SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ACR'


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.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
 0.62A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		10 / 12 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.32A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		6 / 12 ALA A 319
TYR A 337
TRP A 390
GLU A 439
TYR A 581
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
None
 0.99A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
 0.72A 1agmA-1ulvA:
31.6		 1agmA-1ulvA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		10 / 12 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
GLU A 628
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.48A 1agmA-1ulvA:
31.6		 1agmA-1ulvA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		12 / 12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
GLU A 456
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
ACR  A 995 ( 4.6A)
 0.21A 1agmA-2f6dA:
45.9		 1agmA-2f6dA:
34.97
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.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		12 / 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.1A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
ACR  A 801 (-4.4A)
 0.34A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
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.
1AGM_A_ACRA495_2
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		4 / 4 TRP A 437
GLU A 438
LEU A 652
TRP A 654
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
None
 0.48A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_2
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 4 TRP A 429
GLU A 430
LEU A 653
TRP A 655
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.42A 1agmA-1ulvA:
31.7		 1agmA-1ulvA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA495_2
(GLUCOAMYLASE-471)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 4 TRP A 209
GLU A 210
LEU A 471
TRP A 473
 None
ACR  A 995 (-3.7A)
None
None
 0.16A 1agmA-2f6dA:
45.9		 1agmA-2f6dA:
34.97
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.
1AGM_A_ACRA495_2
(GLUCOAMYLASE-471)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 4 TRP A 207
GLU A 208
LEU A 447
TRP A 449
 None
ACR  A 801 (-3.9A)
None
None
 0.27A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
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.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
 0.62A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		10 / 12 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.32A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		6 / 12 ALA A 319
TYR A 337
TRP A 390
GLU A 439
TYR A 581
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
None
 0.99A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
 0.72A 1agmA-1ulvA:
31.6		 1agmA-1ulvA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		10 / 12 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
GLU A 628
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.48A 1agmA-1ulvA:
31.6		 1agmA-1ulvA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		12 / 12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
GLU A 456
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
ACR  A 995 ( 4.6A)
 0.21A 1agmA-2f6dA:
45.9		 1agmA-2f6dA:
34.97
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.
1AGM_A_ACRA496_1
(GLUCOAMYLASE-471)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		12 / 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.1A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
ACR  A 801 (-4.4A)
 0.34A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
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.
1AGM_A_ACRA496_2
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		4 / 5 TRP A 437
GLU A 438
LEU A 652
TRP A 654
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
None
 0.48A 1agmA-1lf9A:
29.7		 1agmA-1lf9A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA496_2
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 5 TRP A 429
GLU A 430
LEU A 653
TRP A 655
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.42A 1agmA-1ulvA:
31.7		 1agmA-1ulvA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AGM_A_ACRA496_2
(GLUCOAMYLASE-471)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 5 TRP A 209
GLU A 210
LEU A 471
TRP A 473
 None
ACR  A 995 (-3.7A)
None
None
 0.16A 1agmA-2f6dA:
45.9		 1agmA-2f6dA:
34.97
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.
1AGM_A_ACRA496_2
(GLUCOAMYLASE-471)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 5 TRP A 207
GLU A 208
LEU A 447
TRP A 449
 None
ACR  A 801 (-3.9A)
None
None
 0.27A 1agmA-6fhwA:
60.6		 1agmA-6fhwA:
10.97
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.
1C4D_D_DVAD8_0
(GRAMICIDIN A)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		3 / 3 TRP A 193
VAL A 372
TRP A 159
 ACR  A 501 (-3.1A)
PEG  A 502 (-4.4A)
None
 1.26A 1c4dC-4uacA:
undetectable
1c4dD-4uacA:
undetectable		 1c4dC-4uacA:
2.95
1c4dD-4uacA:
2.95
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 TYR A  50
LEU A 139
LEU A 142
ALA A 175
HIS A 263
ASP A 264
 ACR  A 598 (-4.5A)
None
ACR  A 598 ( 4.9A)
ACR  A 598 (-3.7A)
None
ACR  A 598 (-3.1A)
 0.68A 1dedA-1kxhA:
29.5		 1dedA-1kxhA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		7 / 12 TYR A  50
LEU A 142
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 ACR  A 598 (-4.5A)
ACR  A 598 ( 4.9A)
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.78A 1dedB-1kxhA:
27.0		 1dedB-1kxhA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		5 / 12 TYR A  50
GLN A  51
HIS A 178
HIS A 263
ASP A 264
 ACR  A 598 (-4.5A)
ACR  A 598 (-3.7A)
None
None
ACR  A 598 (-3.1A)
 1.16A 1eswA-1kxhA:
13.6		 1eswA-1kxhA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA651_1
(AMYLOMALTASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		5 / 12 TYR A  50
GLN A  51
HIS A 263
ASP A 264
TRP A  46
 ACR  A 598 (-4.5A)
ACR  A 598 (-3.7A)
None
ACR  A 598 (-3.1A)
None
 0.96A 1eswA-1kxhA:
13.6		 1eswA-1kxhA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 TRP A 341
ARG A 343
ASP A 344
GLY A 392
GLU A 438
 ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
ACR  A 700 (-3.5A)
 0.72A 1gahA-1lf9A:
29.6		 1gahA-1lf9A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		9 / 12 TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 438
GLU A 439
TYR A 581
TRP A 599
GLU A 636
 ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.5A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
None
None
 0.31A 1gahA-1lf9A:
29.6		 1gahA-1lf9A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 TRP A 330
ARG A 332
ASP A 333
GLY A 382
GLU A 430
 ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
ACR  A3000 (-3.6A)
 0.83A 1gahA-1ulvA:
31.6		 1gahA-1ulvA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		9 / 12 TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 430
GLU A 431
TYR A 573
TRP A 591
GLU A 628
 ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.6A)
ACR  A3000 (-3.5A)
ACR  A3000 (-3.7A)
None
None
 0.36A 1gahA-1ulvA:
31.6		 1gahA-1ulvA:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		11 / 12 TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 210
GLU A 211
TYR A 351
TRP A 362
GLU A 456
 ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.5A)
ACR  A 995 ( 3.7A)
None
ACR  A 995 ( 4.6A)
 0.15A 1gahA-2f6dA:
45.7		 1gahA-2f6dA:
34.97
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.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		11 / 12 TYR A  76
TRP A  80
ARG A  82
ASP A  83
TRP A 149
GLY A 150
GLU A 208
GLU A 209
TYR A 341
TRP A 347
GLU A 432
 ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.1A)
ACR  A 801 (-3.9A)
ACR  A 801 (-3.9A)
ACR  A 801 ( 3.9A)
None
ACR  A 801 (-4.4A)
 0.29A 1gahA-6fhwA:
60.5		 1gahA-6fhwA:
10.97
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 6 ALA A 319
TRP A 437
ARG A 575
LEU A 652
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.8A)
ACR  A 700 (-3.0A)
None
None
 0.41A 1gahA-1lf9A:
29.6		 1gahA-1lf9A:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 6 ALA A 307
TRP A 429
ARG A 567
LEU A 653
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-4.9A)
ACR  A3000 (-2.9A)
None
None
 0.51A 1gahA-1ulvA:
31.6		 1gahA-1ulvA:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		5 / 6 ALA A  54
TRP A 209
ARG A 345
LEU A 471
TRP A 473
 ACR  A 995 (-3.4A)
None
ACR  A 995 (-3.0A)
None
None
 0.18A 1gahA-2f6dA:
45.7		 1gahA-2f6dA:
34.97
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		5 / 6 ALA A  67
TRP A 207
ARG A 335
LEU A 447
TRP A 449
 ACR  A 801 (-3.5A)
None
ACR  A 801 (-2.8A)
None
None
 0.39A 1gahA-6fhwA:
60.5		 1gahA-6fhwA:
10.97
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.
1JQD_A_HSMA600_1
(HISTAMINE
N-METHYLTRANSFERASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 7 GLU A 431
TRP A 582
TRP A 313
ASN A 513
 ACR  A3000 (-3.5A)
None
None
ACR  A3000 (-3.5A)
 0.97A 1jqdA-1ulvA:
undetectable		 1jqdA-1ulvA:
13.57
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 6 ARG A 345
GLY A 359
ASP A 349
TYR A 331
 ACR  A 995 (-3.0A)
None
None
None
 1.25A 1kf6M-2f6dA:
undetectable
1kf6N-2f6dA:
undetectable		 1kf6M-2f6dA:
21.27
1kf6N-2f6dA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		6 / 12 ALA A 307
GLN A 384
GLU A 431
ASN A 513
ARG A 567
TYR A 573
 ACR  A3000 (-3.4A)
None
ACR  A3000 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
 1.20A 1lf9A-1ulvA:
53.0		 1lf9A-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		11 / 12 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLN A 370
GLU A 431
ASN A 513
ARG A 567
TYR A 573
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
 0.46A 1lf9A-1ulvA:
53.0		 1lf9A-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ARG A 332
GLN A 426
ASN A 513
ARG A 567
TYR A 573
 ACR  A3000 (-3.7A)
ACR  A3000 ( 3.8A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
 1.34A 1lf9A-1ulvA:
53.0		 1lf9A-1ulvA:
30.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		9 / 12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
GLU A 211
ARG A 345
TYR A 351
TRP A 473
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
 0.32A 1lf9A-2f6dA:
29.6		 1lf9A-2f6dA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		5 / 12 ALA A  54
TYR A  63
TRP A 139
GLU A 211
TYR A 351
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.5A)
ACR  A 995 ( 3.7A)
 0.93A 1lf9A-2f6dA:
29.6		 1lf9A-2f6dA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		9 / 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
GLU A 209
ARG A 335
TYR A 341
TRP A 449
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
 0.46A 1lf9A-6fhwA:
8.1		 1lf9A-6fhwA:
8.19
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.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		5 / 12 ALA A  67
TYR A  76
TRP A 149
GLU A 209
TYR A 341
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.9A)
ACR  A 801 ( 3.9A)
 0.91A 1lf9A-6fhwA:
8.1		 1lf9A-6fhwA:
8.19
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.
1LF9_A_ACRA700_1
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		5 / 12 ASP A  83
GLN A 153
GLU A 209
ARG A 335
TYR A 341
 ACR  A 801 (-2.7A)
None
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
 1.30A 1lf9A-6fhwA:
8.1		 1lf9A-6fhwA:
8.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_A_ACRA700_2
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 4 TRP A 429
GLU A 430
TRP A 591
LEU A 653
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.21A 1lf9A-1ulvA:
53.0		 1lf9A-1ulvA:
30.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_2
(GLUCOAMYLASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 4 TRP A 209
GLU A 210
TRP A 362
LEU A 471
 None
ACR  A 995 (-3.7A)
None
None
 0.36A 1lf9A-2f6dA:
29.6		 1lf9A-2f6dA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_A_ACRA700_2
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 4 TRP A 207
GLU A 208
TRP A 347
LEU A 447
 None
ACR  A 801 (-3.9A)
None
None
 0.54A 1lf9A-6fhwA:
8.1		 1lf9A-6fhwA:
8.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 307
TRP A 330
ASP A 333
GLN A 370
GLU A 427
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
None
 1.29A 1lf9B-1ulvA:
53.0		 1lf9B-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		8 / 12 ALA A 307
TRP A 330
GLN A 384
GLU A 431
ASN A 513
ARG A 567
TYR A 573
TRP A 591
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
None
ACR  A3000 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
 1.24A 1lf9B-1ulvA:
53.0		 1lf9B-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		11 / 12 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLN A 370
GLU A 431
ASN A 513
ARG A 567
TYR A 573
TRP A 591
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
 0.35A 1lf9B-1ulvA:
53.0		 1lf9B-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		6 / 12 ARG A 332
GLN A 426
ASN A 513
ARG A 567
TYR A 573
TRP A 591
 ACR  A3000 (-3.7A)
ACR  A3000 ( 3.8A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
 1.28A 1lf9B-1ulvA:
53.0		 1lf9B-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ASP A 333
GLN A 380
ASN A 513
TYR A 573
TRP A 591
 ACR  A3000 (-3.1A)
ACR  A3000 ( 4.9A)
ACR  A3000 (-3.5A)
ACR  A3000 (-3.7A)
None
 1.30A 1lf9B-1ulvA:
53.0		 1lf9B-1ulvA:
30.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		9 / 12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
GLU A 211
ARG A 345
TYR A 351
TRP A 362
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
 0.42A 1lf9B-2f6dA:
29.5		 1lf9B-2f6dA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		5 / 12 ALA A  54
TYR A  63
TRP A 139
GLU A 211
TYR A 351
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.5A)
ACR  A 995 ( 3.7A)
 0.91A 1lf9B-2f6dA:
29.5		 1lf9B-2f6dA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		9 / 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
GLU A 209
ARG A 335
TYR A 341
TRP A 347
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
 0.41A 1lf9B-6fhwA:
8.1		 1lf9B-6fhwA:
8.19
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.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		5 / 12 ALA A  67
TYR A  76
TRP A 149
GLU A 209
TYR A 341
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.9A)
ACR  A 801 ( 3.9A)
 0.90A 1lf9B-6fhwA:
8.1		 1lf9B-6fhwA:
8.19
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.
1LF9_B_ACRB701_1
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		6 / 12 ASP A  83
GLN A 153
GLU A 209
ARG A 335
TYR A 341
TRP A 347
 ACR  A 801 (-2.7A)
None
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
 1.29A 1lf9B-6fhwA:
8.1		 1lf9B-6fhwA:
8.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1LF9_B_ACRB701_2
(GLUCOAMYLASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 4 TRP A 429
GLU A 430
LEU A 653
TRP A 655
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.32A 1lf9B-1ulvA:
53.0		 1lf9B-1ulvA:
30.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_2
(GLUCOAMYLASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 4 TRP A 209
GLU A 210
LEU A 471
TRP A 473
 None
ACR  A 995 (-3.7A)
None
None
 0.47A 1lf9B-2f6dA:
29.5		 1lf9B-2f6dA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LF9_B_ACRB701_2
(GLUCOAMYLASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 4 TRP A 207
GLU A 208
LEU A 447
TRP A 449
 None
ACR  A 801 (-3.9A)
None
None
 0.60A 1lf9B-6fhwA:
8.1		 1lf9B-6fhwA:
8.19
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.
1MXD_A_ACRA735_1
(ALPHA AMYLASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		8 / 12 TRP A  46
TYR A  50
HIS A  89
ARG A 172
LYS A 177
GLU A 200
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
ACR  A 598 (-3.8A)
CL  A 900 (-4.1A)
None
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.69A 1mxdA-1kxhA:
30.2		 1mxdA-1kxhA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.23A 1p6kA-4uacA:
undetectable		 1p6kA-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.19A 1p6kB-4uacA:
undetectable		 1p6kB-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK2_A_ACAA91_1
(TISSUE-TYPE
PLASMINOGEN
ACTIVATOR)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 8 TYR A 292
ASP A 518
HIS A 612
TRP A 613
 None
ACR  A1015 (-3.1A)
None
ACR  A1015 (-4.8A)
 1.22A 1pk2A-5nn8A:
undetectable		 1pk2A-5nn8A:
6.49
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.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.25A 1rs6B-4uacA:
undetectable		 1rs6B-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.15A 1rs7B-4uacA:
undetectable		 1rs7B-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
ILE A 318
VAL A 348
ALA A 349
PHE A 352
 ACR  A 700 (-3.2A)
None
None
None
None
 0.94A 1uduB-1lf9A:
undetectable		 1uduB-1lf9A:
18.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ULV_A_ACRA3000_1
(GLUCODEXTRANASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		11 / 12 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLN A 434
GLU A 439
ASN A 521
ARG A 575
TYR A 581
TRP A 599
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 ( 3.9A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.4A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
 0.51A 1ulvA-1lf9A:
53.0		 1ulvA-1lf9A:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ULV_A_ACRA3000_1
(GLUCODEXTRANASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		6 / 12 ARG A 343
GLN A 380
ASN A 521
ARG A 575
TYR A 581
TRP A 599
 ACR  A 700 (-3.6A)
ACR  A 700 (-3.2A)
ACR  A 700 (-3.4A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
 1.33A 1ulvA-1lf9A:
53.0		 1ulvA-1lf9A:
30.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_1
(GLUCODEXTRANASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		9 / 12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
GLU A 211
ARG A 345
TYR A 351
TRP A 362
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
 0.49A 1ulvA-2f6dA:
31.1		 1ulvA-2f6dA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_1
(GLUCODEXTRANASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		9 / 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
GLU A 209
ARG A 335
TYR A 341
TRP A 347
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
 0.48A 1ulvA-6fhwA:
33.7		 1ulvA-6fhwA:
6.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 5 GLN A 380
TRP A 437
GLU A 438
LEU A 652
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
None
 0.35A 1ulvA-1lf9A:
53.0		 1ulvA-1lf9A:
30.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 5 GLN A 143
GLU A 210
LEU A 364
TRP A 362
 None
ACR  A 995 (-3.7A)
None
None
 1.44A 1ulvA-2f6dA:
31.1		 1ulvA-2f6dA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 5 TRP A 209
GLU A 210
LEU A 471
TRP A 473
 None
ACR  A 995 (-3.7A)
None
None
 0.38A 1ulvA-2f6dA:
31.1		 1ulvA-2f6dA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 5 GLN A 153
GLU A 208
LEU A 349
TRP A 347
 None
ACR  A 801 (-3.9A)
None
None
 1.44A 1ulvA-6fhwA:
33.6		 1ulvA-6fhwA:
6.85
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.
1ULV_A_ACRA3000_2
(GLUCODEXTRANASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 5 TRP A 207
GLU A 208
LEU A 447
TRP A 449
 None
ACR  A 801 (-3.9A)
None
None
 0.48A 1ulvA-6fhwA:
33.6		 1ulvA-6fhwA:
6.85
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.
1XR2_B_C2FB1201_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 8 LYS A1460
THR A1528
SER A1166
GLU A1543
 ACR  A   1 ( 3.7A)
ACR  A   1 ( 4.6A)
None
None
 1.42A 1xr2B-3topA:
8.0		 1xr2B-3topA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 PHE A 263
ASN A 264
GLU A 246
GLY A 247
 None
None
ACR  A 501 (-3.8A)
None
 1.09A 1ykiA-4uacA:
undetectable
1ykiB-4uacA:
undetectable		 1ykiA-4uacA:
20.51
1ykiB-4uacA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.27A 1zzqA-4uacA:
undetectable		 1zzqA-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.22A 1zzqB-4uacA:
undetectable		 1zzqB-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.20A 1zzuA-4uacA:
undetectable		 1zzuA-4uacA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.20A 1zzuB-4uacA:
undetectable		 1zzuB-4uacA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		4 / 8 TYR A  50
SER A  35
TYR A 305
HIS A 263
 ACR  A 598 (-4.5A)
None
None
None
 1.36A 2bteA-1kxhA:
0.0		 2bteA-1kxhA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BTE_D_LEUD1893_0
(AMINOACYL-TRNA
SYNTHETASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		4 / 8 TYR A  50
SER A  35
TYR A 305
HIS A 263
 ACR  A 598 (-4.5A)
None
None
None
 1.35A 2bteD-1kxhA:
undetectable		 2bteD-1kxhA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
 0.59A 2f6dA-1lf9A:
29.5		 2f6dA-1lf9A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		10 / 12 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.30A 2f6dA-1lf9A:
29.5		 2f6dA-1lf9A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TYR A 337
TRP A 390
TYR A 581
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
None
 0.87A 2f6dA-1lf9A:
29.5		 2f6dA-1lf9A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
 0.70A 2f6dA-1ulvA:
31.1		 2f6dA-1ulvA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		10 / 12 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
GLU A 628
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.49A 2f6dA-1ulvA:
31.1		 2f6dA-1ulvA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		12 / 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.1A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
ACR  A 801 (-4.4A)
 0.35A 2f6dA-6fhwA:
45.3		 2f6dA-6fhwA:
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.
2F6D_A_ACRA995_2
(GLUCOAMYLASE GLU1)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		4 / 4 TRP A 437
GLU A 438
LEU A 652
TRP A 654
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
None
 0.46A 2f6dA-1lf9A:
29.5		 2f6dA-1lf9A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_2
(GLUCOAMYLASE GLU1)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 4 TRP A 429
GLU A 430
LEU A 653
TRP A 655
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.38A 2f6dA-1ulvA:
31.1		 2f6dA-1ulvA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_2
(GLUCOAMYLASE GLU1)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 4 TRP A 207
GLU A 208
LEU A 447
TRP A 449
 None
ACR  A 801 (-3.9A)
None
None
 0.28A 2f6dA-6fhwA:
45.3		 2f6dA-6fhwA:
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 7 ASN A 421
ASP A 420
THR A 446
GLY A 447
 None
ACR  A 664 (-2.8A)
None
None
 1.06A 2f6dA-3pocA:
undetectable		 2f6dA-3pocA:
22.49
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 8 PHE A 476
TRP A 432
TYR A 438
GLY A 429
 None
ACR  A1001 ( 4.6A)
None
None
 0.93A 2gssA-3welA:
undetectable		 2gssA-3welA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 8 PHE A 476
TRP A 432
TYR A 438
GLY A 429
 None
ACR  A1001 ( 4.6A)
None
None
 0.92A 2gssB-3welA:
undetectable		 2gssB-3welA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H42_C_VIAC903_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
ILE A 318
VAL A 348
ALA A 349
PHE A 352
 ACR  A 700 (-3.2A)
None
None
None
None
 0.88A 2h42C-1lf9A:
1.0		 2h42C-1lf9A:
19.37
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 11 GLY A1540
ASP A1526
ASN A1527
GLY A1553
PHE A1559
 None
ACR  A   1 (-2.8A)
None
None
ACR  A   1 (-4.3A)
 1.09A 2hmaA-3topA:
undetectable		 2hmaA-3topA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		5 / 11 TYR A  50
GLN A  51
HIS A 263
ASP A 264
TRP A  46
 ACR  A 598 (-4.5A)
ACR  A 598 (-3.7A)
None
ACR  A 598 (-3.1A)
None
 0.89A 2owcA-1kxhA:
13.2		 2owcA-1kxhA:
21.50
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.
2OWW_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		5 / 11 TYR A  50
GLN A  51
HIS A 263
ASP A 264
TRP A  46
 ACR  A 598 (-4.5A)
ACR  A 598 (-3.7A)
None
ACR  A 598 (-3.1A)
None
 0.90A 2owwA-1kxhA:
13.1		 2owwA-1kxhA:
21.50
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 ASP A  73
ASP A 197
ILE A 198
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.24A 2qmjA-3pocA:
35.8		 2qmjA-3pocA:
24.92
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		9 / 12 ASP A  73
ASP A 197
ILE A 198
ILE A 234
TRP A 271
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.35A 2qmjA-3pocA:
35.8		 2qmjA-3pocA:
24.92
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ASP A 420
ASP A 236
ILE A 234
ILE A 198
ASP A  73
 ACR  A 664 (-2.8A)
None
None
ACR  A 664 (-3.5A)
None
 1.17A 2qmjA-3pocA:
35.8		 2qmjA-3pocA:
24.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1157
ASP A1279
ILE A1280
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.22A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ASP A1279
ILE A1280
ILE A1315
TRP A1355
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.39A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1526
ASP A1317
ILE A1315
ILE A1280
ASP A1157
 ACR  A   1 (-2.8A)
ACR  A   1 ( 4.6A)
None
ACR  A   1 (-4.1A)
ACR  A   1 (-2.6A)
 1.08A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASN A 237
ASP A 469
ARG A 552
ASP A 568
ALA A 570
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
None
 1.20A 2qmjA-3welA:
51.8		 2qmjA-3welA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 ASP A 232
ASN A 237
ASP A 357
ILE A 358
ILE A 396
ASP A 469
ARG A 552
ASP A 568
PHE A 601
ALA A 602
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 ( 4.4A)
ACR  A1001 (-4.1A)
 0.68A 2qmjA-3welA:
51.8		 2qmjA-3welA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 ASP A 232
ASP A 357
ILE A 358
ILE A 396
TRP A 432
ASP A 469
ARG A 552
ASP A 568
PHE A 601
ALA A 602
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 ( 4.4A)
ACR  A1001 (-4.1A)
 0.31A 2qmjA-3welA:
51.8		 2qmjA-3welA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 568
ASP A 398
ILE A 396
ILE A 358
ASP A 232
 ACR  A1001 (-2.7A)
None
ACR  A1001 (-4.9A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
 1.13A 2qmjA-3welA:
51.8		 2qmjA-3welA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 282
ASP A 404
ILE A 441
TRP A 481
ASP A 518
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.25A 2qmjA-5nn8A:
51.4		 2qmjA-5nn8A:
44.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QMJ_A_ACRA1001_2
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 6 TYR A1251
TRP A1418
MET A1421
TRP A1523
THR A1528
 ACR  A   1 ( 4.1A)
None
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
ACR  A   1 ( 4.6A)
 0.31A 2qmjA-3topA:
48.8		 2qmjA-3topA:
43.12
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ASP A  73
ASP A 197
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.43A 2x2iA-3pocA:
35.1		 2x2iA-3pocA:
24.15
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 ASP A1157
GLN A1158
ASP A1279
ASP A1420
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.8A)
ACR  A   1 (-3.2A)
ACR  A   1 (-3.6A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.00A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 232
ASP A 357
ASP A 469
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.41A 2x2iA-3welA:
3.9		 2x2iA-3welA:
24.57
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 282
ASP A 404
ASP A 518
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.54A 2x2iA-5nn8A:
37.0		 2x2iA-5nn8A:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 6 MET A1421
ARG A1510
TRP A1523
THR A1586
 ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
None
 0.85A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 6 TRP A1418
MET A1421
ARG A1510
TRP A1523
 None
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
 0.58A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_A_QPSA1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 6 TRP A 467
MET A 470
ARG A 552
TRP A 565
 None
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
 0.66A 2x2iA-3welA:
32.8		 2x2iA-3welA:
24.57
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.
2X2I_A_QPSA1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 6 TRP A 516
MET A 519
ARG A 600
TRP A 613
 None
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
 0.44A 2x2iA-5nn8A:
37.0		 2x2iA-5nn8A:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ASP A  73
ASP A 197
MET A 308
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.46A 2x2iB-3pocA:
30.5		 2x2iB-3pocA:
24.15
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		8 / 12 ASP A1157
GLN A1158
ASP A1279
ASP A1420
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.8A)
ACR  A   1 (-3.2A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.96A 2x2iB-3topA:
32.8		 2x2iB-3topA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 232
ASP A 357
ASP A 469
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.46A 2x2iB-3welA:
37.6		 2x2iB-3welA:
24.57
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 12 ASP A 282
ASP A 404
ASP A 518
MET A 519
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.62A 2x2iB-5nn8A:
32.3		 2x2iB-5nn8A:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_B_QPSB1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 6 TRP A1418
ARG A1510
TRP A1523
THR A1586
 None
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
None
 1.04A 2x2iB-3topA:
32.8		 2x2iB-3topA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_C_QPSC1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ASP A  73
ASP A 197
MET A 308
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.40A 2x2iC-3pocA:
35.1		 2x2iC-3pocA:
24.15
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.
2X2I_C_QPSC1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		8 / 12 ASP A1157
GLN A1158
ASP A1279
ASP A1420
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.8A)
ACR  A   1 (-3.2A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.97A 2x2iC-3topA:
32.7		 2x2iC-3topA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_C_QPSC1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 232
ASP A 357
ASP A 469
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.42A 2x2iC-3welA:
35.4		 2x2iC-3welA:
24.57
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.
2X2I_C_QPSC1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 12 ASP A 282
ASP A 404
ASP A 518
MET A 519
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.53A 2x2iC-5nn8A:
36.9		 2x2iC-5nn8A:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ASP A  73
ASP A 197
MET A 308
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.41A 2x2iD-3pocA:
30.4		 2x2iD-3pocA:
24.15
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.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		8 / 12 ASP A1157
GLN A1158
ASP A1279
ASP A1420
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.8A)
ACR  A   1 (-3.2A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.95A 2x2iD-3topA:
34.4		 2x2iD-3topA:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 232
ASP A 357
ASP A 469
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.41A 2x2iD-3welA:
38.3		 2x2iD-3welA:
24.57
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.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 12 ASP A 282
ASP A 404
ASP A 518
MET A 519
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.57A 2x2iD-5nn8A:
32.2		 2x2iD-5nn8A:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_D_QPSD1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3jzj ACARBOSE/MALTOSE
BINDING PROTEIN GACH
(Streptomyces
glaucescens) 		4 / 5 LEU A 367
TYR A 189
ARG A 358
TRP A 360
 None
None
ACR  A 405 (-2.5A)
None
 1.48A 2x2iD-3jzjA:
0.0		 2x2iD-3jzjA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7H_B_SAMB530_1
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		3 / 3 TYR A 573
GLU A 628
THR A 310
 ACR  A3000 (-3.7A)
None
None
 0.94A 2y7hB-1ulvA:
undetectable		 2y7hB-1ulvA:
20.76
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 6gne -
(-) 		5 / 12 SER A 238
VAL A 244
LEU A  43
HIS A 160
LEU A  50
 None
ACR  A 602 (-4.3A)
ACR  A 602 ( 4.7A)
None
None
 1.38A 2zlcA-6gneA:
undetectable		 2zlcA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A25_A_SAMA279_1
(UNCHARACTERIZED
PROTEIN PH0793)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		3 / 3 MET A 410
GLU A  55
ASP A 420
 None
None
ACR  A 664 (-2.8A)
 0.95A 3a25A-3pocA:
undetectable		 3a25A-3pocA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.68A 3aicA-1kxhA:
8.3		 3aicA-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.68A 3aicB-1kxhA:
8.3		 3aicB-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
TYR A  50
 CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
ACR  A 598 (-4.5A)
 0.73A 3aicC-1kxhA:
8.5		 3aicC-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.75A 3aicD-1kxhA:
8.9		 3aicD-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.72A 3aicE-1kxhA:
8.5		 3aicE-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.69A 3aicF-1kxhA:
8.2		 3aicF-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.68A 3aicG-1kxhA:
8.9		 3aicG-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 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)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 LEU A 139
ARG A 172
ALA A 175
GLU A 200
HIS A 263
ASP A 264
 None
CL  A 900 (-4.1A)
ACR  A 598 (-3.7A)
ACR  A 598 (-2.8A)
None
ACR  A 598 (-3.1A)
 0.72A 3aicH-1kxhA:
8.5		 3aicH-1kxhA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_A_SAMA238_1
(N,N-DIMETHYLTRANSFER
ASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		3 / 3 TYR A 326
GLU A 431
ASP A 510
 ACR  A3000 (-3.9A)
ACR  A3000 (-3.5A)
None
 0.74A 3bxoA-1ulvA:
2.4		 3bxoA-1ulvA:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BXO_B_SAMB238_1
(N,N-DIMETHYLTRANSFER
ASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		3 / 3 TYR A 326
GLU A 431
ASP A 510
 ACR  A3000 (-3.9A)
ACR  A3000 (-3.5A)
None
 0.65A 3bxoB-1ulvA:
2.9		 3bxoB-1ulvA:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN8_A_DEXA247_2
(GLUCOCORTICOID
RECEPTOR 2)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		3 / 3 MET A 196
MET A 308
PHE A 304
 None
ACR  A 664 ( 3.8A)
None
 1.35A 3gn8A-3pocA:
undetectable		 3gn8A-3pocA:
16.49
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.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		9 / 12 ASP A 197
ILE A 198
ILE A 234
TRP A 271
MET A 308
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.53A 3l4wA-3pocA:
35.7		 3l4wA-3pocA:
24.92
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.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 ASP A 197
ILE A 198
ILE A 234
TRP A 271
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.84A 3l4wA-3pocA:
35.7		 3l4wA-3pocA:
24.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1279
ILE A1280
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.42A 3l4wA-3topA:
48.6		 3l4wA-3topA:
43.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		12 / 12 TYR A1251
ASP A1279
ILE A1280
ILE A1315
TRP A1355
TRP A1418
ASP A1420
MET A1421
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 ( 4.1A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.62A 3l4wA-3topA:
48.6		 3l4wA-3topA:
43.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 ASP A 357
ILE A 358
ILE A 396
TRP A 432
TRP A 467
ASP A 469
MET A 470
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.53A 3l4wA-3welA:
49.3		 3l4wA-3welA:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 404
ILE A 441
TRP A 481
TRP A 516
ASP A 518
MET A 519
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.50A 3l4wA-5nn8A:
51.1		 3l4wA-5nn8A:
44.37
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.
3MBG_A_ACTA207_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 7 LEU A 208
ASP A 288
ARG A 345
ALA A 290
 None
None
ACR  A 995 (-3.0A)
None
 1.14A 3mbgA-2f6dA:
undetectable
3mbgB-2f6dA:
undetectable		 3mbgA-2f6dA:
12.60
3mbgB-2f6dA:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBG_C_ACTC800_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		3 / 3 ASP A 288
ARG A 345
ALA A 290
 None
ACR  A 995 (-3.0A)
None
 0.80A 3mbgC-2f6dA:
undetectable		 3mbgC-2f6dA:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 8 GLU A 209
ARG A 271
ARG A 335
ASP A 275
 ACR  A 801 (-3.9A)
None
ACR  A 801 (-2.8A)
None
 1.19A 3mjrD-6fhwA:
undetectable		 3mjrD-6fhwA:
14.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.08A 3n62A-4uacA:
undetectable		 3n62A-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N62_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.10A 3n62B-4uacA:
undetectable		 3n62B-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.17A 3n66B-4uacA:
undetectable		 3n66B-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 8 PHE A 476
TRP A 432
TYR A 438
GLY A 429
 None
ACR  A1001 ( 4.6A)
None
None
 0.91A 3n9jA-3welA:
undetectable		 3n9jA-3welA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		5 / 11 GLU A 432
TYR A 348
GLY A 334
ALA A 332
ASP A 339
 ACR  A 801 (-4.4A)
None
None
None
None
 1.21A 3nmuB-6fhwA:
undetectable
3nmuJ-6fhwA:
undetectable		 3nmuB-6fhwA:
undetectable
3nmuJ-6fhwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXC_A_ROCA401_2
(PROTEASE)		 3jzj ACARBOSE/MALTOSE
BINDING PROTEIN GACH
(Streptomyces
glaucescens) 		3 / 3 ARG A  81
LEU A 292
THR A 329
 ACR  A 405 (-3.0A)
None
None
 0.79A 3oxcA-3jzjA:
undetectable		 3oxcA-3jzjA:
13.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 ASP A  73
ASP A 197
ILE A 198
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.38A 3phaA-3pocA:
62.4		 3phaA-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 ASP A  73
ASP A 197
ILE A 198
ILE A 234
TRP A 271
ARG A 404
TRP A 417
ASP A 420
LYS A 422
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.36A 3phaA-3pocA:
62.4		 3phaA-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1157
ASP A1279
ILE A1280
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.36A 3phaA-3topA:
37.4		 3phaA-3topA:
24.38
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		11 / 12 ASP A1157
ASP A1279
ILE A1280
ILE A1315
TRP A1355
ASP A1420
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.41A 3phaA-3topA:
37.4		 3phaA-3topA:
24.38
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1526
ASP A1317
ILE A1315
ILE A1280
ASP A1157
 ACR  A   1 (-2.8A)
ACR  A   1 ( 4.6A)
None
ACR  A   1 (-4.1A)
ACR  A   1 (-2.6A)
 1.07A 3phaA-3topA:
37.4		 3phaA-3topA:
24.38
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 232
ASP A 357
ILE A 358
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.50A 3phaA-3welA:
42.1		 3phaA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 ASP A 232
ASP A 357
ILE A 358
ILE A 396
TRP A 432
ASP A 469
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.37A 3phaA-3welA:
42.1		 3phaA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 568
ASP A 398
ILE A 396
ILE A 358
ASP A 232
 ACR  A1001 (-2.7A)
None
ACR  A1001 (-4.9A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
 1.13A 3phaA-3welA:
42.1		 3phaA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ASP A 282
ASP A 404
ILE A 441
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.40A 3phaA-5nn8A:
36.1		 3phaA-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 282
ASP A 404
ILE A 441
TRP A 481
ASP A 518
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.40A 3phaA-5nn8A:
36.1		 3phaA-5nn8A:
24.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_A_ACRA701_2
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 5 PRO A  75
ILE A  76
TRP A 305
MET A 308
 None
None
None
ACR  A 664 ( 3.8A)
 0.30A 3phaA-3pocA:
62.4		 3phaA-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		9 / 12 ASP A  73
ILE A  76
ASP A 197
ILE A 198
ARG A 404
ASP A 420
LYS A 422
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.48A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 ASP A  73
ILE A  76
ASP A 197
ILE A 198
ILE A 234
TRP A 271
ARG A 404
ASP A 420
LYS A 422
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.28A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ASP A 420
ASP A 236
ILE A 234
ILE A 198
ASP A  73
 ACR  A 664 (-2.8A)
None
None
ACR  A 664 (-3.5A)
None
 1.16A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1157
ASP A1279
ILE A1280
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.39A 3phaB-3topA:
37.7		 3phaB-3topA:
24.38
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.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ASP A1279
ILE A1280
ILE A1315
TRP A1355
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.45A 3phaB-3topA:
37.7		 3phaB-3topA:
24.38
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.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 232
ASP A 357
ILE A 358
ILE A 396
TRP A 432
ASP A 469
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.32A 3phaB-3welA:
32.4		 3phaB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 568
ASP A 398
ILE A 396
ILE A 358
ASP A 232
 ACR  A1001 (-2.7A)
None
ACR  A1001 (-4.9A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
 1.14A 3phaB-3welA:
32.4		 3phaB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ASP A 282
ASP A 404
ILE A 441
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.38A 3phaB-5nn8A:
44.0		 3phaB-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 282
ASP A 404
ILE A 441
TRP A 481
ASP A 518
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.43A 3phaB-5nn8A:
44.0		 3phaB-5nn8A:
24.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_B_ACRB701_2
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 5 PRO A  75
TRP A 305
MET A 308
TRP A 417
 None
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
 0.30A 3phaB-3pocA:
62.6		 3phaB-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_B_ACRB701_2
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 5 PRO A1159
TYR A1251
MET A1421
TRP A1523
 ACR  A   1 (-3.9A)
ACR  A   1 ( 4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
 0.81A 3phaB-3topA:
37.7		 3phaB-3topA:
24.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 ASP A  73
ILE A  76
ASP A 197
ILE A 198
TRP A 271
ARG A 404
TRP A 417
ASP A 420
LYS A 422
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.6A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.38A 3phaC-3pocA:
73.6		 3phaC-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		8 / 12 ASP A  73
ILE A  76
ASP A 197
ILE A 234
ARG A 404
ASP A 420
LYS A 422
PHE A 453
 None
None
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
 1.45A 3phaC-3pocA:
73.6		 3phaC-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ASP A1279
ILE A1280
TRP A1355
ASP A1420
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.42A 3phaC-3topA:
38.3		 3phaC-3topA:
24.38
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1157
ASP A1279
ILE A1315
ARG A1510
ASP A1526
PHE A1559
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
None
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
 1.49A 3phaC-3topA:
38.3		 3phaC-3topA:
24.38
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 232
ASP A 357
ILE A 358
TRP A 432
ASP A 469
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.35A 3phaC-3welA:
36.0		 3phaC-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 232
ASP A 357
ILE A 396
ARG A 552
ASP A 568
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.36A 3phaC-3welA:
36.0		 3phaC-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 282
ASP A 404
ILE A 441
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.34A 3phaC-5nn8A:
42.8		 3phaC-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 282
ASP A 404
TRP A 481
ASP A 518
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.35A 3phaC-5nn8A:
42.8		 3phaC-5nn8A:
24.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 ASP A  73
ILE A  76
ASP A 197
ILE A 198
TRP A 271
MET A 308
ARG A 404
ASP A 420
LYS A 422
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.28A 3phaD-3pocA:
73.9		 3phaD-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		8 / 12 ASP A  73
ILE A  76
ASP A 197
ILE A 234
MET A 308
ASP A 420
LYS A 422
PHE A 453
 None
None
ACR  A 664 (-2.9A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
None
ACR  A 664 (-4.4A)
 1.46A 3phaD-3pocA:
73.9		 3phaD-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ASP A1279
ILE A1280
TRP A1355
ASP A1420
MET A1421
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.39A 3phaD-3topA:
38.7		 3phaD-3topA:
24.38
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.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 232
ASP A 357
ILE A 358
TRP A 432
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.29A 3phaD-3welA:
36.2		 3phaD-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 232
ASP A 357
ILE A 396
MET A 470
ASP A 568
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.40A 3phaD-3welA:
36.2		 3phaD-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 282
ASP A 404
ILE A 441
MET A 519
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.42A 3phaD-5nn8A:
42.9		 3phaD-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 282
ASP A 404
TRP A 481
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.35A 3phaD-5nn8A:
42.9		 3phaD-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1355
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.42A 3pocA-3topA:
38.6		 3pocA-3topA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		8 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1355
TRP A1418
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.91A 3pocA-3topA:
38.6		 3pocA-3topA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 357
ILE A 396
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.41A 3pocA-3welA:
36.5		 3pocA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 432
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.40A 3pocA-3welA:
36.5		 3pocA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		9 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 432
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.85A 3pocA-3welA:
36.5		 3pocA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 404
ILE A 441
MET A 519
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.47A 3pocA-5nn8A:
42.7		 3pocA-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 TRP A 376
ASP A 404
ILE A 441
TRP A 481
MET A 519
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.67A 3pocA-5nn8A:
42.7		 3pocA-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 12 TRP A 376
ASP A 404
ILE A 441
TRP A 481
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 1.02A 3pocA-5nn8A:
42.7		 3pocA-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1355
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.42A 3pocB-3topA:
38.7		 3pocB-3topA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1355
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.99A 3pocB-3topA:
38.7		 3pocB-3topA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 357
ILE A 396
MET A 470
ARG A 552
ASP A 568
PHE A 601
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.49A 3pocB-3welA:
40.3		 3pocB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 432
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.38A 3pocB-3welA:
40.3		 3pocB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		9 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 432
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.88A 3pocB-3welA:
40.3		 3pocB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 404
ILE A 441
MET A 519
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.49A 3pocB-5nn8A:
45.4		 3pocB-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 TRP A 376
ASP A 404
ILE A 441
TRP A 481
MET A 519
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.62A 3pocB-5nn8A:
45.4		 3pocB-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 12 TRP A 376
ASP A 404
ILE A 441
TRP A 481
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 1.03A 3pocB-5nn8A:
45.4		 3pocB-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 8 TYR A 581
ALA A  35
SER A 322
TYR A 337
SER A 320
 ACR  A 700 (-3.7A)
None
None
ACR  A 700 (-4.3A)
None
 1.31A 3rodA-1lf9A:
undetectable		 3rodA-1lf9A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_B_NCAB302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 9 TYR A 581
ALA A  35
SER A 322
TYR A 337
SER A 320
 ACR  A 700 (-3.7A)
None
None
ACR  A 700 (-4.3A)
None
 1.45A 3rodB-1lf9A:
0.0		 3rodB-1lf9A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		4 / 5 SER A  59
PRO A  52
TYR A  50
VAL A  53
 None
None
ACR  A 598 (-4.5A)
None
 1.25A 3sufC-1kxhA:
undetectable		 3sufC-1kxhA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 6 ARG A  69
GLN A 143
PRO A 147
LEU A 149
 ACR  A 995 (-3.7A)
None
None
None
 1.24A 3tgvD-2f6dA:
undetectable		 3tgvD-2f6dA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		10 / 12 ASP A  73
PRO A  75
ASP A 197
ILE A 234
TRP A 271
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.64A 3topA-3pocA:
38.6		 3topA-3pocA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ASP A  73
TRP A 271
MET A 308
ASP A 420
PHE A 453
 None
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
 1.30A 3topA-3pocA:
38.6		 3topA-3pocA:
24.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 232
ASP A 357
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.36A 3topA-3welA:
45.0		 3topA-3welA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 232
TRP A 432
MET A 470
ASP A 568
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.47A 3topA-3welA:
45.0		 3topA-3welA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 282
ASP A 404
ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.43A 3topA-5nn8A:
48.4		 3topA-5nn8A:
39.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 PRO A 285
ASP A 404
ILE A 441
ASP A 518
PHE A 649
HIS A 674
 None
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 1.28A 3topA-5nn8A:
48.4		 3topA-5nn8A:
39.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		10 / 12 ASP A  73
LYS A  81
ASP A 197
ILE A 234
TRP A 271
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
None
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.63A 3topB-3pocA:
38.6		 3topB-3pocA:
24.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 232
ASP A 357
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.36A 3topB-3welA:
45.1		 3topB-3welA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 282
ASP A 404
ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.43A 3topB-5nn8A:
48.4		 3topB-5nn8A:
39.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ALA A 448
ASN A 431
ASP A 197
ILE A 234
ASP A 449
 None
None
ACR  A 664 (-2.9A)
None
None
 1.44A 3w37A-3pocA:
35.7		 3w37A-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ALA A 448
ASP A 197
ILE A 234
TRP A 305
ASP A 449
 None
ACR  A 664 (-2.9A)
None
None
None
 1.26A 3w37A-3pocA:
35.7		 3w37A-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		8 / 12 ASP A  73
ASP A 197
ILE A 198
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.31A 3w37A-3pocA:
35.7		 3w37A-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		8 / 12 ASP A  73
ASP A 197
ILE A 234
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.28A 3w37A-3pocA:
35.7		 3w37A-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ASP A 197
ILE A 234
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
None
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.89A 3w37A-3pocA:
35.7		 3w37A-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1157
ASP A1279
ILE A1280
MET A1421
ASP A1526
PHE A1559
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
 1.40A 3w37A-3topA:
44.9		 3w37A-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ASP A1279
ILE A1315
TRP A1418
ASP A1420
MET A1421
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
None
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.37A 3w37A-3topA:
44.9		 3w37A-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		9 / 12 ASP A 232
ALA A 234
ASN A 237
ASP A 357
ILE A 358
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.43A 3w37A-3welA:
66.6		 3w37A-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		12 / 12 ASP A 232
ALA A 234
ASN A 237
ASP A 357
ILE A 396
TRP A 467
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.10A 3w37A-3welA:
66.6		 3w37A-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		11 / 12 ASP A 282
ALA A 284
ASP A 404
ILE A 441
TRP A 516
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.29A 3w37A-5nn8A:
47.7		 3w37A-5nn8A:
37.15
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.
3W37_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 5 TRP A 169
ILE A 198
TRP A 271
TRP A 417
 ACR  A 664 (-3.7A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.6A)
ACR  A 664 (-4.6A)
 0.44A 3w37A-3pocA:
35.7		 3w37A-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W37_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 5 PHE A 236
TRP A 329
ILE A 358
TRP A 432
TRP A 565
 ACR  A1001 (-4.9A)
ACR  A1001 (-4.1A)
ACR  A1001 (-3.6A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-4.8A)
 0.17A 3w37A-3welA:
66.6		 3w37A-3welA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ALA A 448
ASN A 431
ASP A 197
ILE A 234
ASP A 449
 None
None
ACR  A 664 (-2.9A)
None
None
 1.42A 3welA-3pocA:
36.4		 3welA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ALA A 448
ASP A 197
ILE A 234
TRP A 305
ASP A 449
 None
ACR  A 664 (-2.9A)
None
None
None
 1.21A 3welA-3pocA:
36.4		 3welA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 ASP A  73
ASP A 197
ILE A 198
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.31A 3welA-3pocA:
36.4		 3welA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 ASP A  73
ASP A 197
ILE A 234
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.30A 3welA-3pocA:
36.4		 3welA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ASP A 197
ILE A 234
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
None
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.89A 3welA-3pocA:
36.4		 3welA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1157
ASP A1279
ILE A1280
ASP A1526
PHE A1559
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
 1.34A 3welA-3topA:
45.0		 3welA-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		9 / 12 ASP A1157
ASP A1279
ILE A1315
TRP A1418
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
None
None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.34A 3welA-3topA:
45.0		 3welA-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 282
ALA A 284
ASP A 404
ILE A 441
TRP A 516
ASP A 518
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.29A 3welA-5nn8A:
47.9		 3welA-5nn8A:
37.15
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.
3WEL_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 6 TRP A 169
ILE A 198
TRP A 271
MET A 308
TRP A 417
 ACR  A 664 (-3.7A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
 0.43A 3welA-3pocA:
36.5		 3welA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEL_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 6 ILE A1280
TRP A1355
MET A1421
TRP A1523
 ACR  A   1 (-4.1A)
ACR  A   1 (-4.4A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
 0.34A 3welA-3topA:
45.0		 3welA-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEL_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 6 TRP A 376
TRP A 481
MET A 519
TRP A 613
 ACR  A1015 ( 4.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.3A)
ACR  A1015 (-4.8A)
 0.66A 3welA-5nn8A:
47.9		 3welA-5nn8A:
37.15
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ALA A 448
ASN A 431
ASP A 197
ILE A 234
ASP A 449
 None
None
ACR  A 664 (-2.9A)
None
None
 1.32A 3wemA-3pocA:
35.2		 3wemA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		8 / 12 ASP A  73
ASP A 197
ILE A 198
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.34A 3wemA-3pocA:
35.2		 3wemA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		9 / 12 ASP A1157
ASP A1279
ILE A1280
ASP A1420
MET A1421
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.41A 3wemA-3topA:
44.5		 3wemA-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		12 / 12 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 358
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.16A 3wemA-3welA:
62.2		 3wemA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		9 / 12 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 396
MET A 470
ASP A 568
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.41A 3wemA-3welA:
62.2		 3wemA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 282
ALA A 284
ASP A 404
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.30A 3wemA-5nn8A:
47.3		 3wemA-5nn8A:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 12 ASP A 282
ALA A 284
ASP A 404
ILE A 441
MET A 519
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.45A 3wemA-5nn8A:
47.3		 3wemA-5nn8A:
37.15
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.
3WEM_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 5 TRP A 169
TRP A 271
TRP A 305
TRP A 417
 ACR  A 664 (-3.7A)
ACR  A 664 (-4.6A)
None
ACR  A 664 (-4.6A)
 1.06A 3wemA-3pocA:
35.4		 3wemA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 5 ILE A 233
TRP A 329
TRP A 432
TRP A 467
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
 0.29A 3wemA-3welA:
62.2		 3wemA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEM_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 5 TRP A 376
TRP A 481
TRP A 516
TRP A 613
 ACR  A1015 ( 4.6A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.8A)
 0.86A 3wemA-5nn8A:
47.3		 3wemA-5nn8A:
37.15
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ALA A 448
ASN A 431
ASP A 197
ILE A 234
ASP A 449
 None
None
ACR  A 664 (-2.9A)
None
None
 1.34A 3wenA-3pocA:
35.3		 3wenA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		8 / 12 ASP A  73
ASP A 197
ILE A 198
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.33A 3wenA-3pocA:
35.3		 3wenA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ASP A 197
ILE A 198
TRP A 305
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.82A 3wenA-3pocA:
35.3		 3wenA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ASP A1279
ILE A1280
TRP A1418
ASP A1420
MET A1421
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.41A 3wenA-3topA:
44.6		 3wenA-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		12 / 12 ASP A 232
ALA A 234
ASN A 237
ASP A 357
ILE A 358
TRP A 467
ASP A 469
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.16A 3wenA-3welA:
65.7		 3wenA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		9 / 12 ASP A 232
ALA A 234
ASN A 237
ASP A 357
ILE A 396
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.45A 3wenA-3welA:
65.7		 3wenA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 12 ASP A 282
ALA A 284
ASP A 404
ILE A 441
MET A 519
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.46A 3wenA-5nn8A:
47.4		 3wenA-5nn8A:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 282
ALA A 284
ASP A 404
TRP A 516
ASP A 518
MET A 519
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.33A 3wenA-5nn8A:
47.4		 3wenA-5nn8A:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEN_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 4 ILE A 233
TRP A 329
TRP A 432
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-4.8A)
 0.32A 3wenA-3welA:
65.7		 3wenA-3welA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ALA A 448
ASN A 431
ASP A 197
ILE A 234
ASP A 449
 None
None
ACR  A 664 (-2.9A)
None
None
 1.32A 3weoA-3pocA:
42.2		 3weoA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 ASP A  73
ASP A 197
ILE A 198
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.33A 3weoA-3pocA:
42.2		 3weoA-3pocA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 12 ASP A 197
ILE A 198
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.75A 3weoA-3pocA:
42.2		 3weoA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		9 / 12 ASP A1157
ASP A1279
ILE A1280
TRP A1418
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.38A 3weoA-3topA:
45.0		 3weoA-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		12 / 12 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 358
TRP A 467
ASP A 469
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.06A 3weoA-3welA:
62.1		 3weoA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		9 / 12 ASP A 232
ALA A 234
PHE A 236
ASN A 237
ASP A 357
ILE A 396
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.38A 3weoA-3welA:
62.1		 3weoA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 282
ALA A 284
ASP A 404
ILE A 441
ASP A 616
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.41A 3weoA-5nn8A:
53.3		 3weoA-5nn8A:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 282
ALA A 284
ASP A 404
TRP A 516
ASP A 518
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.28A 3weoA-5nn8A:
53.3		 3weoA-5nn8A:
37.15
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.
3WEO_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 6 TRP A 169
ILE A 234
TRP A 271
MET A 308
TRP A 417
 ACR  A 664 (-3.7A)
None
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
 0.45A 3weoA-3pocA:
42.3		 3weoA-3pocA:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 6 ILE A1315
TRP A1355
MET A1421
TRP A1523
 None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
 0.36A 3weoA-3topA:
45.0		 3weoA-3topA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 6 ILE A 233
TRP A 329
ILE A 396
TRP A 432
MET A 470
TRP A 565
 GLC  A1002 (-3.9A)
ACR  A1001 (-4.1A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-4.8A)
 0.11A 3weoA-3welA:
62.1		 3weoA-3welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WEO_A_ACRA1001_2
(ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 6 TRP A 376
ILE A 441
TRP A 481
MET A 519
TRP A 613
 ACR  A1015 ( 4.6A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.3A)
ACR  A1015 (-4.8A)
 0.72A 3weoA-5nn8A:
53.3		 3weoA-5nn8A:
37.15
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.
3ZQ8_D_DVAD8_0
(VAL-GRAMICIDIN A)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		3 / 3 TRP A 193
VAL A 372
TRP A 159
 ACR  A 501 (-3.1A)
PEG  A 502 (-4.4A)
None
 1.22A 3zq8C-4uacA:
undetectable
3zq8D-4uacA:
undetectable		 3zq8C-4uacA:
2.95
3zq8D-4uacA:
2.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		3 / 3 ASN A 264
TRP A 267
ASP A 243
 None
ACR  A 501 (-2.7A)
None
 1.19A 4a7tA-4uacA:
undetectable
4a7tF-4uacA:
undetectable		 4a7tA-4uacA:
18.39
4a7tF-4uacA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 ASP A 197
ILE A 234
GLU A 310
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
None
None
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.39A 4b9zA-3pocA:
34.4		 4b9zA-3pocA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1279
ILE A1280
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.22A 4b9zA-3topA:
34.3		 4b9zA-3topA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 ASP A1279
ILE A1315
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.45A 4b9zA-3topA:
34.3		 4b9zA-3topA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 ASP A1279
ILE A1315
ASP A1420
GLU A1423
ARG A1510
ASP A1526
HIS A1584
 ACR  A   1 (-3.2A)
None
ACR  A   1 (-3.6A)
None
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-3.9A)
 1.36A 4b9zA-3topA:
34.3		 4b9zA-3topA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 357
ILE A 358
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.30A 4b9zA-3welA:
38.4		 4b9zA-3welA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 357
ILE A 396
ASP A 469
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.28A 4b9zA-3welA:
38.4		 4b9zA-3welA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 357
ILE A 396
ASP A 469
GLU A 472
ARG A 552
ASP A 568
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
None
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.1A)
 1.50A 4b9zA-3welA:
38.4		 4b9zA-3welA:
25.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		8 / 12 ASP A 404
LEU A 405
ILE A 441
ASP A 518
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.61A 4b9zA-5nn8A:
37.4		 4b9zA-5nn8A:
26.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_C_ZMRC1470_2
(NEURAMINIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		3 / 3 ARG A 629
ARG A 328
TRP A 329
 None
None
ACR  A1001 (-4.1A)
 0.94A 4cpzC-3welA:
undetectable		 4cpzC-3welA:
20.40
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.
4CPZ_E_ZMRE1471_2
(NEURAMINIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		3 / 3 ARG A 629
ARG A 328
TRP A 329
 None
None
ACR  A1001 (-4.1A)
 1.02A 4cpzE-3welA:
undetectable		 4cpzE-3welA:
20.40
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.
4CPZ_H_ZMRH1470_2
(NEURAMINIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		3 / 3 ARG A 629
ARG A 328
TRP A 329
 None
None
ACR  A1001 (-4.1A)
 0.90A 4cpzH-3welA:
undetectable		 4cpzH-3welA:
20.40
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.
4FEU_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ASP A 518
ASP A 282
ASP A 645
GLU A 262
HIS A 612
 ACR  A1015 (-3.1A)
ACR  A1015 (-2.6A)
None
None
None
 1.37A 4feuA-5nn8A:
2.5
4feuB-5nn8A:
2.0		 4feuA-5nn8A:
14.51
4feuB-5nn8A:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 8 ASP A 349
ASP A 207
GLU A 456
ASP A 288
 None
None
ACR  A 995 ( 4.6A)
None
 0.99A 4feuD-2f6dA:
undetectable		 4feuD-2f6dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 8 ASP A 339
ASP A 205
GLU A 432
ASP A 275
 None
None
ACR  A 801 (-4.4A)
None
 1.02A 4feuD-6fhwA:
undetectable		 4feuD-6fhwA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 7 ASP A 349
ASP A 207
GLU A 456
ASP A 288
 None
None
ACR  A 995 ( 4.6A)
None
 1.04A 4fevB-2f6dA:
undetectable		 4fevB-2f6dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 7 ASP A 339
ASP A 205
GLU A 432
ASP A 275
 None
None
ACR  A 801 (-4.4A)
None
 1.03A 4fevB-6fhwA:
undetectable		 4fevB-6fhwA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_E_KANE301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 11 HIS A1522
ASP A1420
ASP A1157
ASP A1555
GLU A1136
 None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
None
None
 1.34A 4fevE-3topA:
0.6		 4fevE-3topA:
14.57
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.
4FEV_E_KANE301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 11 HIS A 612
ASP A 518
ASP A 282
ASP A 645
GLU A 262
 None
ACR  A1015 (-3.1A)
ACR  A1015 (-2.6A)
None
None
 1.46A 4fevE-5nn8A:
undetectable		 4fevE-5nn8A:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 7 ASP A 349
ASP A 207
GLU A 456
ASP A 288
 None
None
ACR  A 995 ( 4.6A)
None
 1.06A 4fewB-2f6dA:
undetectable		 4fewB-2f6dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 7 ASP A 339
ASP A 205
GLU A 432
ASP A 275
 None
None
ACR  A 801 (-4.4A)
None
 1.06A 4fewB-6fhwA:
undetectable		 4fewB-6fhwA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 8 ASP A 349
ASP A 207
GLU A 456
ASP A 288
 None
None
ACR  A 995 ( 4.6A)
None
 1.05A 4gkhD-2f6dA:
undetectable		 4gkhD-2f6dA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 6fhw GLUCOAMYLASE P
(Amorphotheca
resinae) 		4 / 8 ASP A 339
ASP A 205
GLU A 432
ASP A 275
 None
None
ACR  A 801 (-4.4A)
None
 1.06A 4gkhD-6fhwA:
undetectable		 4gkhD-6fhwA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_H_KANH301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 10 HIS A 612
ASP A 518
ASP A 282
ASP A 645
GLU A 262
 None
ACR  A1015 (-3.1A)
ACR  A1015 (-2.6A)
None
None
 1.42A 4gkhG-5nn8A:
2.0
4gkhH-5nn8A:
undetectable		 4gkhG-5nn8A:
14.51
4gkhH-5nn8A:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_I_KANI301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 11 ASP A1420
ASP A1157
ASP A1555
GLU A1136
HIS A1522
 ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
None
None
None
 1.40A 4gkhI-3topA:
0.0
4gkhJ-3topA:
2.0		 4gkhI-3topA:
14.57
4gkhJ-3topA:
14.57
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.
4GKH_L_KANL301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 10 HIS A1522
ASP A1420
ASP A1157
ASP A1555
GLU A1136
 None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
None
None
 1.30A 4gkhK-3topA:
0.0
4gkhL-3topA:
0.0		 4gkhK-3topA:
14.57
4gkhL-3topA:
14.57
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.
4GKH_L_KANL301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 10 HIS A 612
ASP A 518
ASP A 282
ASP A 645
GLU A 262
 None
ACR  A1015 (-3.1A)
ACR  A1015 (-2.6A)
None
None
 1.41A 4gkhK-5nn8A:
1.9
4gkhL-5nn8A:
0.7		 4gkhK-5nn8A:
14.51
4gkhL-5nn8A:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 11 HIS A 612
ASP A 518
ASP A 282
ASP A 645
GLU A 262
 None
ACR  A1015 (-3.1A)
ACR  A1015 (-2.6A)
None
None
 1.43A 4gkiC-5nn8A:
undetectable
4gkiD-5nn8A:
undetectable		 4gkiC-5nn8A:
14.51
4gkiD-5nn8A:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_H_KANH301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 10 HIS A1522
ASP A1420
ASP A1157
ASP A1555
GLU A1136
 None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
None
None
 1.34A 4gkiG-3topA:
0.0
4gkiH-3topA:
1.4		 4gkiG-3topA:
14.57
4gkiH-3topA:
14.57
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.
4GKI_L_KANL301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 HIS A1522
ASP A1420
ASP A1157
ASP A1555
GLU A1136
 None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
None
None
 1.42A 4gkiK-3topA:
0.9
4gkiL-3topA:
1.3		 4gkiK-3topA:
14.57
4gkiL-3topA:
14.57
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.
4JSE_A_H4BA804_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 7 MET A1421
VAL A1354
TRP A1355
GLU A1423
 ACR  A   1 (-3.5A)
None
ACR  A   1 (-4.4A)
None
 1.19A 4jseA-3topA:
undetectable
4jseB-3topA:
undetectable		 4jseA-3topA:
18.20
4jseB-3topA:
18.20
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.
4JSE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 7 GLU A1423
MET A1421
VAL A1354
TRP A1355
 None
ACR  A   1 (-3.5A)
None
ACR  A   1 (-4.4A)
 1.19A 4jseA-3topA:
undetectable
4jseB-3topA:
undetectable		 4jseA-3topA:
18.20
4jseB-3topA:
18.20
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 8 ARG A 323
GLN A 380
GLY A 379
THR A 371
 None
ACR  A3000 ( 4.9A)
None
None
 0.95A 4k87A-1ulvA:
undetectable		 4k87A-1ulvA:
18.56
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.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 7 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.19A 4kcnB-4uacA:
undetectable		 4kcnB-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		4 / 7 GLN A 434
THR A 432
THR A 447
MET A 516
 ACR  A 700 ( 3.9A)
None
None
None
 1.13A 4mbsA-1lf9A:
undetectable		 4mbsA-1lf9A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 8 PHE A   5
THR A 472
SER A 470
ASP A  70
 None
None
None
ACR  A 995 (-3.0A)
 1.39A 4qb9D-2f6dA:
undetectable		 4qb9D-2f6dA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 316
GLU A 628
ALA A 650
GLY A  18
TYR A 326
 None
None
None
None
ACR  A3000 (-3.9A)
 1.20A 4r29B-1ulvA:
0.0		 4r29B-1ulvA:
12.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 VAL A 340
TYR A 337
ILE A 304
ILE A 634
SER A 301
 None
ACR  A 700 (-4.3A)
None
None
None
 1.22A 4xudA-1lf9A:
undetectable		 4xudA-1lf9A:
15.69
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.
4XUE_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 VAL A 340
TYR A 337
ILE A 304
ILE A 634
SER A 301
 None
ACR  A 700 (-4.3A)
None
None
None
 1.27A 4xueA-1lf9A:
undetectable		 4xueA-1lf9A:
15.69
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.
4ZJ8_A_SUVA2001_1
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		5 / 12 ALA A 175
SER A 176
VAL A 257
GLN A  33
PHE A   5
 ACR  A 598 (-3.7A)
None
None
None
None
 1.28A 4zj8A-1kxhA:
undetectable		 4zj8A-1kxhA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 7 ALA A 515
GLU A 431
GLY A 572
GLY A 584
 None
ACR  A3000 (-3.5A)
None
None
 0.88A 5e26A-1ulvA:
undetectable
5e26B-1ulvA:
undetectable		 5e26A-1ulvA:
16.72
5e26B-1ulvA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 7 GLU A 431
GLY A 572
GLY A 584
ALA A 515
 ACR  A3000 (-3.5A)
None
None
None
 0.83A 5e26C-1ulvA:
undetectable
5e26D-1ulvA:
undetectable		 5e26C-1ulvA:
16.72
5e26D-1ulvA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		9 / 12 TRP A 169
ASP A 197
ILE A 198
ILE A 234
MET A 308
PHE A 314
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 ( 4.2A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.55A 5iefA-3pocA:
35.4		 5iefA-3pocA:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 TRP A 169
ASP A 197
ILE A 198
ILE A 234
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.87A 5iefA-3pocA:
35.4		 5iefA-3pocA:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1418
ASP A1420
MET A1421
PHE A1427
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
None
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.53A 5iefA-3topA:
38.9		 5iefA-3topA:
27.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1279
ILE A1280
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.46A 5iefA-3topA:
38.9		 5iefA-3topA:
27.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 467
ASP A 469
MET A 470
PHE A 476
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
None
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.45A 5iefA-3welA:
41.2		 5iefA-3welA:
29.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 TRP A 376
ASP A 404
ILE A 441
TRP A 516
ASP A 518
MET A 519
PHE A 525
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
None
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.58A 5iefA-5nn8A:
50.0		 5iefA-5nn8A:
31.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_2
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 4 ARG A 404
TRP A 417
ASP A 449
ARG A 476
 ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
None
ACR  A 664 ( 4.9A)
 0.37A 5iefA-3pocA:
35.4		 5iefA-3pocA:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_2
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 4 ARG A1510
TRP A1523
ASP A1555
ARG A1582
 ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
None
None
 0.29A 5iefA-3topA:
38.9		 5iefA-3topA:
27.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_2
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		4 / 4 ARG A 552
TRP A 565
ASP A 597
ARG A 624
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
None
None
 0.19A 5iefA-3welA:
41.2		 5iefA-3welA:
29.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IEF_A_NBVA1005_2
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 4 ARG A 600
TRP A 613
ASP A 645
ARG A 672
 ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
None
ACR  A1015 ( 4.8A)
 0.18A 5iefA-5nn8A:
50.0		 5iefA-5nn8A:
31.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 6gne -
(-) 		4 / 6 TYR A 248
ASP A 161
ILE A 235
TYR A 505
 None
ACR  A 602 (-3.4A)
None
None
 1.30A 5ih0A-6gneA:
undetectable		 5ih0A-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		4 / 7 GLY A1558
PHE A1560
ARG A1591
ASP A1555
 None
ACR  A   1 (-3.7A)
None
None
 0.97A 5n5dB-3topA:
undetectable		 5n5dB-3topA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		9 / 12 TRP A 169
ASP A 197
ILE A 234
TRP A 271
MET A 308
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.74A 5nn6A-3pocA:
38.2		 5nn6A-3pocA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		7 / 12 TRP A 169
ASP A 197
ILE A 234
TRP A 271
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.95A 5nn6A-3pocA:
38.2		 5nn6A-3pocA:
24.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1279
ILE A1315
TRP A1355
TRP A1418
ASP A1420
MET A1421
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.71A 5nn6A-3topA:
48.3		 5nn6A-3topA:
39.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 TRP A 329
ASP A 357
ILE A 396
TRP A 432
TRP A 467
ASP A 469
MET A 470
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.69A 5nn6A-3welA:
59.8		 5nn6A-3welA:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		12 / 12 TRP A 376
ASP A 404
LEU A 405
ILE A 441
TRP A 481
TRP A 516
ASP A 518
MET A 519
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.63A 5nn6A-5nn8A:
60.6		 5nn6A-5nn8A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ASP A  73
ASP A 197
ILE A 198
ARG A 404
ASP A 420
PHE A 453
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
 1.33A 5nn8A-3pocA:
42.6		 5nn8A-3pocA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		8 / 12 ASP A  73
ASP A 197
ILE A 234
TRP A 271
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.6A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.39A 5nn8A-3pocA:
42.6		 5nn8A-3pocA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ASP A 197
ILE A 234
TRP A 271
TRP A 305
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.92A 5nn8A-3pocA:
42.6		 5nn8A-3pocA:
24.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1157
ASP A1279
ILE A1280
ASP A1526
PHE A1559
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
 1.32A 5nn8A-3topA:
48.4		 5nn8A-3topA:
39.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ASP A1279
ILE A1315
TRP A1355
TRP A1418
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-3.2A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.42A 5nn8A-3topA:
48.4		 5nn8A-3topA:
39.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 232
ASP A 357
ILE A 358
ASP A 568
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.45A 5nn8A-3welA:
47.9		 5nn8A-3welA:
37.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 232
ASP A 357
ILE A 396
TRP A 432
TRP A 467
ASP A 469
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.26A 5nn8A-3welA:
47.9		 5nn8A-3welA:
37.15
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.
5VNC_C_GCSC801_1
(GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2)		 6gne -
(-) 		8 / 10 GLY A  42
HIS A 190
VAL A 244
ASN A 277
LYS A 337
GLU A 412
PRO A 413
GLY A 415
 ADP  A 601 ( 3.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.3A)
ACR  A 602 (-3.3A)
ADP  A 601 (-2.8A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.49A 5vncC-6gneA:
24.0		 5vncC-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.13A 5vunA-4uacA:
undetectable		 5vunA-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.22A 5vunB-4uacA:
undetectable		 5vunB-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.24A 5vuoB-4uacA:
undetectable		 5vuoB-4uacA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		3 / 3 TYR A1167
ASP A1420
ASP A1157
 None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
 0.84A 5x6yA-3topA:
undetectable		 5x6yA-3topA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		5 / 10 ARG A 404
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.42A 5x7pA-3pocA:
21.5		 5x7pA-3pocA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 10 TRP A1418
ASP A1420
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.53A 5x7pA-3topA:
24.7		 5x7pA-3topA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 10 TRP A 467
ASP A 469
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 None
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.57A 5x7pA-3welA:
18.7		 5x7pA-3welA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		7 / 10 TRP A 516
ASP A 518
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 None
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.43A 5x7pA-5nn8A:
33.0		 5x7pA-5nn8A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		3 / 3 GLU A 605
TRP A 437
HIS A 347
 None
ACR  A 700 (-4.8A)
None
 1.12A 5xipA-1lf9A:
0.0		 5xipA-1lf9A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		3 / 3 ASN A 455
VAL A 443
HIS A 447
 None
None
ACR  A 996 (-3.4A)
 0.87A 6a5yD-2f6dA:
undetectable		 6a5yD-2f6dA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		7 / 12 TRP A  46
TYR A  50
HIS A  89
GLU A 207
HIS A 178
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
ACR  A 598 (-3.8A)
None
None
None
ACR  A 598 (-3.1A)
 1.28A 6ag0A-1kxhA:
28.6		 6ag0A-1kxhA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		8 / 12 TRP A  46
TYR A  50
HIS A  89
LEU A 139
LYS A 177
HIS A 178
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
ACR  A 598 (-3.8A)
None
None
None
None
ACR  A 598 (-3.1A)
 0.80A 6ag0A-1kxhA:
28.6		 6ag0A-1kxhA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 TRP A  46
TYR A  50
TYR A 127
LYS A 177
HIS A 263
ASP A 264
 None
ACR  A 598 (-4.5A)
None
None
None
ACR  A 598 (-3.1A)
 1.03A 6ag0A-1kxhA:
28.6		 6ag0A-1kxhA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 TRP A  46
GLU A 207
LYS A 177
HIS A 178
HIS A 263
ASP A 264
 None
None
None
None
None
ACR  A 598 (-3.1A)
 1.42A 6ag0C-1kxhA:
28.8		 6ag0C-1kxhA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		6 / 12 TRP A  46
LEU A 139
LYS A 177
HIS A 178
HIS A 263
ASP A 264
 None
None
None
None
None
ACR  A 598 (-3.1A)
 0.74A 6ag0C-1kxhA:
28.8		 6ag0C-1kxhA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)
([Eubacterium]
rectale) 		4 / 8 GLN A 394
PHE A 189
ASN A 191
ASP A 190
 EDO  A 504 (-3.3A)
None
ACR  A 501 (-3.3A)
EDO  A 504 ( 4.2A)
 1.21A 6auuB-4uacA:
undetectable		 6auuB-4uacA:
22.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 ASP A  73
TRP A 169
ILE A 198
ILE A 234
TRP A 271
TRP A 305
MET A 308
ARG A 404
TRP A 417
PHE A 453
HIS A 478
 None
ACR  A 664 (-3.7A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.19A 6c9xA-3pocA:
63.0		 6c9xA-3pocA:
99.85
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ILE A1280
ILE A1315
TRP A1355
ASP A1420
MET A1421
ARG A1510
TRP A1523
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.41A 6c9xA-3topA:
34.5		 6c9xA-3topA:
24.27
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1157
ILE A1315
MET A1421
ARG A1510
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
None
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.27A 6c9xA-3topA:
34.5		 6c9xA-3topA:
24.27
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ILE A1280
ILE A1315
TRP A1355
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.94A 6c9xA-3topA:
34.5		 6c9xA-3topA:
24.27
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 232
ILE A 396
MET A 470
ARG A 552
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.20A 6c9xA-3welA:
37.5		 6c9xA-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 ASP A 232
TRP A 329
ILE A 358
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-4.1A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.42A 6c9xA-3welA:
37.5		 6c9xA-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		8 / 12 TRP A 329
ILE A 358
ILE A 396
TRP A 432
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.87A 6c9xA-3welA:
37.5		 6c9xA-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ASP A 282
ILE A 441
MET A 519
ARG A 600
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.3A)
 1.05A 6c9xA-5nn8A:
36.2		 6c9xA-5nn8A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 282
TRP A 376
ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
TRP A 613
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.69A 6c9xA-5nn8A:
36.2		 6c9xA-5nn8A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 TRP A 376
ILE A 441
TRP A 481
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 1.06A 6c9xA-5nn8A:
36.2		 6c9xA-5nn8A:
24.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 ASP A  73
TRP A 169
ILE A 198
ILE A 234
TRP A 271
TRP A 305
MET A 308
ARG A 404
TRP A 417
PHE A 453
HIS A 478
 None
ACR  A 664 (-3.7A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.19A 6c9xB-3pocA:
62.9		 6c9xB-3pocA:
99.85
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1157
ILE A1280
ILE A1315
TRP A1355
ASP A1420
MET A1421
ARG A1510
TRP A1523
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.42A 6c9xB-3topA:
37.4		 6c9xB-3topA:
24.27
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1157
ILE A1280
MET A1421
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.39A 6c9xB-3topA:
37.4		 6c9xB-3topA:
24.27
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1157
ILE A1315
MET A1421
ARG A1510
PHE A1559
 ACR  A   1 (-2.6A)
None
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.3A)
 1.14A 6c9xB-3topA:
37.4		 6c9xB-3topA:
24.27
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ILE A1280
ILE A1315
TRP A1355
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.94A 6c9xB-3topA:
37.4		 6c9xB-3topA:
24.27
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 232
ILE A 358
MET A 470
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.43A 6c9xB-3welA:
42.3		 6c9xB-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 232
ILE A 396
MET A 470
ARG A 552
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.3A)
 1.03A 6c9xB-3welA:
42.3		 6c9xB-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 ASP A 232
TRP A 329
ILE A 358
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-4.1A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.43A 6c9xB-3welA:
42.3		 6c9xB-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		8 / 12 TRP A 329
ILE A 358
ILE A 396
TRP A 432
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.87A 6c9xB-3welA:
42.3		 6c9xB-3welA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ASP A 282
ILE A 441
MET A 519
ARG A 600
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.3A)
 1.06A 6c9xB-5nn8A:
36.8		 6c9xB-5nn8A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 282
TRP A 376
ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
TRP A 613
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.70A 6c9xB-5nn8A:
36.8		 6c9xB-5nn8A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 TRP A 376
ILE A 441
TRP A 481
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 1.06A 6c9xB-5nn8A:
36.8		 6c9xB-5nn8A:
24.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		10 / 12 ILE A 198
ILE A 234
TRP A 271
TRP A 305
MET A 308
ARG A 404
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.24A 6c9zA-3pocA:
66.6		 6c9zA-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ILE A 198
MET A 308
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-3.5A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.27A 6c9zA-3pocA:
66.6		 6c9zA-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ILE A1280
MET A1421
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.38A 6c9zA-3topA:
33.4		 6c9zA-3topA:
24.38
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		11 / 12 TYR A1251
ILE A1280
ILE A1315
TRP A1355
ASP A1420
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 ( 4.1A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.42A 6c9zA-3topA:
33.4		 6c9zA-3topA:
24.38
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 TYR A1251
ILE A1280
ILE A1315
TRP A1355
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 ( 4.1A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.96A 6c9zA-3topA:
33.4		 6c9zA-3topA:
24.38
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 TYR A1251
TRP A1355
MET A1421
ASP A1526
PHE A1560
 ACR  A   1 ( 4.1A)
ACR  A   1 (-4.4A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-3.7A)
 1.44A 6c9zA-3topA:
33.4		 6c9zA-3topA:
24.38
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ILE A 358
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.36A 6c9zA-3welA:
35.9		 6c9zA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ILE A 358
ILE A 396
TRP A 432
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.96A 6c9zA-3welA:
35.9		 6c9zA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ILE A 358
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.43A 6c9zA-3welA:
35.9		 6c9zA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ILE A 396
MET A 470
ARG A 552
ASP A 568
PHE A 601
 ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 0.89A 6c9zA-3welA:
35.9		 6c9zA-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ILE A 441
MET A 519
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 0.86A 6c9zA-5nn8A:
34.9		 6c9zA-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.35A 6c9zA-5nn8A:
34.9		 6c9zA-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ILE A 441
TRP A 481
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.99A 6c9zA-5nn8A:
34.9		 6c9zA-5nn8A:
24.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		10 / 12 ASP A  73
ILE A 198
ILE A 234
TRP A 271
TRP A 305
MET A 308
ARG A 404
TRP A 417
PHE A 453
HIS A 478
 None
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.23A 6c9zB-3pocA:
62.4		 6c9zB-3pocA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		6 / 12 ASP A  73
ILE A 198
MET A 308
ARG A 404
PHE A 453
HIS A 478
 None
ACR  A 664 (-3.5A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.27A 6c9zB-3pocA:
62.4		 6c9zB-3pocA:
99.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1157
ILE A1280
MET A1421
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 (-4.1A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.34A 6c9zB-3topA:
34.5		 6c9zB-3topA:
24.38
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1157
ILE A1315
MET A1421
ARG A1510
PHE A1559
 ACR  A   1 (-2.6A)
None
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.3A)
 1.09A 6c9zB-3topA:
34.5		 6c9zB-3topA:
24.38
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		11 / 12 ASP A1157
TYR A1251
ILE A1280
ILE A1315
TRP A1355
ASP A1420
MET A1421
ARG A1510
TRP A1523
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.1A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.45A 6c9zB-3topA:
34.5		 6c9zB-3topA:
24.38
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		5 / 12 ASP A1157
TYR A1251
TRP A1355
MET A1421
PHE A1560
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.1A)
ACR  A   1 (-4.4A)
ACR  A   1 (-3.5A)
ACR  A   1 (-3.7A)
 1.19A 6c9zB-3topA:
34.5		 6c9zB-3topA:
24.38
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 TYR A1251
ILE A1280
ILE A1315
TRP A1355
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 ( 4.1A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.95A 6c9zB-3topA:
34.5		 6c9zB-3topA:
24.38
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 232
ILE A 358
ILE A 396
TRP A 432
ASP A 469
MET A 470
ARG A 552
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.39A 6c9zB-3welA:
37.4		 6c9zB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 232
ILE A 358
MET A 470
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.6A)
ACR  A1001 (-3.3A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.38A 6c9zB-3welA:
37.4		 6c9zB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 12 ASP A 232
ILE A 396
MET A 470
ARG A 552
PHE A 601
 ACR  A1001 (-2.7A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.3A)
 0.98A 6c9zB-3welA:
37.4		 6c9zB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ILE A 358
ILE A 396
TRP A 432
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.94A 6c9zB-3welA:
37.4		 6c9zB-3welA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ASP A 282
ILE A 441
MET A 519
ARG A 600
PHE A 649
 ACR  A1015 (-2.6A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.3A)
 1.00A 6c9zB-5nn8A:
36.1		 6c9zB-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 282
ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
TRP A 613
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.41A 6c9zB-5nn8A:
36.1		 6c9zB-5nn8A:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ILE A 441
TRP A 481
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.98A 6c9zB-5nn8A:
36.1		 6c9zB-5nn8A:
24.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 TRP A 169
ASP A 197
ILE A 198
ILE A 234
TRP A 305
MET A 308
ARG A 404
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.22A 6ca1A-3pocA:
74.9		 6ca1A-3pocA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1279
ILE A1280
ILE A1315
ASP A1420
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.45A 6ca1A-3topA:
38.5		 6ca1A-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.85A 6ca1A-3topA:
38.5		 6ca1A-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		8 / 12 ASP A1279
ILE A1315
ASP A1420
MET A1421
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.46A 6ca1A-3topA:
38.5		 6ca1A-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 357
ILE A 396
MET A 470
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.40A 6ca1A-3welA:
36.4		 6ca1A-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
ASP A 469
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.45A 6ca1A-3welA:
36.4		 6ca1A-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		8 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.85A 6ca1A-3welA:
36.4		 6ca1A-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 404
ILE A 441
MET A 519
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.45A 6ca1A-5nn8A:
42.7		 6ca1A-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 TRP A 376
ASP A 404
ILE A 441
ASP A 518
MET A 519
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.69A 6ca1A-5nn8A:
42.7		 6ca1A-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 TRP A 376
ASP A 404
ILE A 441
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.97A 6ca1A-5nn8A:
42.7		 6ca1A-5nn8A:
8.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		11 / 12 TRP A 169
ASP A 197
ILE A 198
ILE A 234
TRP A 305
MET A 308
ARG A 404
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-3.7A)
ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.20A 6ca1B-3pocA:
71.3		 6ca1B-3pocA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1279
ILE A1280
ILE A1315
ASP A1420
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.44A 6ca1B-3topA:
36.9		 6ca1B-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		6 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.87A 6ca1B-3topA:
36.9		 6ca1B-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 357
ILE A 396
MET A 470
ARG A 552
ASP A 568
PHE A 601
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.48A 6ca1B-3welA:
37.7		 6ca1B-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		11 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
ASP A 469
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.41A 6ca1B-3welA:
37.7		 6ca1B-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		8 / 12 TRP A 329
ASP A 357
ILE A 358
ILE A 396
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-4.1A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.84A 6ca1B-3welA:
37.7		 6ca1B-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 404
ILE A 441
MET A 519
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.47A 6ca1B-5nn8A:
41.7		 6ca1B-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 TRP A 376
ASP A 404
ILE A 441
ASP A 518
MET A 519
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.64A 6ca1B-5nn8A:
41.7		 6ca1B-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 TRP A 376
ASP A 404
ILE A 441
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 ( 4.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.96A 6ca1B-5nn8A:
41.7		 6ca1B-5nn8A:
8.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		10 / 12 ASP A 197
ILE A 198
ILE A 234
TRP A 305
MET A 308
ARG A 404
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.28A 6ca3A-3pocA:
63.0		 6ca3A-3pocA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		11 / 12 TYR A1251
ASP A1279
ILE A1280
ILE A1315
ASP A1420
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 ( 4.1A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.42A 6ca3A-3topA:
34.6		 6ca3A-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 TYR A1251
ASP A1279
ILE A1280
ILE A1315
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 ( 4.1A)
ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.91A 6ca3A-3topA:
34.6		 6ca3A-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 357
ILE A 358
ILE A 396
ASP A 469
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.40A 6ca3A-3welA:
37.4		 6ca3A-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		7 / 12 ASP A 357
ILE A 358
ILE A 396
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.92A 6ca3A-3welA:
37.4		 6ca3A-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 357
ILE A 396
MET A 470
ARG A 552
ASP A 568
PHE A 601
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.44A 6ca3A-3welA:
37.4		 6ca3A-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		9 / 12 ASP A 404
ILE A 441
ASP A 518
MET A 519
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.41A 6ca3A-5nn8A:
36.2		 6ca3A-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 404
ILE A 441
MET A 519
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.44A 6ca3A-5nn8A:
36.2		 6ca3A-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		5 / 12 ASP A 404
ILE A 441
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.89A 6ca3A-5nn8A:
36.2		 6ca3A-5nn8A:
8.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		10 / 12 ASP A 197
ILE A 198
ILE A 234
TRP A 271
TRP A 305
MET A 308
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
ACR  A 664 (-4.6A)
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.56A 6ca3B-3pocA:
66.9		 6ca3B-3pocA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		10 / 12 ASP A 197
ILE A 198
ILE A 234
TRP A 305
MET A 308
ARG A 404
TRP A 417
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
ACR  A 664 (-3.5A)
None
None
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.0A)
ACR  A 664 (-4.6A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.30A 6ca3B-3pocA:
66.9		 6ca3B-3pocA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		10 / 12 ASP A1279
ILE A1280
ILE A1315
ASP A1420
MET A1421
ARG A1510
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.43A 6ca3B-3topA:
33.4		 6ca3B-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		9 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1355
ASP A1420
TRP A1523
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
ACR  A   1 (-3.6A)
ACR  A   1 (-4.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.70A 6ca3B-3topA:
33.4		 6ca3B-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens) 		7 / 12 ASP A1279
ILE A1280
ILE A1315
TRP A1355
TRP A1418
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
None
ACR  A   1 (-4.4A)
None
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.23A 6ca3B-3topA:
33.4		 6ca3B-3topA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		10 / 12 ASP A 357
ILE A 358
ILE A 396
ASP A 469
MET A 470
ARG A 552
TRP A 565
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.40A 6ca3B-3welA:
37.1		 6ca3B-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		9 / 12 ASP A 357
ILE A 358
ILE A 396
TRP A 432
ASP A 469
MET A 470
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.67A 6ca3B-3welA:
37.1		 6ca3B-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		8 / 12 ASP A 357
ILE A 358
ILE A 396
TRP A 432
TRP A 467
TRP A 565
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-4.9A)
ACR  A1001 ( 4.6A)
None
ACR  A1001 (-4.8A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.13A 6ca3B-3welA:
37.1		 6ca3B-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		6 / 12 ASP A 357
ILE A 396
MET A 470
ARG A 552
ASP A 568
PHE A 601
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
 1.44A 6ca3B-3welA:
37.1		 6ca3B-3welA:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 404
ILE A 441
MET A 519
ARG A 600
ASP A 616
PHE A 649
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
 1.44A 6ca3B-5nn8A:
34.9		 6ca3B-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		10 / 12 ASP A 404
ILE A 441
TRP A 481
ASP A 518
MET A 519
ARG A 600
TRP A 613
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.61A 6ca3B-5nn8A:
34.9		 6ca3B-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		6 / 12 ASP A 404
ILE A 441
TRP A 481
TRP A 516
PHE A 649
HIS A 674
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.3A)
ACR  A1015 ( 4.6A)
None
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 1.20A 6ca3B-5nn8A:
34.9		 6ca3B-5nn8A:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 5 GLY A 572
ASN A 513
ASP A 571
ARG A 589
 None
ACR  A3000 (-3.5A)
None
None
 1.39A 6dwdB-1ulvA:
undetectable
6dwdD-1ulvA:
undetectable		 6dwdB-1ulvA:
19.45
6dwdD-1ulvA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 5 ARG A 589
GLY A 572
ASN A 513
ASP A 571
 None
None
ACR  A3000 (-3.5A)
None
 1.37A 6dwjB-1ulvA:
undetectable
6dwjD-1ulvA:
undetectable		 6dwjB-1ulvA:
19.45
6dwjD-1ulvA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		6 / 12 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 0.83A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TRP A 341
ASP A 344
GLU A 435
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 1.20A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		10 / 12 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.45A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TYR A 337
TRP A 390
GLU A 439
TYR A 581
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
 0.91A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		6 / 12 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 0.90A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 307
TRP A 330
ASP A 333
GLU A 427
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 1.29A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		10 / 12 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.47A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		12 / 12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
TRP A 473
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
None
 0.36A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		3 / 3 TRP A 437
GLU A 438
GLU A 636
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
 0.37A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		3 / 3 TRP A 654
GLU A 636
GLU A 438
 None
None
ACR  A 700 (-3.5A)
 0.88A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		3 / 3 TRP A 429
GLU A 430
GLU A 628
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
 0.37A 6fhwA-1ulvA:
33.6		 6fhwA-1ulvA:
6.85
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		3 / 3 TRP A 655
GLU A 628
GLU A 430
 None
None
ACR  A3000 (-3.6A)
 0.85A 6fhwA-1ulvA:
33.6		 6fhwA-1ulvA:
6.85
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		3 / 3 TRP A 209
GLU A 210
GLU A 456
 None
ACR  A 995 (-3.7A)
ACR  A 995 ( 4.6A)
 0.19A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		3 / 3 TRP A 473
GLU A 456
GLU A 210
 None
ACR  A 995 ( 4.6A)
ACR  A 995 (-3.7A)
 0.86A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		6 / 12 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 0.83A 6fhwB-1lf9A:
29.5		 6fhwB-1lf9A:
8.19
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TRP A 341
ASP A 344
GLU A 435
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 1.20A 6fhwB-1lf9A:
29.5		 6fhwB-1lf9A:
8.19
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		10 / 12 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.45A 6fhwB-1lf9A:
29.5		 6fhwB-1lf9A:
8.19
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		5 / 12 ALA A 319
TYR A 337
TRP A 390
GLU A 439
TYR A 581
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
 0.91A 6fhwB-1lf9A:
29.5		 6fhwB-1lf9A:
8.19
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		6 / 12 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 0.90A 6fhwB-1ulvA:
33.8		 6fhwB-1ulvA:
6.85
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		5 / 12 ALA A 307
TRP A 330
ASP A 333
GLU A 427
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 1.28A 6fhwB-1ulvA:
33.8		 6fhwB-1ulvA:
6.85
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		10 / 12 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.47A 6fhwB-1ulvA:
33.8		 6fhwB-1ulvA:
6.85
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.
6FHW_B_ACRB801_1
(GLUCOAMYLASE P)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		12 / 12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
TRP A 473
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
None
 0.36A 6fhwB-2f6dA:
45.5		 6fhwB-2f6dA:
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.
6FHW_B_ACRB801_2
(GLUCOAMYLASE P)		 1lf9 GLUCOAMYLASE
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		4 / 4 TRP A 437
GLU A 438
GLU A 636
LEU A 652
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
None
 0.49A 6fhwB-1lf9A:
29.5		 6fhwB-1lf9A:
8.19
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.
6FHW_B_ACRB801_2
(GLUCOAMYLASE P)		 1ulv GLUCODEXTRANASE
(Arthrobacter
globiformis) 		4 / 4 TRP A 429
GLU A 430
GLU A 628
LEU A 653
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
None
 0.41A 6fhwB-1ulvA:
33.9		 6fhwB-1ulvA:
6.85
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.
6FHW_B_ACRB801_2
(GLUCOAMYLASE P)		 2f6d GLUCOAMYLASE GLU1
(Saccharomycopsis
fibuligera) 		4 / 4 TRP A 209
GLU A 210
GLU A 456
LEU A 471
 None
ACR  A 995 (-3.7A)
ACR  A 995 ( 4.6A)
None
 0.24A 6fhwB-2f6dA:
45.5		 6fhwB-2f6dA:
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.
6GNE_A_ACRA602_2
(-)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 6 TYR A  85
TRP A 417
HIS A 427
ASN A 431
 None
ACR  A 664 (-4.6A)
None
None
 1.33A 6gneA-3pocA:
undetectable		 6gneA-3pocA:
21.88
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.
6GNE_B_ACRB602_2
(-)		 3poc ALPHA-GLUCOSIDASE
(Blautia
obeum) 		4 / 8 TYR A  85
TRP A 417
HIS A 427
ASN A 431
 None
ACR  A 664 (-4.6A)
None
None
 1.31A 6gneB-3pocA:
undetectable		 6gneB-3pocA:
21.88
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.
6GNF_A_QPSA602_1
(-)		 6gne -
(-) 		6 / 12 ASP A 132
ASN A 277
ARG A 332
GLU A 412
PRO A 413
GLY A 415
 None
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.97A 6gnfA-6gneA:
33.5		 6gnfA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_1
(-)		 6gne -
(-) 		9 / 12 VAL A  46
ASP A 161
ASN A 191
ASN A 277
ARG A 332
GLN A 336
GLU A 412
PRO A 413
GLY A 415
 ACR  A 602 (-4.9A)
ACR  A 602 (-3.4A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.1A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.53A 6gnfA-6gneA:
33.5		 6gnfA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_A_QPSA602_2
(-)		 6gne -
(-) 		7 / 9 GLY A  41
GLY A  42
TYR A 127
TRP A 162
HIS A 190
VAL A 244
CYH A 414
 ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.2A)
ACR  A 602 (-4.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.3A)
ACR  A 602 (-4.3A)
 0.48A 6gnfA-6gneA:
42.1		 6gnfA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_1
(-)		 6gne -
(-) 		5 / 10 GLY A  42
LEU A  43
SER A 362
HIS A 190
VAL A 244
 ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.7A)
None
ACR  A 602 (-3.8A)
ACR  A 602 (-4.3A)
 1.20A 6gnfC-6gneA:
42.4		 6gnfC-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_1
(-)		 6gne -
(-) 		7 / 10 GLY A  42
LEU A  43
TYR A 127
TRP A 162
HIS A 190
VAL A 244
CYH A 414
 ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.7A)
ACR  A 602 ( 4.2A)
ACR  A 602 (-4.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.3A)
ACR  A 602 (-4.3A)
 0.46A 6gnfC-6gneA:
42.4		 6gnfC-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_2
(-)		 6gne -
(-) 		6 / 12 ASP A 132
ASN A 277
ARG A 332
GLU A 412
PRO A 413
GLY A 415
 None
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.94A 6gnfC-6gneA:
42.4		 6gnfC-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_2
(-)		 6gne -
(-) 		9 / 12 VAL A  46
ASP A 161
ASN A 191
ASN A 277
ARG A 332
GLN A 336
GLU A 412
PRO A 413
GLY A 415
 ACR  A 602 (-4.9A)
ACR  A 602 (-3.4A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.1A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.53A 6gnfC-6gneA:
42.4		 6gnfC-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_1
(-)		 1kxh ALPHA-AMYLASE
(Pseudoalteromona
s
haloplanktis) 		5 / 12 THR A 221
VAL A 197
GLY A 270
ASP A  84
ASN A 174
 CL  A 900 ( 4.4A)
None
None
None
ACR  A 598 (-3.2A)
 1.16A 6gngA-1kxhA:
undetectable		 6gngA-1kxhA:
21.79
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.
6GNG_A_QPSA601_1
(-)		 6gne -
(-) 		5 / 12 GLY A  41
LEU A  43
VAL A  46
ASP A 132
ASN A 277
 ADP  A 601 ( 3.8A)
ACR  A 602 ( 4.7A)
ACR  A 602 (-4.9A)
None
ACR  A 602 (-3.3A)
 0.84A 6gngA-6gneA:
42.2		 6gngA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_1
(-)		 6gne -
(-) 		7 / 12 GLY A  41
LEU A  43
VAL A  46
ASP A 161
ASN A 191
ASN A 277
GLN A 336
 ADP  A 601 ( 3.8A)
ACR  A 602 ( 4.7A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.4A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.3A)
ACR  A 602 (-3.1A)
 0.53A 6gngA-6gneA:
42.2		 6gngA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_1
(-)		 6gne -
(-) 		5 / 12 GLY A  42
LEU A  43
ASP A 161
ASN A 191
GLN A 336
 ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.7A)
ACR  A 602 (-3.4A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.1A)
 0.91A 6gngA-6gneA:
42.2		 6gngA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_2
(-)		 6gne -
(-) 		5 / 12 GLU A  33
GLY A  41
TRP A 162
TYR A 194
GLU A 412
 ACR  A 602 ( 4.6A)
ADP  A 601 ( 3.8A)
ACR  A 602 (-4.2A)
ACR  A 602 (-4.0A)
ACR  A 602 (-3.7A)
 1.28A 6gngA-6gneA:
42.2		 6gngA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_2
(-)		 6gne -
(-) 		11 / 12 GLU A  33
GLY A  42
TYR A 127
TRP A 162
HIS A 190
TYR A 194
VAL A 244
ARG A 332
GLU A 412
PRO A 413
GLY A 415
 ACR  A 602 ( 4.6A)
ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.2A)
ACR  A 602 (-4.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.0A)
ACR  A 602 (-4.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.51A 6gngA-6gneA:
42.2		 6gngA-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_1
(-)		 6gne -
(-) 		9 / 12 VAL A  46
TYR A 127
TRP A 162
HIS A 190
TYR A 194
VAL A 244
GLU A 412
CYH A 414
GLY A 415
 ACR  A 602 (-4.9A)
ACR  A 602 ( 4.2A)
ACR  A 602 (-4.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.0A)
ACR  A 602 (-4.3A)
ACR  A 602 (-3.7A)
ACR  A 602 (-4.3A)
ADP  A 601 ( 3.5A)
 0.48A 6gngB-6gneA:
42.2		 6gngB-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 6gne -
(-) 		8 / 12 GLU A  33
GLY A  41
GLY A  42
LEU A  43
ASN A 191
ARG A 332
GLN A 336
PRO A 413
 ACR  A 602 ( 4.6A)
ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.7A)
ACR  A 602 (-4.9A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.1A)
ACR  A 602 (-3.5A)
 0.51A 6gngB-6gneA:
42.2		 6gngB-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 6gne -
(-) 		6 / 12 GLU A  33
GLY A  42
LEU A  43
ASN A 191
GLN A 336
PRO A 413
 ACR  A 602 ( 4.6A)
ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.7A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.1A)
ACR  A 602 (-3.5A)
 0.98A 6gngB-6gneA:
42.2		 6gngB-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		 6gne -
(-) 		6 / 12 GLY A  41
GLY A  42
GLY A 128
ASN A 191
ARG A 332
PRO A 413
 ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.9A)
ACR  A 602 (-4.9A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.5A)
 1.34A 6gngB-6gneA:
42.2		 6gngB-6gneA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 3wel ALPHA-GLUCOSIDASE
(Beta
vulgaris) 		5 / 11 ASP A 575
ASN A 237
THR A 566
GLY A 567
GLU A 472
 None
ACR  A1001 (-3.0A)
None
None
None
 1.49A 6mb5A-3welA:
undetectable		 6mb5A-3welA:
6.34