SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'G6D'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		6 / 12 TYR A  62
LEU A 141
LEU A 142
ASP A 176
ALA A 177
HIS A 268
 ACI  A 504 ( 3.7A)
G6D  A 505 ( 4.7A)
GLD  A 502 (-4.1A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 (-3.8A)
 1.47A 1dedA-1ua7A:
30.9		 1dedA-1ua7A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 TYR A  62
LEU A 141
LEU A 144
ASP A 176
ALA A 177
HIS A 268
ASP A 269
 ACI  A 504 ( 3.7A)
G6D  A 505 ( 4.7A)
GLD  A 502 ( 4.8A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.59A 1dedA-1ua7A:
30.9		 1dedA-1ua7A:
23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 HIS A  99
TYR A 101
ASP A 230
GLU A 258
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.94A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		10 / 12 HIS A  99
TYR A 101
LEU A 195
LEU A 198
ASP A 230
ALA A 231
HIS A 328
ASP A 329
ASP A 371
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
None
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
GLC  A 695 ( 2.9A)
 0.64A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 TYR A 101
LEU A 198
ASP A 230
GLU A 258
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Potential target for repurposing, i.e. matched protein structure has less than 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_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
LEU A 184
ASP A 217
GLU A 246
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 1.00A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 HIS A 102
TYR A 104
TYR A 182
ASP A 217
GLU A 246
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 1.16A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 9 TYR A  98
TRP A 102
HIS A 141
ASP A 197
ARG A 228
LYS A 233
TRP A 259
PHE A 260
 None
GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GOL  A 704 (-3.1A)
ACI  A 694 (-3.4A)
GLC  A 692 ( 2.8A)
None
G6D  A 693 ( 4.3A)
 0.60A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 TYR A  62
LEU A 142
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
 ACI  A 504 ( 3.7A)
GLD  A 502 (-4.1A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
 1.27A 1dedB-1ua7A:
28.5		 1dedB-1ua7A:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		8 / 12 TYR A  62
LEU A 144
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 ACI  A 504 ( 3.7A)
GLD  A 502 ( 4.8A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.64A 1dedB-1ua7A:
28.5		 1dedB-1ua7A:
23.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		11 / 12 HIS A  99
TYR A 101
LEU A 198
ARG A 228
ASP A 230
ALA A 231
GLU A 258
PHE A 260
HIS A 328
ASP A 329
ARG A 375
 GLC  A 695 ( 3.7A)
ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
G6D  A 693 ( 4.3A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 2.9A)
 0.63A 1dedB-3bmwA:
66.5		 1dedB-3bmwA:
68.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		10 / 12 HIS A 102
TYR A 104
TYR A 182
LEU A 184
ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.6A)
 0.80A 1dedB-4e2oA:
41.3		 1dedB-4e2oA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 TRP A  58
GLN A  63
HIS A 102
GLY A 143
ALA A 177
GLU A 208
ASP A 269
 None
GLC  A 503 ( 3.9A)
ACI  A 504 (-4.0A)
ACI  A 501 (-3.6A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 ( 2.8A)
 0.43A 1kxhA-1ua7A:
9.6		 1kxhA-1ua7A:
27.97
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 12 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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		8 / 12 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.
2LH8_A_VIBA1_1
(MAJOR PRION PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 PRO A 236
HIS A 234
ASP A 183
TYR A 192
 GOL  A 706 (-4.4A)
G6D  A 693 ( 3.8A)
None
None
 1.46A 2lh8A-3bmwA:
undetectable		 2lh8A-3bmwA:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LH8_A_VIBA1_1
(MAJOR PRION PROTEIN)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 6 PRO A 236
HIS A 234
ASP A 189
TYR A 192
 GOL  A 706 (-4.4A)
G6D  A 693 ( 3.8A)
None
None
 1.46A 2lh8A-3bmwA:
undetectable		 2lh8A-3bmwA:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.60A 3aicA-1ua7A:
5.0		 3aicA-1ua7A:
20.49
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.28A 3aicA-3bmwA:
7.8		 3aicA-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.64A 3aicA-3bmwA:
7.8		 3aicA-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.68A 3aicA-4e2oA:
5.3		 3aicA-4e2oA:
19.16
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.60A 3aicB-1ua7A:
8.9		 3aicB-1ua7A:
20.49
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.24A 3aicB-3bmwA:
4.6		 3aicB-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.62A 3aicB-3bmwA:
4.6		 3aicB-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.64A 3aicB-4e2oA:
9.6		 3aicB-4e2oA:
19.16
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
TYR A  62
 ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
ACI  A 504 ( 3.7A)
 0.63A 3aicC-1ua7A:
9.6		 3aicC-1ua7A:
20.49
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
TYR A 101
 ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
ACI  A 694 ( 4.0A)
 0.65A 3aicC-3bmwA:
9.7		 3aicC-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		6 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
TYR A 104
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
ACI  A 505 (-4.1A)
 0.65A 3aicC-4e2oA:
9.9		 3aicC-4e2oA:
19.16
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.63A 3aicD-1ua7A:
9.5		 3aicD-1ua7A:
20.49
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.27A 3aicD-3bmwA:
9.7		 3aicD-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.68A 3aicD-3bmwA:
9.7		 3aicD-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.74A 3aicD-4e2oA:
4.6		 3aicD-4e2oA:
19.16
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.63A 3aicE-1ua7A:
9.4		 3aicE-1ua7A:
20.49
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.31A 3aicE-3bmwA:
5.3		 3aicE-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.67A 3aicE-3bmwA:
5.3		 3aicE-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.71A 3aicE-4e2oA:
4.7		 3aicE-4e2oA:
19.16
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.62A 3aicF-1ua7A:
9.3		 3aicF-1ua7A:
20.49
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.25A 3aicF-3bmwA:
7.6		 3aicF-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.63A 3aicF-3bmwA:
7.6		 3aicF-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.65A 3aicF-4e2oA:
9.9		 3aicF-4e2oA:
19.16
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.58A 3aicG-1ua7A:
9.3		 3aicG-1ua7A:
20.49
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.27A 3aicG-3bmwA:
5.7		 3aicG-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.62A 3aicG-3bmwA:
5.7		 3aicG-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.64A 3aicG-4e2oA:
4.8		 3aicG-4e2oA:
19.16
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 LEU A 141
ARG A 174
ASP A 176
ALA A 177
GLU A 208
HIS A 268
ASP A 269
 G6D  A 505 ( 4.7A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
G6D  A 505 (-3.4A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.67A 3aicH-1ua7A:
9.5		 3aicH-1ua7A:
20.49
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
ASN A 270
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
None
 1.32A 3aicH-3bmwA:
5.3		 3aicH-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 12 LEU A 195
ARG A 228
ASP A 230
ALA A 231
GLU A 258
HIS A 328
ASP A 329
 None
ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 (-3.5A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.71A 3aicH-3bmwA:
5.3		 3aicH-3bmwA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.73A 3aicH-4e2oA:
4.7		 3aicH-4e2oA:
19.16
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.
4TZC_D_EF2D505_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 8 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.35A 4tzcB-1ua7A:
0.0
4tzcD-1ua7A:
0.0		 4tzcB-1ua7A:
13.88
4tzcD-1ua7A:
13.88
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.
4TZU_B_Y70B505_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.36A 4tzuB-1ua7A:
0.4
4tzuC-1ua7A:
0.3		 4tzuB-1ua7A:
13.38
4tzuC-1ua7A:
13.38
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.
4TZU_C_Y70C504_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.35A 4tzuB-1ua7A:
0.4
4tzuC-1ua7A:
0.3		 4tzuB-1ua7A:
13.38
4tzuC-1ua7A:
13.38
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		5 / 12 ARG A 228
ASP A 230
GLU A 258
HIS A 328
ASP A 329
 ACI  A 694 (-3.4A)
ACI  A 694 (-3.2A)
G6D  A 693 ( 2.8A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
 0.47A 5csyB-3bmwA:
20.0		 5csyB-3bmwA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		5 / 12 ARG A 215
ASP A 217
GLU A 246
HIS A 313
ASP A 314
 ACI  A 505 (-3.3A)
ACI  A 505 (-3.1A)
G6D  A 506 (-2.7A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
 0.41A 5csyB-4e2oA:
6.0		 5csyB-4e2oA:
22.15
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.
5YIZ_G_EF2G501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.34A 5yizG-1ua7A:
0.3
5yizY-1ua7A:
0.4		 5yizG-1ua7A:
11.14
5yizY-1ua7A:
11.14
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.
5YIZ_K_EF2K501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.36A 5yizk-1ua7A:
0.2
5yizt-1ua7A:
0.3		 5yizk-1ua7A:
11.14
5yizt-1ua7A:
11.14
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.
5YIZ_T_EF2T501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.35A 5yizk-1ua7A:
0.2
5yizt-1ua7A:
0.3		 5yizk-1ua7A:
11.14
5yizt-1ua7A:
11.14
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.
5YIZ_Y_EF2Y501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.35A 5yizG-1ua7A:
0.3
5yizY-1ua7A:
0.4		 5yizG-1ua7A:
11.14
5yizY-1ua7A:
11.14
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.
5YJ0_G_EF2G501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.39A 5yj0G-1ua7A:
0.3
5yj0Y-1ua7A:
0.2		 5yj0G-1ua7A:
11.14
5yj0Y-1ua7A:
11.14
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.
5YJ0_K_EF2K501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.38A 5yj0k-1ua7A:
0.3
5yj0t-1ua7A:
0.3		 5yj0k-1ua7A:
11.14
5yj0t-1ua7A:
11.14
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.
5YJ0_T_EF2T501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.40A 5yj0k-1ua7A:
0.3
5yj0t-1ua7A:
0.3		 5yj0k-1ua7A:
11.14
5yj0t-1ua7A:
11.14
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.
5YJ0_Y_EF2Y501_1
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.35A 5yj0G-1ua7A:
0.3
5yj0Y-1ua7A:
0.2		 5yj0G-1ua7A:
11.14
5yj0Y-1ua7A:
11.14
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.
5YJ1_G_6ELG501_0
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 8 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.37A 5yj1G-1ua7A:
0.4
5yj1Y-1ua7A:
0.4		 5yj1G-1ua7A:
13.30
5yj1Y-1ua7A:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_K_6ELK501_0
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 HIS A 180
TRP A 194
PHE A 193
THR A 227
 G6D  A 505 ( 3.7A)
None
None
None
 1.43A 5yj1k-1ua7A:
0.2
5yj1t-1ua7A:
0.0		 5yj1k-1ua7A:
13.30
5yj1t-1ua7A:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_T_6ELT501_0
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 8 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.41A 5yj1k-1ua7A:
0.2
5yj1t-1ua7A:
0.0		 5yj1k-1ua7A:
13.30
5yj1t-1ua7A:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJ1_Y_6ELY501_0
(PROTEIN CEREBLON)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 THR A 227
HIS A 180
TRP A 194
PHE A 193
 None
G6D  A 505 ( 3.7A)
None
None
 1.33A 5yj1G-1ua7A:
0.4
5yj1Y-1ua7A:
0.4		 5yj1G-1ua7A:
13.30
5yj1Y-1ua7A:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 7 LYS A 198
GLY A 236
TRP A 260
ASP A 286
TRP A 287
MET A 316
 G6D  A 801 (-3.5A)
GLC  A 802 ( 3.3A)
G6D  A 801 ( 3.6A)
ACI  A 803 (-2.6A)
GLC  A 802 ( 4.3A)
GLC  A 805 (-3.7A)
 0.38A 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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		9 / 12 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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		8 / 12 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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4e2o ALPHA-AMYLASE
(Geobacillus
thermoleovorans) 		6 / 12 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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		7 / 12 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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		6 / 12 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.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 7 LYS A 198
GLY A 236
TRP A 260
ASP A 286
TRP A 287
MET A 316
 G6D  A 801 (-3.5A)
GLC  A 802 ( 3.3A)
G6D  A 801 ( 3.6A)
ACI  A 803 (-2.6A)
GLC  A 802 ( 4.3A)
GLC  A 805 (-3.7A)
 0.38A 6ag0C-3bc9A:
48.4		 6ag0C-3bc9A:
15.02