SIMILAR PATTERNS OF AMINO ACIDS FOR 3POC_B_ACRB664_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		5 ASP A 173
ILE A 208
ILE A 186
ARG A 191
ASP A  52
 None
 1.23A 3pocB-1nnhA:
undetectable		 3pocB-1nnhA:
19.88
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A 212
ILE A 213
ILE A 249
TRP A 284
MET A 321
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.55A 3pocB-2g3nA:
42.5		 3pocB-2g3nA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		8 ASP A 212
ILE A 213
ILE A 249
TRP A 284
TRP A 318
TRP A 413
PHE A 449
HIS A 480
 None
 1.02A 3pocB-2g3nA:
42.5		 3pocB-2g3nA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 212
ILE A 249
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 1.40A 3pocB-2g3nA:
42.5		 3pocB-2g3nA:
27.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		7 ASP A 412
MET A 554
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.6A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.38A 3pocB-2x2iA:
32.8		 3pocB-2x2iA:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 470
ARG A 642
TRP A 656
ASP A 659
PHE A 692
HIS A 740
 None
 0.40A 3pocB-2xvgA:
41.1		 3pocB-2xvgA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 470
TRP A 580
TRP A 656
PHE A 692
HIS A 740
 None
 0.97A 3pocB-2xvgA:
41.1		 3pocB-2xvgA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 TRP A 471
ASP A 470
TRP A 511
ASP A 659
PHE A 692
HIS A 740
 EDO  A1997 ( 4.5A)
None
None
None
None
None
 0.96A 3pocB-2xvgA:
41.1		 3pocB-2xvgA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 327
ILE A 328
ILE A 364
TRP A 406
MET A 444
ARG A 526
TRP A 539
ASP A 542
PHE A 575
HIS A 600
 3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.5A)
None
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 (-4.6A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.49A 3pocB-3cttA:
42.1		 3pocB-3cttA:
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 327
ILE A 328
ILE A 364
TRP A 406
TRP A 441
PHE A 575
HIS A 600
 3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.5A)
None
3CU  A1001 (-4.9A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.97A 3pocB-3cttA:
42.1		 3pocB-3cttA:
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 327
ILE A 364
MET A 444
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 1.47A 3pocB-3cttA:
42.1		 3pocB-3cttA:
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		11 TRP A 327
ASP A 355
ILE A 356
ILE A 392
TRP A 435
MET A 473
ARG A 555
TRP A 568
ASP A 571
PHE A 604
HIS A 629
 TRS  A6001 ( 3.8A)
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
None
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 ( 4.6A)
None
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.38A 3pocB-3lppA:
38.0		 3pocB-3lppA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		8 TRP A 327
ASP A 355
ILE A 356
ILE A 392
TRP A 435
TRP A 470
PHE A 604
HIS A 629
 TRS  A6001 ( 3.8A)
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
None
TRS  A6001 ( 4.6A)
None
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.89A 3pocB-3lppA:
38.0		 3pocB-3lppA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		5 ASP A 173
ILE A 208
ILE A 186
ARG A 191
ASP A  52
 None
 1.29A 3pocB-3p8tA:
undetectable		 3pocB-3p8tA:
19.27
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		6 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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		11 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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		9 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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		7 ASP A 299
ILE A 341
ARG A 463
TRP A 477
ASP A 480
PHE A 513
HIS A 540
 None
 0.44A 3pocB-4b9yA:
38.6		 3pocB-4b9yA:
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 299
ILE A 341
ASP A 480
PHE A 513
HIS A 540
 None
 1.30A 3pocB-4b9yA:
38.6		 3pocB-4b9yA:
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 299
ILE A 341
TRP A 410
PHE A 513
HIS A 540
 None
 0.90A 3pocB-4b9yA:
38.6		 3pocB-4b9yA:
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 TRP A1075
ASP A1078
TRP A1510
TRP A1239
ASP A1241
 CEX  A2002 (-4.9A)
None
None
None
CEX  A2002 (-4.5A)
 1.08A 3pocB-5d0fA:
6.0		 3pocB-5d0fA:
18.83
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		11 TRP A 415
ASP A 443
ILE A 444
ILE A 480
TRP A 517
MET A 557
ARG A 617
TRP A 630
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
None
TRS  A1001 ( 4.9A)
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
None
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.44A 3pocB-5dkxA:
41.8		 3pocB-5dkxA:
23.52
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		9 TRP A 415
ASP A 443
ILE A 444
ILE A 480
TRP A 517
TRP A 554
TRP A 630
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
None
TRS  A1001 ( 4.9A)
TRS  A1001 (-4.9A)
None
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.86A 3pocB-5dkxA:
41.8		 3pocB-5dkxA:
23.52
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A 348
ARG A 507
TRP A 520
ASP A 523
PHE A 556
HIS A 588
 None
 0.35A 3pocB-5f7cA:
32.2		 3pocB-5f7cA:
23.78
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ARG A 516
TRP A 529
ASP A 532
PHE A 565
HIS A 591
 CA  A 805 ( 4.6A)
None
CA  A 805 ( 4.6A)
None
None
 0.54A 3pocB-5f7sA:
36.1		 3pocB-5f7sA:
23.24
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 ARG A 614
TRP A 627
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-2.8A)
GLC  A1117 (-4.6A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.62A 3pocB-5f7uA:
33.9		 3pocB-5f7uA:
20.37
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		8 ASP A 451
ILE A 488
MET A 565
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698
 5GF  A1021 (-2.0A)
None
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 ( 4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 1.25A 3pocB-5hjrA:
42.9		 3pocB-5hjrA:
25.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		11 TRP A 423
ASP A 451
ILE A 452
ILE A 488
TRP A 525
MET A 565
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698
 5GF  A1021 (-3.1A)
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-3.7A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 ( 4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.49A 3pocB-5hjrA:
42.9		 3pocB-5hjrA:
25.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		9 TRP A 423
ASP A 451
ILE A 452
ILE A 488
TRP A 525
TRP A 562
TRP A 637
PHE A 673
HIS A 698
 5GF  A1021 (-3.1A)
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-3.7A)
5GF  A1021 (-4.6A)
5GF  A1021 ( 4.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.92A 3pocB-5hjrA:
42.9		 3pocB-5hjrA:
25.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 441
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.33A 3pocB-5jouA:
36.4		 3pocB-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 TRP A 442
ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.00A 3pocB-5jouA:
36.4		 3pocB-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 TRP A 442
ASP A 441
TRP A 551
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.20A 3pocB-5jouA:
36.4		 3pocB-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 6 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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 10 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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 7 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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 5 ARG A 500
TRP A 513
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.57A 3pocB-5x3jA:
31.6		 3pocB-5x3jA:
8.72
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ARG A 474
TRP A 488
ASP A 491
PHE A 533
HIS A 565
 None
 0.47A 3pocB-5x7sA:
21.8		 3pocB-5x7sA:
20.17