SIMILAR PATTERNS OF AMINO ACIDS FOR 6AG0_C_ACRC608_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) 		5 TRP A   9
ASP A 179
LYS A 182
HIS A 288
ASP A 289
 None
 0.52A 6ag0C-1amyA:
36.1		 6ag0C-1amyA:
13.72
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) 		7 TRP A  13
ASP B 231
LYS B 234
HIS B 235
HIS B 327
ASP B 328
GLN B 333
 None
 0.50A 6ag0C-1bplA:
19.2		 6ag0C-1bplA:
31.43
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) 		6 TRP A  13
ASP B 231
TYR B 290
HIS B 327
ASP B 328
GLN B 333
 None
 0.75A 6ag0C-1bplA:
19.2		 6ag0C-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) 		5 LEU A 190
ASP A 225
HIS A 229
HIS A 323
ASP A 324
 None
 0.69A 6ag0C-1cygA:
26.9		 6ag0C-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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 190
ASP A 225
LYS A 228
HIS A 229
HIS A 323
 None
 0.95A 6ag0C-1cygA:
26.9		 6ag0C-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) 		5 LEU A 194
ASP A 229
LYS A 232
HIS A 327
ASP A 328
 QPS  A1001 (-3.2A)
QPS  A1001 (-2.7A)
QPS  A1001 ( 4.1A)
QPS  A1001 (-3.6A)
QPS  A1001 (-1.7A)
 0.87A 6ag0C-1dedA:
26.0		 6ag0C-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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 TYR A 824
MET A 311
LYS A 461
TYR A 450
ASP A 280
 None
 1.44A 6ag0C-1dgjA:
undetectable		 6ag0C-1dgjA:
6.69
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		11 TRP A  11
GLU A 189
TYR A 193
LEU A 196
MET A 197
ASP A 231
LYS A 234
HIS A 235
HIS A 327
ASP A 328
GLN A 333
 None
 0.79A 6ag0C-1e43A:
59.0		 6ag0C-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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		5 LEU A 152
HIS A 148
TYR A 394
HIS A 453
GLN A 108
 None
CD  A 596 (-3.5A)
None
CD  A 595 ( 3.5A)
None
 1.32A 6ag0C-1ii0A:
undetectable		 6ag0C-1ii0A:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		7 TRP A  56
GLU A 229
ASP A 185
LYS A 188
HIS A 189
HIS A 286
ASP A 287
 None
 1.20A 6ag0C-1jaeA:
29.5		 6ag0C-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
GLU A 229
TYR A 139
LYS A 188
HIS A 286
ASP A 287
 None
 1.42A 6ag0C-1jaeA:
29.5		 6ag0C-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) 		7 TRP A  56
LEU A 150
ASP A 185
LYS A 188
HIS A 189
HIS A 286
ASP A 287
 None
 0.68A 6ag0C-1jaeA:
29.5		 6ag0C-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) 		5 TRP A  56
LEU A 153
ASP A 185
HIS A 286
ASP A 287
 None
 1.39A 6ag0C-1jaeA:
29.5		 6ag0C-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) 		6 GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
 1.15A 6ag0C-1jxkA:
26.6		 6ag0C-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) 		5 GLU A 240
TYR A 151
LYS A 200
HIS A 299
ASP A 300
 None
 1.37A 6ag0C-1jxkA:
26.6		 6ag0C-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 LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 None
 0.62A 6ag0C-1jxkA:
26.6		 6ag0C-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
GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
 None
 1.21A 6ag0C-1jxkA:
26.6		 6ag0C-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) 		5 TRP A  58
GLU A 240
TYR A 151
LYS A 200
HIS A 299
 None
 1.48A 6ag0C-1jxkA:
26.6		 6ag0C-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
LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
 None
 0.77A 6ag0C-1jxkA:
26.6		 6ag0C-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) 		5 LEU A 194
ASP A 229
HIS A 233
HIS A 327
ASP A 328
 None
GLC  A1695 (-3.2A)
GLC  A1694 ( 4.0A)
GLC  A1695 (-4.1A)
GLC  A1695 ( 3.0A)
 0.50A 6ag0C-1kclA:
28.4		 6ag0C-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) 		6 TRP A  46
GLU A 207
LYS A 177
HIS A 178
HIS A 263
ASP A 264
 None
None
None
None
None
ACR  A 598 (-3.1A)
 1.42A 6ag0C-1kxhA:
28.8		 6ag0C-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
LEU A 139
LYS A 177
HIS A 178
HIS A 263
ASP A 264
 None
None
None
None
None
ACR  A 598 (-3.1A)
 0.74A 6ag0C-1kxhA:
28.8		 6ag0C-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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  18
ASP A 198
LYS A 201
HIS A 288
ASP A 289
 None
ZN  A 441 ( 4.2A)
None
None
ZN  A 441 (-4.0A)
 0.59A 6ag0C-1mwoA:
39.6		 6ag0C-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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TRP A  18
ASP A 198
TYR A 249
HIS A 288
ASP A 289
 None
ZN  A 441 ( 4.2A)
None
None
ZN  A 441 (-4.0A)
 0.77A 6ag0C-1mwoA:
39.6		 6ag0C-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 GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 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)
 1.01A 6ag0C-1oseA:
26.7		 6ag0C-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) 		6 LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
ASP A 300
 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)
 0.53A 6ag0C-1oseA:
26.7		 6ag0C-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) 		6 TRP A  58
GLU A 240
ASP A 197
LYS A 200
HIS A 201
HIS A 299
 None
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)
 1.10A 6ag0C-1oseA:
26.7		 6ag0C-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) 		6 TRP A  58
LEU A 162
ASP A 197
LYS A 200
HIS A 201
HIS A 299
 None
None
AC1  A 992 ( 3.3A)
BGC  A 993 ( 2.8A)
AC1  A 992 ( 3.8A)
AC1  A 992 ( 3.9A)
 0.73A 6ag0C-1oseA:
26.7		 6ag0C-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) 		5 ASP A 228
LYS A 231
HIS A 232
HIS A 328
ASP A 329
 ABD  A1200 (-3.1A)
ABD  A1200 (-2.9A)
ABD  A1200 ( 3.8A)
ABD  A1200 (-3.8A)
ABD  A1200 (-2.9A)
 0.42A 6ag0C-1qhoA:
28.6		 6ag0C-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.
1sb7 TRNA PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF01142
(TruD) 		5 TYR A 304
LEU A 302
MET A 301
ASP A 215
GLN A 218
 None
 1.31A 6ag0C-1sb7A:
undetectable		 6ag0C-1sb7A:
13.39
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		7 TRP A  58
LEU A 141
ASP A 176
LYS A 179
HIS A 180
HIS A 268
ASP A 269
 None
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)
 0.72A 6ag0C-1ua7A:
28.7		 6ag0C-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) 		10 TRP A  13
GLU A 189
TYR A 193
LEU A 196
ASP A 231
LYS A 234
HIS A 235
TYR A 290
HIS A 327
ASP A 328
 None
 0.73A 6ag0C-1ud3A:
63.6		 6ag0C-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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 TRP A  13
ASP A 231
LYS A 234
HIS A 327
ASP A 328
GLN A 333
 None
 0.35A 6ag0C-1vjsA:
55.5		 6ag0C-1vjsA:
6.92
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 TRP A  13
ASP A 231
TYR A 290
HIS A 327
ASP A 328
GLN A 333
 None
 0.78A 6ag0C-1vjsA:
55.5		 6ag0C-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) 		10 TRP A  15
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  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)
 0.34A 6ag0C-1w9xA:
64.3		 6ag0C-1w9xA:
32.35
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) 		7 TRP A  15
LEU A 201
MET A 202
ASP A 236
TYR A 295
HIS A 332
ASP A 333
 None
AC1  A1492 ( 4.9A)
GLC  A1493 (-3.5A)
AC1  A1492 (-3.0A)
BGC  A1490 ( 4.5A)
AC1  A1492 (-3.9A)
AC1  A1492 ( 3.0A)
 0.75A 6ag0C-1w9xA:
64.3		 6ag0C-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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 GLU A 376
HIS A 310
TYR A 346
HIS A 399
ASP A 400
 GLC  A1605 (-2.8A)
GLC  A1605 (-4.2A)
None
None
None
 1.08A 6ag0C-2bxyA:
24.9		 6ag0C-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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 TRP A 175
GLU A 376
ASP A 275
HIS A 399
ASP A 400
 None
GLC  A1605 (-2.8A)
None
None
None
 1.24A 6ag0C-2bxyA:
24.9		 6ag0C-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) 		10 TRP A  15
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
None
None
None
GLC  A 605 ( 3.5A)
None
None
None
None
GLC  A 605 (-3.5A)
 0.39A 6ag0C-2d3lA:
59.6		 6ag0C-2d3lA:
9.55
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 TRP A  15
LEU A 201
ASP A 236
HIS A 240
TYR A 295
HIS A 332
ASP A 333
 None
None
None
None
None
None
GLC  A 605 (-3.5A)
 0.82A 6ag0C-2d3lA:
59.6		 6ag0C-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) 		10 TRP A  15
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
 0.49A 6ag0C-2dieA:
64.2		 6ag0C-2dieA:
32.11
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
LEU A 201
MET A 202
ASP A 236
TYR A 295
HIS A 332
ASP A 333
 None
 1.01A 6ag0C-2dieA:
64.2		 6ag0C-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.
2taa TAKA-AMYLASE A

(Aspergillus
oryzae) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 LYS A 209
HIS A 210
TYR A 256
HIS A 296
ASP A 297
 None
 1.32A 6ag0C-2taaA:
22.9		 6ag0C-2taaA:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uy1 CLEAVAGE STIMULATION
FACTOR 77

(Encephalitozoon
cuniculi) 		PF05843
(Suf) 		5 GLU A 213
TYR A 439
LEU A 436
MET A 432
ASP A 461
 None
 1.49A 6ag0C-2uy1A:
undetectable		 6ag0C-2uy1A:
8.70
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 TYR A 430
LEU A 433
ASP A 477
HIS A 587
ASP A 588
 None
 0.79A 6ag0C-3aibA:
11.6		 6ag0C-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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		8 TRP A 131
LEU A 315
MET A 316
ASP A 350
LYS A 353
HIS A 354
HIS A 446
ASP A 447
 None
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)
 0.45A 6ag0C-3bc9A:
48.4		 6ag0C-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) 		6 LEU A 195
ASP A 230
LYS A 233
HIS A 234
HIS A 328
ASP A 329
 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)
 0.47A 6ag0C-3bmwA:
28.3		 6ag0C-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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 ASP A 388
LYS A 391
HIS A 392
HIS A 497
ASP A 498
 ACT  A 961 (-2.8A)
None
None
None
EDO  A 901 (-4.4A)
 0.41A 6ag0C-3k8kA:
25.5		 6ag0C-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) 		5 TRP A  18
ASP A 198
TYR A 249
HIS A 288
ASP A 289
 None
TRS  A 505 (-2.7A)
None
TRS  A 505 (-4.2A)
TRS  A 505 (-3.0A)
 0.80A 6ag0C-3qgvA:
39.7		 6ag0C-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.
3vm5 ALPHA-AMYLASE

(Oryzias latipes) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 TRP A  58
GLU A 240
ASP A 197
HIS A 299
ASP A 300
 None
 1.21A 6ag0C-3vm5A:
26.6		 6ag0C-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) 		6 TRP A  58
LEU A 162
ASP A 197
HIS A 201
HIS A 299
ASP A 300
 None
 0.65A 6ag0C-3vm5A:
26.6		 6ag0C-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) 		5 TRP A  58
LEU A 165
ASP A 197
HIS A 299
ASP A 300
 None
 1.47A 6ag0C-3vm5A:
26.6		 6ag0C-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) 		7 LEU A 185
ASP A 225
LYS A 228
HIS A 229
TYR A 275
HIS A 315
ASP A 316
 None
GLC  A 503 (-3.5A)
GLC  A 503 ( 4.4A)
GLC  A 503 ( 4.0A)
None
None
GLC  A 503 (-3.0A)
 0.90A 6ag0C-3vm7A:
27.4		 6ag0C-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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		6 LEU A 194
ASP A 229
LYS A 232
HIS A 233
HIS A 327
ASP A 328
 None
 1.01A 6ag0C-4cgtA:
28.1		 6ag0C-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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 LEU A 194
ASP A 229
HIS A 233
HIS A 328
ASP A 329
 None
GOL  A 711 (-2.8A)
None
EDO  A 718 ( 3.9A)
None
 0.66A 6ag0C-4jclA:
28.5		 6ag0C-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) 		5 LEU A 194
ASP A 229
LYS A 232
HIS A 233
HIS A 328
 None
GOL  A 711 (-2.8A)
None
None
EDO  A 718 ( 3.9A)
 0.87A 6ag0C-4jclA:
28.5		 6ag0C-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.
4mg3 PROTEASE 2A

(Enterovirus A) 		PF00947
(Pico_P2A) 		5 GLU A  88
TYR A  89
LEU A  22
HIS A  21
ASP A 109
 None
 1.31A 6ag0C-4mg3A:
undetectable		 6ag0C-4mg3A:
19.42
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
GLU A 190
TYR A 194
LEU A 197
MET A 198
ASP A 232
LYS A 235
HIS A 236
TYR A 266
HIS A 328
ASP A 329
GLN A 334
 None
None
None
None
None
NA  A1490 (-2.9A)
None
None
None
None
NA  A1490 ( 4.5A)
None
 0.30A 6ag0C-4uzuA:
67.4		 6ag0C-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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		6 LEU A 177
ASP A 213
LYS A 216
HIS A 217
HIS A 309
ASP A 310
 None
ACT  A1479 (-2.6A)
None
None
None
ACT  A1479 ( 4.9A)
 0.45A 6ag0C-5a2aA:
29.0		 6ag0C-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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 LEU A 971
ASP A1015
TYR A1079
HIS A1124
ASP A1125
 None
None
ACT  A1706 (-4.6A)
None
GLC  A1711 ( 3.2A)
 0.98A 6ag0C-5jbeA:
12.4		 6ag0C-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.
5lnf PEROXISOMAL
BIOGENESIS FACTOR 19

(Homo sapiens) 		PF04614
(Pex19) 		5 GLU A 271
LEU A 276
MET A 179
TYR A 199
GLN A 259
 None
None
None
None
FAR  A 301 (-3.2A)
 1.41A 6ag0C-5lnfA:
undetectable		 6ag0C-5lnfA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m99 ALPHA-AMYLASE

(Thermotoga
petrophila) 		PF00128
(Alpha-amylase) 		6 ASP B 213
LYS B 216
HIS B 217
TYR B 276
HIS B 304
ASP B 305
 EDO  B 616 ( 2.8A)
None
NA  B 604 ( 4.9A)
None
None
K  B 605 ( 4.7A)
 0.85A 6ag0C-5m99B:
22.1		 6ag0C-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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 5 TYR A 626
LEU A 629
ASP A 677
HIS A 789
ASP A 790
 None
 0.82A 6ag0C-5ngyA:
11.0		 6ag0C-5ngyA:
5.39