SIMILAR PATTERNS OF AMINO ACIDS FOR 3PHA_A_ACRA701

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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 ILE A 168
ASP A  97
ASP A  48
PHE A   9
HIS A 131
 None
 1.41A 3phaA-1fvpA:
undetectable		 3phaA-1fvpA:
17.11
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.
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
 1.19A 3phaA-1nnhA:
undetectable		 3phaA-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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		5 ASP A 173
ILE A 208
ILE A 186
ASP A 206
ASP A  52
 None
 1.35A 3phaA-1nnhA:
undetectable		 3phaA-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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 ASP A  21
ILE A  38
ILE A  35
ASP A 395
ARG A 393
 None
 1.45A 3phaA-2ftwA:
3.8		 3phaA-2ftwA:
21.70
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		11 ASP A  87
ASP A 212
ILE A 213
ILE A 249
TRP A 284
ASP A 320
ARG A 400
TRP A 413
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.0A)
None
None
 0.51A 3phaA-2g3nA:
42.7		 3phaA-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.
2iic ALPHA-11 GIARDIN

(Giardia
intestinalis) 		no annotation 5 ASP A  89
ILE A 220
ILE A  99
ASP A  95
ARG A 254
 None
 1.20A 3phaA-2iicA:
undetectable		 3phaA-2iicA:
19.10
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		8 ASP A 239
ASP A 412
ASP A 553
ARG A 649
TRP A 662
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
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)
 0.50A 3phaA-2x2iA:
26.9		 3phaA-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) 		7 ASP A 470
ASP A 582
ARG A 642
TRP A 656
ASP A 659
PHE A 692
HIS A 740
 None
 0.43A 3phaA-2xvgA:
33.6		 3phaA-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
 0.99A 3phaA-2xvgA:
33.6		 3phaA-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 TRP A 471
ASP A 582
ARG A 642
TRP A 656
ASP A 659
 EDO  A1997 ( 4.5A)
None
None
None
None
 1.33A 3phaA-2xvgA:
33.6		 3phaA-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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		11 ASP A 203
ASP A 327
ILE A 328
ILE A 364
TRP A 406
ASP A 443
ARG A 526
TRP A 539
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.5A)
None
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.5A)
3CU  A1001 (-4.6A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.45A 3phaA-3cttA:
35.5		 3phaA-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
ARG A 526
ASP A 542
PHE A 575
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
 1.44A 3phaA-3cttA:
35.5		 3phaA-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) 		5 ASP A 542
ASP A 366
ILE A 364
ILE A 328
ASP A 203
 3CU  A1001 ( 2.5A)
None
3CU  A1001 (-4.5A)
3CU  A1001 ( 3.9A)
GOL  A3001 (-2.6A)
 1.17A 3phaA-3cttA:
35.5		 3phaA-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.
3gtd FUMARATE HYDRATASE
CLASS II

(Rickettsia
prowazekii) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ASP A 403
ILE A 395
ILE A 181
ARG A 402
ASP A 451
 None
 1.16A 3phaA-3gtdA:
undetectable		 3phaA-3gtdA:
21.25
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		5 ILE A 176
ILE A 670
ASP A 669
ARG A 695
ASP A 111
 None
 1.27A 3phaA-3j9dA:
undetectable		 3phaA-3j9dA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		11 ASP A 231
ASP A 355
ILE A 356
ILE A 392
TRP A 435
ASP A 472
ARG A 555
TRP A 568
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
None
TRS  A6001 ( 4.6A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 4.6A)
None
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.40A 3phaA-3lppA:
37.6		 3phaA-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
 1.28A 3phaA-3p8tA:
undetectable		 3phaA-3p8tA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 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
ASP A 206
ASP A  52
 None
 1.45A 3phaA-3p8tA:
undetectable		 3phaA-3p8tA:
19.75
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) 		7 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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		11 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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		11 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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 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.
3uug MULTIPLE
SUGAR-BINDING
PERIPLASMIC RECEPTOR
CHVE

(Agrobacterium
fabrum) 		PF13407
(Peripla_BP_4) 		5 ASP A 143
ASP A  91
ARG A  17
TRP A  18
ASP A 242
 BDP  A 331 (-2.8A)
BDP  A 331 (-3.0A)
BDP  A 331 (-4.0A)
BDP  A 331 ( 4.9A)
BDP  A 331 (-2.7A)
 1.17A 3phaA-3uugA:
2.7		 3phaA-3uugA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 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 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.
3wel ALPHA-GLUCOSIDASE

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

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		8 ASP A 299
ILE A 341
ASP A 412
ARG A 463
TRP A 477
ASP A 480
PHE A 513
HIS A 540
 None
 0.49A 3phaA-4b9yA:
39.9		 3phaA-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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ASP A 620
ILE A 368
ILE A  81
ASP A  80
ASP A 905
 None
 1.33A 3phaA-4iugA:
6.9		 3phaA-4iugA:
21.60
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 503
ILE A 444
ASP A 442
ARG A 441
ASP A 490
 None
 1.50A 3phaA-4r1dA:
undetectable		 3phaA-4r1dA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywh ABC TRANSPORTER
SOLUTE BINDING
PROTEIN

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 ASP A 158
ASP A 113
ARG A  39
TRP A  40
ASP A 245
 XYP  A 401 (-2.8A)
XYP  A 401 (-3.3A)
XYP  A 401 (-3.9A)
None
XYP  A 401 (-2.4A)
 1.15A 3phaA-4ywhA:
undetectable		 3phaA-4ywhA:
20.83
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.
5aw4 NA, K-ATPASE ALPHA
SUBUNIT

(Squalus
acanthias) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 933
ILE A 998
ILE A 857
ASP A1002
ARG A1006
 None
 1.40A 3phaA-5aw4A:
undetectable		 3phaA-5aw4A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.36A 3phaA-5djwA:
39.4		 3phaA-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
 1.22A 3phaA-5djwA:
39.4		 3phaA-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) 		11 ASP A 303
ASP A 443
ILE A 444
ILE A 480
TRP A 517
ASP A 556
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 (-3.2A)
TRS  A1001 (-4.0A)
None
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.42A 3phaA-5dkxA:
39.8		 3phaA-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) 		5 ASP A 443
ILE A 444
ILE A 480
TRP A 517
ASP A 482
 TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
None
TRS  A1001 ( 4.9A)
None
 1.26A 3phaA-5dkxA:
39.8		 3phaA-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) 		8 ASP A 228
ASP A 348
ASP A 460
ARG A 507
TRP A 520
ASP A 523
PHE A 556
HIS A 588
 None
 0.46A 3phaA-5f7cA:
34.0		 3phaA-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) 		6 ASP A 467
ARG A 516
TRP A 529
ASP A 532
PHE A 565
HIS A 591
 CA  A 805 (-2.9A)
CA  A 805 ( 4.6A)
None
CA  A 805 ( 4.6A)
None
None
 0.56A 3phaA-5f7sA:
21.6		 3phaA-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.
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)
 0.65A 3phaA-5f7uA:
35.0		 3phaA-5f7uA:
20.79
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		11 ASP A 305
ASP A 451
ILE A 452
ILE A 488
TRP A 525
ASP A 564
ARG A 624
TRP A 637
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-3.7A)
5GF  A1021 (-2.1A)
5GF  A1021 (-3.4A)
5GF  A1021 ( 4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.46A 3phaA-5hjrA:
36.6		 3phaA-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 451
ILE A 452
ILE A 488
TRP A 525
ASP A 490
 5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
None
5GF  A1021 (-3.7A)
5GF  A1021 ( 4.6A)
 1.22A 3phaA-5hjrA:
36.6		 3phaA-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
 1.50A 3phaA-5hjrA:
36.6		 3phaA-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) 		7 ASP A 441
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.40A 3phaA-5jouA:
33.4		 3phaA-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)
 1.07A 3phaA-5jouA:
33.4		 3phaA-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 TRP A 442
ASP A 553
ARG A 613
TRP A 627
ASP A 630
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
 1.39A 3phaA-5jouA:
33.4		 3phaA-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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

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

(Homo sapiens) 		no annotation 10 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
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.59A 3phaA-5x3jA:
31.4		 3phaA-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) 		6 ASP A 429
ARG A 474
TRP A 488
ASP A 491
PHE A 533
HIS A 565
 None
 0.44A 3phaA-5x7sA:
21.7		 3phaA-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
 1.41A 3phaA-5x7sA:
21.7		 3phaA-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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 4 PRO B1153
ILE B1190
TYR B1156
MET B1181
 None
 1.48A 3phaA-1ej6B:
undetectable		 3phaA-1ej6B:
19.18
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		4 PRO A 221
ILE A 219
TYR A 295
TRP A 328
 None
 1.45A 3phaA-1qoxA:
3.7		 3phaA-1qoxA:
21.06
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.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		4 ILE A 113
TYR A 395
TRP A 434
MET A 416
 None
 1.44A 3phaA-1tr1A:
7.2		 3phaA-1tr1A:
22.18
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.
1vjz ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		4 ILE A  79
TYR A 124
TRP A 117
MET A  45
 None
 0.96A 3phaA-1vjzA:
2.8		 3phaA-1vjzA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		4 PRO A 215
ILE A 218
TYR A 208
TRP A 146
 None
 1.15A 3phaA-2qpxA:
4.2		 3phaA-2qpxA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvj ABC TYPE PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Yersinia
enterocolitica) 		PF13416
(SBP_bac_8) 		4 PRO A 206
ILE A 205
TYR A 386
TRP A  91
 None
 1.29A 3phaA-2uvjA:
0.0		 3phaA-2uvjA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		4 PRO A 159
ILE A 160
TYR A 194
MET A 133
 None
 1.35A 3phaA-2vmfA:
2.9		 3phaA-2vmfA:
22.52
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.
3grk ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		4 PRO A 194
ILE A 195
TYR A 208
MET A 156
 None
 1.36A 3phaA-3grkA:
2.4		 3phaA-3grkA:
19.03
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) 		4 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qc2 GLYCOSYL HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		4 PRO A 274
ILE A 348
TYR A 227
TRP A 244
 None
 1.48A 3phaA-3qc2A:
undetectable		 3phaA-3qc2A:
20.39
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.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 PRO A 428
ILE A 427
TYR A 327
TRP A 131
 None
 1.33A 3phaA-3qo7A:
undetectable		 3phaA-3qo7A:
21.04
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.
4l01 TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PRO A 757
ILE A 756
TYR A 788
MET A 824
 None
 1.16A 3phaA-4l01A:
undetectable		 3phaA-4l01A:
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 PRO A 461
ILE A 462
TYR A 423
MET A 345
 None
 1.08A 3phaA-4y9lA:
0.0		 3phaA-4y9lA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		4 PRO A 191
ILE A 195
TYR A 332
MET A 258
 None
 1.31A 3phaA-5gj3A:
undetectable		 3phaA-5gj3A:
17.45
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		4 PRO A  67
ILE A  68
TYR A 159
TRP A 188
 None
 1.17A 3phaA-5h05A:
13.3		 3phaA-5h05A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 PRO A  53
ILE A  84
TYR A 176
TRP A 183
 None
 1.45A 3phaA-5uj1A:
undetectable		 3phaA-5uj1A:
8.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei) 		no annotation 4 PRO A 166
ILE A 170
TYR A 380
MET A 158
 None
 1.32A 3phaA-5ysmA:
undetectable		 3phaA-5ysmA:
10.04
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 4 PRO A  62
ILE A  63
TYR A 168
TRP A  39
 None
 1.42A 3phaA-6f74A:
undetectable		 3phaA-6f74A:
7.41