SIMILAR PATTERNS OF AMINO ACIDS FOR 3PHA_D_ACRD701_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.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		5 ILE A  78
ASP A 223
ASP A 225
ARG A 272
ASP A  60
 None
 1.45A 3phaD-1k8gA:
undetectable		 3phaD-1k8gA:
18.09
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		5 ASP A 205
ASP A 156
ILE A 237
ARG A 397
HIS A 154
 HEM  A 805 (-3.8A)
None
None
HEM  A 805 ( 3.9A)
HEM  A 802 (-4.1A)
 1.43A 3phaD-1sp3A:
undetectable		 3phaD-1sp3A:
20.06
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 ILE A 292
ASP A 211
ILE A 181
ASP A 323
HIS A 239
 None
None
None
CO  A1000 (-2.7A)
CO  A1000 (-3.4A)
 1.33A 3phaD-2amxA:
4.8		 3phaD-2amxA:
18.57
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.
2cb4 MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		no annotation 5 ASP A 273
ILE A 139
ASP A 105
ASP A  99
ARG A  97
 None
 1.06A 3phaD-2cb4A:
undetectable		 3phaD-2cb4A:
17.40
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A  87
ASP A 212
ILE A 213
TRP A 284
ASP A 320
MET A 321
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.51A 3phaD-2g3nA:
41.7		 3phaD-2g3nA:
27.86
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A  87
ASP A 212
ILE A 249
MET A 321
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
 1.40A 3phaD-2g3nA:
41.7		 3phaD-2g3nA:
27.86
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 416
ASP A  87
ARG A 400
ASP A 320
HIS A 252
 BOG  A2000 (-3.0A)
BOG  A2000 (-2.7A)
BOG  A2000 (-3.1A)
None
None
 1.29A 3phaD-2g3nA:
41.7		 3phaD-2g3nA:
27.86
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 ASP A 273
ILE A 139
ASP A 105
ASP A  99
ARG A  97
 None
 1.01A 3phaD-2vsaA:
undetectable		 3phaD-2vsaA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 ASP A 239
ASP A 412
ASP A 553
MET A 554
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.40A 3phaD-2x2iA:
35.1		 3phaD-2x2iA:
24.25
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 470
ASP A 582
ARG A 642
ASP A 659
PHE A 692
HIS A 740
 None
 0.47A 3phaD-2xvgA:
38.1		 3phaD-2xvgA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 470
TRP A 511
ASP A 659
PHE A 692
HIS A 740
 None
 0.96A 3phaD-2xvgA:
38.1		 3phaD-2xvgA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ASP A 423
ILE A 391
ASP A 490
ARG A 367
ASP A 368
 None
None
K  A2903 ( 3.4A)
K  A2903 (-4.0A)
None
 1.20A 3phaD-3actA:
undetectable		 3phaD-3actA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 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 203
ASP A 327
ILE A 328
TRP A 406
ASP A 443
MET A 444
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
None
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.44A 3phaD-3cttA:
41.2		 3phaD-3cttA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 ASP A 203
ASP A 327
ILE A 364
MET A 444
ASP A 542
PHE A 575
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
 1.43A 3phaD-3cttA:
41.2		 3phaD-3cttA:
25.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A  86
ASP A 170
ILE A 168
ASP A  84
PHE A 129
 None
 1.46A 3phaD-3enqA:
undetectable		 3phaD-3enqA:
18.40
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 ILE A 109
ASP A 203
ILE A 201
ASP A 107
PHE A 152
 None
None
None
5RP  A 501 (-2.6A)
None
 1.49A 3phaD-3hheA:
undetectable		 3phaD-3hheA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		5 ILE A 201
ASP A 452
ASP A 414
ARG A 396
ASP A 213
 None
 1.26A 3phaD-3lm3A:
2.1		 3phaD-3lm3A:
22.53
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 231
ASP A 355
ILE A 356
TRP A 435
ASP A 472
MET A 473
ARG A 555
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
TRS  A6001 ( 4.6A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.33A 3phaD-3lppA:
36.3		 3phaD-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) 		6 ASP A 231
ASP A 355
ILE A 392
MET A 473
ASP A 571
PHE A 604
 None
TRS  A6001 (-2.9A)
None
TRS  A6001 ( 3.7A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
 1.45A 3phaD-3lppA:
36.3		 3phaD-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.
3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Clostridium
perfringens) 		PF01259
(SAICAR_synt) 		5 ASP A 176
ILE A 175
TRP A 202
ASP A 213
ARG A 217
 AMP  A 242 (-3.4A)
None
None
None
None
 1.39A 3phaD-3nuaA:
undetectable		 3phaD-3nuaA:
17.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		11 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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		8 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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		10 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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		6 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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 ASP A 299
ASP A 412
ARG A 463
ASP A 480
PHE A 513
HIS A 540
 None
 0.41A 3phaD-4b9yA:
34.5		 3phaD-4b9yA:
24.97
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.
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 3phaD-4b9yA:
34.5		 3phaD-4b9yA:
24.97
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.
4fe2 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Streptococcus
pneumoniae) 		PF01259
(SAICAR_synt) 		5 ASP A 174
ILE A 173
TRP A 201
ASP A 211
ARG A 215
 AIR  A 301 (-2.9A)
None
None
None
None
 1.45A 3phaD-4fe2A:
undetectable		 3phaD-4fe2A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		5 ILE A  20
ASP A 141
ILE A 140
ARG A 285
HIS A 258
 None
TRS  A 402 (-3.0A)
None
TRS  A 402 (-2.9A)
CA  A 401 (-3.7A)
 1.41A 3phaD-4novA:
undetectable		 3phaD-4novA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oua PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 ASP A 133
ILE A 254
ILE A 370
ASP A 354
ARG A 288
 None
 1.31A 3phaD-4ouaA:
undetectable		 3phaD-4ouaA:
20.15
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.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		5 ASP A 138
ILE A 111
ASP A 298
ARG A  64
ASP A  68
 BGC  A 402 (-3.0A)
None
BGC  A 402 (-2.7A)
BGC  A 402 (-3.9A)
None
 1.44A 3phaD-4rxuA:
undetectable		 3phaD-4rxuA:
19.64
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 211
TRP A 285
ASP A 321
ASP A 401
PHE A 434
 None
 1.30A 3phaD-5djwA:
41.5		 3phaD-5djwA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 TRP A 285
ASP A 321
ARG A 385
ASP A 401
PHE A 434
 None
 1.19A 3phaD-5djwA:
41.5		 3phaD-5djwA:
27.91
Potential target for repurposing, i.e. matched protein structure has less than 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) 		10 ASP A 303
ASP A 443
ILE A 444
TRP A 517
ASP A 556
MET A 557
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
TRS  A1001 ( 4.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.32A 3phaD-5dkxA:
33.2		 3phaD-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) 		8 ASP A 303
ASP A 443
ILE A 480
MET A 557
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
None
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 1.24A 3phaD-5dkxA:
33.2		 3phaD-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) 		7 ASP A 228
ASP A 348
ASP A 460
ARG A 507
ASP A 523
PHE A 556
HIS A 588
 None
 0.46A 3phaD-5f7cA:
34.1		 3phaD-5f7cA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 467
ARG A 516
ASP A 532
PHE A 565
HIS A 591
 CA  A 805 (-2.9A)
CA  A 805 ( 4.6A)
CA  A 805 ( 4.6A)
None
None
 0.55A 3phaD-5f7sA:
34.6		 3phaD-5f7sA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A 305
ASP A 451
ILE A 452
TRP A 525
ASP A 564
MET A 565
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
5GF  A1021 (-3.7A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.33A 3phaD-5hjrA:
41.5		 3phaD-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) 		8 ASP A 305
ASP A 451
ILE A 488
MET A 565
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
None
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 1.19A 3phaD-5hjrA:
41.5		 3phaD-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) 		5 ASP A 640
ASP A 305
ARG A 624
ASP A 564
HIS A 492
 5GF  A1021 (-2.6A)
None
5GF  A1021 (-3.4A)
5GF  A1021 (-2.1A)
None
 1.45A 3phaD-5hjrA:
41.5		 3phaD-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
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.39A 3phaD-5jouA:
36.7		 3phaD-5jouA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.02A 3phaD-5jouA:
36.7		 3phaD-5jouA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 ILE A 570
TRP A 190
ASP A 231
PHE A 127
HIS A 350
 None
 1.43A 3phaD-5kbpA:
5.1		 3phaD-5kbpA:
20.58
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

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

(Homo sapiens) 		no annotation 9 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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A 429
ARG A 474
ASP A 491
PHE A 533
HIS A 565
 None
 0.36A 3phaD-5x7sA:
21.5		 3phaD-5x7sA:
19.62
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A 432
ASP A 529
ILE A 492
ASP A 491
ASP A 429
 None
 1.28A 3phaD-5x7sA:
21.5		 3phaD-5x7sA:
19.62
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A 432
ILE A 492
ASP A 491
ASP A 429
HIS A 565
 None
 1.45A 3phaD-5x7sA:
21.5		 3phaD-5x7sA:
19.62
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.
6dch SCOE PROTEIN

(Streptomyces
coeruleorubidus) 		no annotation 5 ILE A  65
ASP A 140
ILE A 323
ASP A 315
HIS A 314
 None
 1.34A 3phaD-6dchA:
undetectable		 3phaD-6dchA:
8.45
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.
6dus TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN

(Salmonella
enterica) 		no annotation 5 ASP A 191
ILE A 289
ASP A 325
ARG A 194
HIS A 247
 NAG  A 502 (-2.9A)
None
MG  A 503 ( 2.9A)
NAG  A 502 ( 4.5A)
None
 1.31A 3phaD-6dusA:
undetectable		 3phaD-6dusA:
undetectable