HIS A 497
ASP A 498
 ACT  A 961 ( 4.4A)
ACT  A 961 (-4.8A)
None
None
None
EDO  A 901 (-4.4A)
 1.44A 6ag0A-3k8kA:
25.4		 6ag0A-3k8kA:
8.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 TRP A  18
TYR A  62
HIS A 111
ASP A 198
HIS A 288
ASP A 289
 None
TRS  A 505 (-4.0A)
None
TRS  A 505 (-2.7A)
TRS  A 505 (-4.2A)
TRS  A 505 (-3.0A)
 0.47A 6ag0A-3qgvA:
39.7		 6ag0A-3qgvA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		5 TYR A 140
HIS A 180
ASP A 284
HIS A 395
ASP A 396
 GOL  A 720 (-4.0A)
GOL  A 720 (-3.8A)
GOL  A 720 (-3.0A)
GOL  A 721 (-4.6A)
TRS  A 700 (-3.1A)
 0.51A 6ag0A-3ucqA:
20.6		 6ag0A-3ucqA:
8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		6 TRP A  58
TYR A  62
GLU A 240
ASP A 197
HIS A 299
ASP A 300
 None
 1.11A 6ag0A-3vm5A:
26.5		 6ag0A-3vm5A:
8.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		8 TRP A  58
TYR A  62
HIS A 101
LEU A 162
ASP A 197
HIS A 201
HIS A 299
ASP A 300
 None
 0.73A 6ag0A-3vm5A:
26.5		 6ag0A-3vm5A:
8.90
Potential target for repurposing, i.e. matched protein structure has less than 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
LEU A 185
ASP A 225
LYS A 228
HIS A 229
HIS A 315
ASP A 316
 None
None
None
GLC  A 503 (-3.5A)
GLC  A 503 ( 4.4A)
GLC  A 503 ( 4.0A)
None
GLC  A 503 (-3.0A)
 0.62A 6ag0A-3vm7A:
27.4		 6ag0A-3vm7A:
10.08
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 299
HIS A 347
ASP A 413
HIS A 525
ASP A 526
 MTT  A 802 (-4.0A)
MTT  A 802 (-4.4A)
MTT  A 802 (-2.8A)
MTT  A 802 (-3.9A)
MTT  A 802 (-2.9A)
 0.51A 6ag0A-3wdjA:
22.1		 6ag0A-3wdjA:
8.49
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 TRP A  34
TYR A  76
HIS A 117
ASP A 203
HIS A 313
ASP A 314
 None
GOL  A 505 (-3.9A)
None
GOL  A 505 (-3.4A)
GOL  A 505 (-4.3A)
GOL  A 505 (-2.9A)
 0.51A 6ag0A-3wn6A:
36.3		 6ag0A-3wn6A:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		6 TYR A  76
HIS A 117
GLU A 251
ASP A 203
HIS A 313
ASP A 314
 GOL  A 505 (-3.9A)
None
None
GOL  A 505 (-3.4A)
GOL  A 505 (-4.3A)
GOL  A 505 (-2.9A)
 1.33A 6ag0A-3wn6A:
36.3		 6ag0A-3wn6A:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		6 TYR A  65
HIS A 105
TYR A 235
ASP A 202
HIS A 332
ASP A 333
 BGC  A 605 (-3.7A)
BGC  A 605 (-3.9A)
None
BGC  A 605 (-2.4A)
BGC  A 605 (-3.9A)
BGC  A 605 (-2.9A)
 1.33A 6ag0A-3wy2A:
19.3		 6ag0A-3wy2A:
10.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		6 TYR A 296
HIS A 336
GLU A 474
ASP A 442
HIS A 535
ASP A 536
 None
 1.11A 6ag0A-4aeeA:
22.5		 6ag0A-4aeeA:
7.50
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		6 TYR A 296
HIS A 336
MET A 410
ASP A 442
HIS A 535
ASP A 536
 None
 1.29A 6ag0A-4aeeA:
22.5		 6ag0A-4aeeA:
7.50
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 TYR A 270
HIS A 310
ASP A 411
HIS A 501
ASP A 502
 None
 0.66A 6ag0A-4aefA:
24.4		 6ag0A-4aefA:
7.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 TYR A  62
HIS A 102
ASP A 198
HIS A 315
ASP A 316
 GOL  A1542 (-3.6A)
GOL  A1542 (-3.0A)
GOL  A1542 (-2.7A)
None
GOL  A1548 (-3.5A)
 0.44A 6ag0A-4aieA:
21.2		 6ag0A-4aieA:
9.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		5 TYR A 357
HIS A 404
ASP A 473
HIS A 477
HIS A 641
 GOL  A1888 (-3.9A)
GOL  A1888 (-4.1A)
GOL  A1888 (-3.0A)
None
None
 0.92A 6ag0A-4aioA:
16.0		 6ag0A-4aioA:
6.24
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 TYR A1470
LEU A 980
ASP A1024
HIS A1132
ASP A1133
 None
 0.79A 6ag0A-4amcA:
11.8		 6ag0A-4amcA:
7.22
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		5 TYR A1465
LEU A 981
ASP A1025
HIS A1135
ASP A1136
 GOL  A2773 ( 4.1A)
None
GOL  A2773 ( 2.9A)
None
GOL  A2791 (-4.3A)
 0.79A 6ag0A-4aygA:
11.6		 6ag0A-4aygA:
6.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		8 TYR A 100
HIS A 140
LEU A 194
ASP A 229
LYS A 232
HIS A 233
HIS A 327
ASP A 328
 None
 1.02A 6ag0A-4cgtA:
27.9		 6ag0A-4cgtA:
8.80
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		6 TYR A 104
HIS A 144
ASP A 217
HIS A 221
HIS A 313
ASP A 314
 ACI  A 505 (-4.1A)
ACI  A 505 (-3.9A)
ACI  A 505 (-3.1A)
G6D  A 506 ( 3.9A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.45A 6ag0A-4e2oA:
29.1		 6ag0A-4e2oA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		7 TYR A 100
HIS A 140
LEU A 194
ASP A 229
HIS A 233
HIS A 328
ASP A 329
 GOL  A 711 ( 4.0A)
GOL  A 711 (-4.0A)
None
GOL  A 711 (-2.8A)
None
EDO  A 718 ( 3.9A)
None
 0.77A 6ag0A-4jclA:
28.4		 6ag0A-4jclA:
9.09
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		7 TYR A 100
HIS A 140
LEU A 194
ASP A 229
LYS A 232
HIS A 233
HIS A 328
 GOL  A 711 ( 4.0A)
GOL  A 711 (-4.0A)
None
GOL  A 711 (-2.8A)
None
None
EDO  A 718 ( 3.9A)
 0.90A 6ag0A-4jclA:
28.4		 6ag0A-4jclA:
9.09
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 HIS A 137
LEU A 185
ASP A 220
HIS A 224
HIS A 317
 None
None
None
CL  A 716 ( 4.7A)
None
 0.50A 6ag0A-4jcmA:
27.1		 6ag0A-4jcmA:
8.09
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 TYR A  62
HIS A 102
ASP A 199
HIS A 331
ASP A 332
 TRS  A 601 (-3.6A)
TRS  A 601 (-4.0A)
TRS  A 601 (-2.7A)
None
GOL  A 602 (-2.8A)
 0.51A 6ag0A-4m8uA:
19.3		 6ag0A-4m8uA:
8.75
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.
4okd ISOAMYLASE

(Chlamydomonas
reinhardtii) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 331
HIS A 382
ASP A 452
HIS A 619
ASP A 620
 GLC  A1001 ( 3.8A)
GLC  A1001 (-4.4A)
GLC  A1001 (-2.0A)
GLC  A1001 (-4.0A)
GLC  A1001 (-2.7A)
 0.44A 6ag0A-4okdA:
18.6		 6ag0A-4okdA:
8.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 TYR A2650
LEU A2166
ASP A2210
HIS A2321
ASP A2322
 GOL  A3008 (-3.3A)
None
GOL  A3008 (-2.7A)
None
None
 0.71A 6ag0A-4tvcA:
11.2		 6ag0A-4tvcA:
5.93
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) 		12 TRP A  14
TYR A  57
HIS A 106
GLU A 190
TYR A 194
LEU A 197
MET A 198
ASP A 232
LYS A 235
HIS A 236
HIS A 328
ASP A 329
 None
None
None
None
None
None
None
NA  A1490 (-2.9A)
None
None
None
NA  A1490 ( 4.5A)
 0.31A 6ag0A-4uzuA:
67.2		 6ag0A-4uzuA:
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 TYR A  63
HIS A 103
ASP A 194
HIS A 312
ASP A 313
 None
 0.48A 6ag0A-4xb3A:
21.2		 6ag0A-4xb3A:
12.19
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		8 TYR A 100
HIS A 140
LEU A 177
ASP A 213
LYS A 216
HIS A 217
HIS A 309
ASP A 310
 ACT  A1479 (-3.9A)
ACT  A1479 (-4.4A)
None
ACT  A1479 (-2.6A)
None
None
None
ACT  A1479 ( 4.9A)
 0.55A 6ag0A-5a2aA:
29.1		 6ag0A-5a2aA:
11.08
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 TYR A  66
HIS A 106
ASP A 203
HIS A 328
ASP A 329
 None
 0.76A 6ag0A-5brqA:
18.8		 6ag0A-5brqA:
9.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 TYR A 193
HIS A 235
ASP A 535
HIS A 669
ASP A 670
 MTT  A2001 (-3.9A)
MTT  A2001 (-4.4A)
MTT  A2001 (-3.0A)
None
MTT  A2001 (-3.3A)
 0.64A 6ag0A-5d0fA:
10.9		 6ag0A-5d0fA:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 TYR B  64
HIS B 104
ASP B 197
HIS B 327
ASP B 328
 BGC  B 601 (-3.8A)
BGC  B 601 (-4.0A)
BGC  B 601 (-3.7A)
BGC  B 601 (-3.9A)
BGC  B 601 ( 2.8A)
 0.90A 6ag0A-5do8B:
18.5		 6ag0A-5do8B:
10.48
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		5 TYR A  89
HIS A 129
ASP A 178
HIS A 296
ASP A 297
 MLR  A 701 (-4.0A)
MLR  A 701 (-4.2A)
MLR  A 701 (-3.0A)
MLR  A 701 (-4.0A)
MLR  A 701 (-2.9A)
 0.55A 6ag0A-5h05A:
24.9		 6ag0A-5h05A:
7.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 TYR A1439
LEU A 971
ASP A1015
HIS A1124
ASP A1125
 GLC  A1711 ( 4.4A)
None
None
None
GLC  A1711 ( 3.2A)
 0.68A 6ag0A-5jbeA:
12.3		 6ag0A-5jbeA:
6.67
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.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		7 TYR B  83
HIS B 123
ASP B 213
LYS B 216
HIS B 217
HIS B 304
ASP B 305
 K  B 605 ( 3.2A)
EDO  B 616 (-4.3A)
EDO  B 616 ( 2.8A)
None
NA  B 604 ( 4.9A)
None
K  B 605 ( 4.7A)
 0.50A 6ag0A-5m99B:
22.1		 6ag0A-5m99B:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		6 TYR B  83
HIS B 123
MET B 181
ASP B 213
HIS B 304
ASP B 305
 K  B 605 ( 3.2A)
EDO  B 616 (-4.3A)
EDO  B 616 ( 4.1A)
EDO  B 616 ( 2.8A)
None
K  B 605 ( 4.7A)
 0.99A 6ag0A-5m99B:
22.1		 6ag0A-5m99B:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 5 TYR A 147
HIS A 187
ASP A 286
HIS A 392
ASP A 393
 TRS  A 701 (-3.5A)
TRS  A 701 (-3.9A)
TRS  A 701 (-2.8A)
None
TRS  A 701 ( 4.6A)
 0.57A 6ag0A-5n6vA:
18.4		 6ag0A-5n6vA:
23.60
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 6 TYR A1127
TYR A 626
LEU A 629
ASP A 677
HIS A 789
ASP A 790
 None
 0.81A 6ag0A-5ngyA:
11.0		 6ag0A-5ngyA:
5.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 TYR A 383
HIS A 423
ASP A 503
HIS A 600
ASP A 601
 None
 0.57A 6ag0A-5ot1A:
22.3		 6ag0A-5ot1A:
26.88
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 5 TYR A 259
HIS A 307
ASP A 373
HIS A 492
ASP A 493
 None
None
None
None
GLC  A 701 ( 4.6A)
 0.46A 6ag0A-5ww1A:
23.4		 6ag0A-5ww1A:
19.77
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 TYR A  65
HIS A 105
ASP A 202
HIS A 309
ASP A 310
 TRS  A 600 (-3.5A)
TRS  A 600 (-3.9A)
TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
 0.44A 6ag0A-5x7uA:
20.7		 6ag0A-5x7uA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 TYR A 223
HIS A 267
ASP A 356
HIS A 471
ASP A 472
 None
 0.64A 6ag0A-5z0uA:
25.1		 6ag0A-5z0uA:
25.00