SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ACI'


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
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 LEU A 315
ASP A 350
ALA A 351
HIS A 446
ASP A 447
ARG A 450
 None
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
GLC  A 805 (-3.1A)
 1.10A 1dedA-3bc9A:
27.1		 1dedA-3bc9A:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 TYR A 184
LEU A 315
ASP A 350
ALA A 351
HIS A 446
ASP A 447
 ACI  A 806 ( 4.0A)
None
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.70A 1dedA-3bc9A:
27.1		 1dedA-3bc9A:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
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
HIS A 328
ASP A 329
ASP A 371
 ACI  A 694 ( 4.0A)
GLC  A 695 ( 4.9A)
ACI  A 694 (-3.2A)
ACI  A 694 (-3.9A)
ACI  A 694 ( 2.8A)
GLC  A 695 ( 3.0A)
 1.43A 1dedA-3bmwA:
61.0		 1dedA-3bmwA:
68.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
LEU A 184
ASP A 217
HIS A 313
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
GLC  A 504 (-4.8A)
ACI  A 505 (-3.1A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 0.74A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
Potential target for repurposing, i.e. matched protein structure has less than 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
HIS A 313
ASP A 314
ASP A 362
ARG A 366
 GLC  A 504 ( 3.7A)
ACI  A 505 (-4.1A)
BGC  A 507 (-4.7A)
ACI  A 505 (-3.1A)
ACI  A 505 (-3.7A)
ACI  A 505 (-2.8A)
GLC  A 504 (-2.8A)
GLC  A 504 (-2.6A)
 0.89A 1dedA-4e2oA:
43.3		 1dedA-4e2oA:
25.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 TYR A 184
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ARG A 450
 ACI  A 806 ( 4.0A)
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
GLC  A 805 (-3.1A)
 1.03A 1dedB-3bc9A:
24.4		 1dedB-3bc9A:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 TYR A 184
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 ACI  A 806 ( 4.0A)
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.71A 1dedB-3bc9A:
24.4		 1dedB-3bc9A:
24.12
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		7 / 9 TRP A 102
HIS A 141
PHE A 184
LEU A 195
ASP A 197
LYS A 233
ASP A 371
 GLC  A 695 (-3.9A)
ACI  A 694 (-3.9A)
GLC  A 692 (-4.0A)
None
GOL  A 704 (-3.1A)
GLC  A 692 ( 2.8A)
GLC  A 695 ( 3.0A)
 0.45A 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.
1DY4_A_SNPA437_2
(EXOGLUCANASE 1)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		4 / 5 HIS A 141
TRP A 239
TYR A 211
ALA A 215
 ACI  A 694 (-3.9A)
None
None
None
 1.44A 1dy4A-3bmwA:
undetectable		 1dy4A-3bmwA:
22.57
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.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		5 / 12 TYR A  62
GLN A  63
HIS A 268
ASP A 269
TRP A  58
 ACI  A 504 ( 3.7A)
GLC  A 503 ( 3.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
None
 0.92A 1eswA-1ua7A:
15.1		 1eswA-1ua7A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		5 / 12 TYR A 184
HIS A 354
HIS A 446
ASP A 447
TRP A 131
 ACI  A 806 ( 4.0A)
GLD  A 807 ( 3.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
None
 1.30A 1eswA-3bc9A:
14.8		 1eswA-3bc9A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		5 / 12 TRP A 131
GLY A 317
ALA A 351
GLU A 380
ASP A 447
 None
ACI  A 803 (-3.3A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-2.9A)
 0.86A 1kxhA-3bc9A:
27.5		 1kxhA-3bc9A:
21.85
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		5 / 12 TRP A 131
HIS A 233
ALA A 351
GLU A 380
ASP A 447
 None
ACI  A 806 (-4.4A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-2.9A)
 0.81A 1kxhA-3bc9A:
27.5		 1kxhA-3bc9A:
21.85
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		9 / 12 TRP A  58
TYR A  62
HIS A 102
ARG A 174
ASP A 176
LYS A 179
GLU A 208
HIS A 268
ASP A 269
 None
ACI  A 504 ( 3.7A)
ACI  A 504 (-4.0A)
ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
BGC  A 506 (-2.7A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.68A 1mxdA-1ua7A:
31.7		 1mxdA-1ua7A:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		10 / 12 TRP A 131
TYR A 184
HIS A 233
ARG A 348
ASP A 350
LYS A 353
GLU A 380
TRP A 382
HIS A 446
ASP A 447
 None
ACI  A 806 ( 4.0A)
ACI  A 806 (-4.4A)
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLC  A 808 (-2.9A)
GLD  A 807 ( 2.8A)
GLC  A 808 (-3.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.43A 1mxdA-3bc9A:
39.8		 1mxdA-3bc9A:
28.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		6 / 11 TYR A  62
GLN A  63
ASP A 176
HIS A 268
ASP A 269
TRP A  58
 ACI  A 504 ( 3.7A)
GLC  A 503 ( 3.9A)
ACI  A 504 (-3.0A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
None
 0.88A 2owcA-1ua7A:
14.5		 2owcA-1ua7A:
19.69
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.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		5 / 11 TYR A 184
ASP A 350
HIS A 446
ASP A 447
TRP A 131
 ACI  A 806 ( 4.0A)
ACI  A 806 (-3.1A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
None
 0.95A 2owcA-3bc9A:
14.1		 2owcA-3bc9A:
23.27
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.
2OWW_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		6 / 11 TYR A  62
GLN A  63
ASP A 176
HIS A 268
ASP A 269
TRP A  58
 ACI  A 504 ( 3.7A)
GLC  A 503 ( 3.9A)
ACI  A 504 (-3.0A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
None
 0.89A 2owwA-1ua7A:
3.5		 2owwA-1ua7A:
19.69
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.
2OWW_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		5 / 11 TYR A 184
ASP A 350
HIS A 446
ASP A 447
TRP A 131
 ACI  A 806 ( 4.0A)
ACI  A 806 (-3.1A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
None
 0.98A 2owwA-3bc9A:
14.2		 2owwA-3bc9A:
23.27
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.11A 3aicA-3bc9A:
13.6		 3aicA-3bc9A:
22.03
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.63A 3aicA-3bc9A:
13.6		 3aicA-3bc9A:
22.03
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.16A 3aicB-3bc9A:
13.6		 3aicB-3bc9A:
22.03
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.61A 3aicB-3bc9A:
13.6		 3aicB-3bc9A:
22.03
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
TYR A 184
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
ACI  A 806 ( 4.0A)
 0.56A 3aicC-3bc9A:
13.7		 3aicC-3bc9A:
22.03
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.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
TYR A 184
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
ACI  A 806 ( 4.0A)
 1.10A 3aicC-3bc9A:
13.7		 3aicC-3bc9A:
22.03
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.19A 3aicD-3bc9A:
13.8		 3aicD-3bc9A:
22.03
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.65A 3aicD-3bc9A:
13.8		 3aicD-3bc9A:
22.03
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.14A 3aicE-3bc9A:
13.8		 3aicE-3bc9A:
22.03
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.64A 3aicE-3bc9A:
13.8		 3aicE-3bc9A:
22.03
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.15A 3aicF-3bc9A:
13.7		 3aicF-3bc9A:
22.03
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.62A 3aicF-3bc9A:
13.7		 3aicF-3bc9A:
22.03
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		6 / 12 ARG A 348
ASP A 350
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.15A 3aicG-3bc9A:
13.8		 3aicG-3bc9A:
22.03
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.60A 3aicG-3bc9A:
13.8		 3aicG-3bc9A:
22.03
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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 ARG A 348
ASP A 350
ALA A 351
GLU A 380
ARG A 409
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
None
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 1.13A 3aicH-3bc9A:
13.7		 3aicH-3bc9A:
22.03
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		7 / 12 LEU A 315
ARG A 348
ASP A 350
ALA A 351
GLU A 380
HIS A 446
ASP A 447
 None
ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 (-3.6A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.68A 3aicH-3bc9A:
13.7		 3aicH-3bc9A:
22.03
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.
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.
3H0A_A_9RAA500_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE
(Thermoanaerobact
erium
thermosulfurigen
es) 		3 / 3 ILE A  76
PHE A 113
HIS A 328
 None
None
ACI  A 694 (-3.9A)
 0.75A 3h0aA-3bmwA:
undetectable		 3h0aA-3bmwA:
15.37
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.
4MI4_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		4 / 7 TYR A 455
ASN A 232
TYR A 184
GLU A 380
 GLD  A 807 (-3.7A)
CA  A 702 (-3.1A)
ACI  A 806 ( 4.0A)
GLD  A 807 ( 2.8A)
 1.05A 4mi4A-3bc9A:
undetectable
4mi4C-3bc9A:
undetectable		 4mi4A-3bc9A:
15.99
4mi4C-3bc9A:
15.99
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		4 / 7 PHE A 304
HIS A  13
ASN A 273
ARG A 174
 None
None
GLC  A 503 (-2.8A)
ACI  A 504 (-3.5A)
 1.32A 4o7gA-1ua7A:
undetectable
4o7gB-1ua7A:
undetectable		 4o7gA-1ua7A:
19.80
4o7gB-1ua7A:
19.80
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		5 / 12 ARG A 174
ASP A 176
GLU A 208
HIS A 268
ASP A 269
 ACI  A 504 (-3.5A)
ACI  A 504 (-3.0A)
ACI  A 504 ( 2.9A)
ACI  A 504 (-3.8A)
ACI  A 504 ( 2.8A)
 0.48A 5csyB-1ua7A:
5.4		 5csyB-1ua7A:
22.76
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		5 / 12 ARG A 348
ASP A 350
GLU A 380
HIS A 446
ASP A 447
 ACI  A 806 (-3.3A)
ACI  A 806 (-3.1A)
GLD  A 807 ( 2.8A)
ACI  A 806 (-4.1A)
ACI  A 806 (-2.9A)
 0.35A 5csyB-3bc9A:
5.8		 5csyB-3bc9A:
21.48
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.
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.
5ESK_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		4 / 4 ALA A 177
PRO A 171
LEU A 231
HIS A 233
 None
None
None
ACI  A 806 (-4.4A)
 1.11A 5eskA-3bc9A:
undetectable		 5eskA-3bc9A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1ua7 ALPHA-AMYLASE
(Bacillus
subtilis) 		6 / 12 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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		10 / 12 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.
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)		 3bc9 ALPHA AMYLASE,
CATALYTIC REGION
(Halothermothrix
orenii) 		8 / 12 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.
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