SIMILAR PATTERNS OF AMINO ACIDS FOR 5NN8_A_ACRA1015_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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 ILE A 168
ASP A  97
ASP A  48
PHE A   9
HIS A 131
 None
 1.49A 5nn8A-1fvpA:
undetectable		 5nn8A-1fvpA:
13.38
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.
1mox EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ASP A 369
ILE A 421
ARG A 390
PHE A 352
LEU A 363
 None
 1.32A 5nn8A-1moxA:
undetectable		 5nn8A-1moxA:
20.09
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.
1v9k RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE C

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 LEU A 200
ILE A 206
ASP A 258
LEU A 280
HIS A 242
 None
 1.48A 5nn8A-1v9kA:
undetectable		 5nn8A-1v9kA:
14.29
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.
2dla 397AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF04104
(DNA_primase_lrg) 		5 ASP A 111
LEU A 152
ILE A 157
ARG A 161
LEU A 169
 None
 1.25A 5nn8A-2dlaA:
undetectable		 5nn8A-2dlaA:
13.96
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A  87
ASP A 212
ILE A 213
ASP A 416
PHE A 449
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
 1.47A 5nn8A-2g3nA:
31.4		 5nn8A-2g3nA:
25.98
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A  87
ASP A 212
ILE A 249
TRP A 284
TRP A 318
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.54A 5nn8A-2g3nA:
31.4		 5nn8A-2g3nA:
25.98
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A  87
ASP A 445
ASP A 416
ASP A 320
HIS A 480
 BOG  A2000 (-2.7A)
None
BOG  A2000 (-3.0A)
None
None
 1.46A 5nn8A-2g3nA:
31.4		 5nn8A-2g3nA:
25.98
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.
2le8 DNA REPLICATION
LICENSING FACTOR
MCM6

(Homo sapiens) 		no annotation 5 ASP A  81
LEU A  23
ILE A  70
ARG A  76
LEU A  10
 None
 1.35A 5nn8A-2le8A:
undetectable		 5nn8A-2le8A:
9.25
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.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		5 ASP A 111
ILE A 107
PHE A  55
LEU A  81
HIS A  54
 FEO  A 119 ( 2.5A)
AZI  A 120 (-4.7A)
AZI  A 120 (-4.5A)
None
FEO  A 119 ( 3.3A)
 1.45A 5nn8A-2mhrA:
undetectable		 5nn8A-2mhrA:
8.18
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		8 ASP A 239
ASP A 412
TRP A 551
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-2.5A)
QPS  A1050 (-3.2A)
QPS  A1050 (-4.8A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.60A 5nn8A-2x2iA:
37.0		 5nn8A-2x2iA:
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.
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
 0.81A 5nn8A-2xvgA:
42.6		 5nn8A-2xvgA:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		7 ASP A 470
TRP A 580
ASP A 582
ARG A 642
ASP A 659
PHE A 692
HIS A 740
 None
 0.52A 5nn8A-2xvgA:
42.6		 5nn8A-2xvgA:
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ASP A 490
ILE A 521
ASP A 422
ARG A 367
LEU A 635
 K  A2903 ( 3.4A)
None
None
K  A2903 (-4.0A)
None
 1.33A 5nn8A-3actA:
5.4		 5nn8A-3actA:
21.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 203
ASP A 327
ILE A 364
TRP A 406
TRP A 441
ASP A 443
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
None
3CU  A1001 (-4.9A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.40A 5nn8A-3cttA:
54.9		 5nn8A-3cttA:
44.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 203
ASP A 571
ASP A 542
ASP A 443
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 ( 4.8A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-2.7A)
3CU  A1001 (-3.9A)
 1.44A 5nn8A-3cttA:
54.9		 5nn8A-3cttA:
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 436
ILE A 216
ASP A 217
ARG A 154
PHE A 419
 None
 1.45A 5nn8A-3e1kA:
undetectable		 5nn8A-3e1kA:
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.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 271
ASP A  24
ARG A 156
ASP A 105
HIS A 129
 None
 1.36A 5nn8A-3efmA:
undetectable		 5nn8A-3efmA:
23.93
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.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 LEU A 372
ILE A 368
ASP A 445
ARG A 463
LEU A 317
 None
 1.21A 5nn8A-3kehA:
3.7		 5nn8A-3kehA:
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 LEU A 121
ILE A 111
ASP A 112
ASP A 162
PHE A 378
 None
 1.37A 5nn8A-3lkbA:
undetectable		 5nn8A-3lkbA:
17.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 231
ASP A 355
ILE A 356
ASP A 571
PHE A 604
 None
TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
 1.49A 5nn8A-3lppA:
51.1		 5nn8A-3lppA:
42.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		10 ASP A 231
ASP A 355
ILE A 392
TRP A 435
TRP A 470
ASP A 472
ARG A 555
ASP A 571
PHE A 604
HIS A 629
 None
TRS  A6001 (-2.9A)
None
TRS  A6001 ( 4.6A)
None
TRS  A6001 (-3.2A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.36A 5nn8A-3lppA:
51.1		 5nn8A-3lppA:
42.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 ILE A 392
TRP A 435
TRP A 470
ASP A 472
ASP A 571
LEU A 233
 None
TRS  A6001 ( 4.6A)
None
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
None
 1.36A 5nn8A-3lppA:
51.1		 5nn8A-3lppA:
42.92
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		8 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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q4g NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Vibrio cholerae) 		PF02540
(NAD_synthase) 		5 ASP A 167
ASP A 241
LEU A 244
ILE A 240
ASP A  49
 None
None
None
None
CA  A 279 (-4.9A)
 1.25A 5nn8A-3q4gA:
undetectable		 5nn8A-3q4gA:
16.88
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.
3rac HISTIDINE-TRNA
LIGASE

(Alicyclobacillus
acidocaldarius) 		PF13393
(tRNA-synt_His) 		5 ASP A 334
ARG A 332
ASP A 160
LEU A 284
HIS A 185
 None
 1.49A 5nn8A-3racA:
undetectable		 5nn8A-3racA:
18.16
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.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		5 ASP A  24
LEU A  91
ILE A  95
ASP A  96
ARG A  22
 None
 1.16A 5nn8A-3tkaA:
undetectable		 5nn8A-3tkaA:
17.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

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

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 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.
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 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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ASP A  81
ILE A  45
ASP A  46
ASP A 164
LEU A 167
 ZN  A1000 (-2.8A)
None
None
ZN  A1000 ( 2.3A)
None
 1.47A 5nn8A-4ad9A:
undetectable		 5nn8A-4ad9A:
15.95
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		9 ASP A 299
LEU A 300
ILE A 341
TRP A 410
ASP A 412
ARG A 463
ASP A 480
PHE A 513
HIS A 540
 None
 0.59A 5nn8A-4b9yA:
34.8		 5nn8A-4b9yA:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ASP A1344
LEU A1536
ILE A1533
ARG A1460
LEU A1423
 None
 1.24A 5nn8A-4bedA:
undetectable		 5nn8A-4bedA:
19.42
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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ASP A  83
ILE A  51
ASP A  52
ASP A 154
LEU A 157
 None
None
None
FE  A 501 (-3.1A)
None
 1.46A 5nn8A-4chlA:
2.4		 5nn8A-4chlA:
14.25
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.
4g3w TRANSCRIPTIONAL
REGULATOR NLH1

(Aquifex
aeolicus) 		PF01590
(GAF) 		5 LEU A 141
ILE A 135
ASP A 139
PHE A  40
LEU A  34
 None
 1.49A 5nn8A-4g3wA:
undetectable		 5nn8A-4g3wA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 TRP A 315
ASP A 301
ARG A 299
LEU A 284
HIS A 121
 None
 1.35A 5nn8A-4je5A:
undetectable		 5nn8A-4je5A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k05 CONSERVED
HYPOTHETICAL
EXPORTED PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 LEU A  71
ILE A 252
ARG A 176
ASP A 142
LEU A  60
 None
 1.48A 5nn8A-4k05A:
undetectable		 5nn8A-4k05A:
19.79
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.
4pvc NADPH-DEPENDENT
METHYLGLYOXAL
REDUCTASE GRE2

(Saccharomyces
cerevisiae) 		PF01073
(3Beta_HSD) 		5 ASP A 330
ILE A 240
ASP A 241
ARG A 243
PHE A  11
 None
 1.39A 5nn8A-4pvcA:
undetectable		 5nn8A-4pvcA:
16.57
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.
4quv DELTA(14)-STEROL
REDUCTASE

(Methylomicrobium
alcaliphilum) 		PF01222
(ERG4_ERG24) 		5 LEU A 275
ASP A 363
PHE A 388
LEU A 392
HIS A 384
 None
 1.15A 5nn8A-4quvA:
undetectable		 5nn8A-4quvA:
19.13
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.
4quv DELTA(14)-STEROL
REDUCTASE

(Methylomicrobium
alcaliphilum) 		PF01222
(ERG4_ERG24) 		5 TRP A 370
ASP A 363
PHE A 388
LEU A 392
HIS A 384
 None
 1.30A 5nn8A-4quvA:
undetectable		 5nn8A-4quvA:
19.13
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.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Myxococcus
xanthus) 		PF00753
(Lactamase_B) 		5 ASP A  61
ILE A  29
ASP A  30
ASP A 129
LEU A 132
 None
None
None
FE  A 301 (-3.1A)
None
 1.48A 5nn8A-4ysbA:
undetectable		 5nn8A-4ysbA:
14.68
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.
5b6k UNCHARACTERIZED
PROTEIN CGKR1

([Candida]
glabrata) 		PF01370
(Epimerase) 		5 ASP A 339
ILE A 250
ASP A 251
ARG A 253
PHE A  18
 None
 1.41A 5nn8A-5b6kA:
undetectable		 5nn8A-5b6kA:
16.91
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) 		6 ASP A 211
TRP A 285
ASP A 321
ARG A 385
ASP A 401
PHE A 434
 None
 1.31A 5nn8A-5djwA:
38.7		 5nn8A-5djwA:
29.85
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		6 ASP A 211
TRP A 285
TRP A 319
ASP A 321
ASP A 401
PHE A 434
 None
 1.35A 5nn8A-5djwA:
38.7		 5nn8A-5djwA:
29.85
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		6 ASP A 303
ASP A 443
ILE A 444
ARG A 617
ASP A 633
PHE A 666
 None
TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
 1.44A 5nn8A-5dkxA:
33.1		 5nn8A-5dkxA:
28.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 480
TRP A 517
TRP A 554
ASP A 556
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
None
TRS  A1001 ( 4.9A)
TRS  A1001 (-4.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.43A 5nn8A-5dkxA:
33.1		 5nn8A-5dkxA:
28.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 ASP A 303
ASP A 662
ASP A 633
ASP A 556
HIS A 691
 None
None
TRS  A1001 (-2.8A)
TRS  A1001 (-3.2A)
TRS  A1001 (-4.0A)
 1.48A 5nn8A-5dkxA:
33.1		 5nn8A-5dkxA:
28.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.54A 5nn8A-5f7cA:
30.6		 5nn8A-5f7cA:
23.99
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.
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
 0.59A 5nn8A-5f7sA:
36.6		 5nn8A-5f7sA:
23.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 305
ASP A 451
ILE A 452
ASP A 640
PHE A 673
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
 1.50A 5nn8A-5hjrA:
30.7		 5nn8A-5hjrA:
32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		10 ASP A 305
ASP A 451
ILE A 488
TRP A 525
TRP A 562
ASP A 564
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
None
5GF  A1021 (-3.7A)
5GF  A1021 (-4.6A)
5GF  A1021 (-2.1A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.41A 5nn8A-5hjrA:
30.7		 5nn8A-5hjrA:
32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 305
ASP A 669
ASP A 640
ASP A 564
HIS A 698
 None
5GF  A1021 ( 4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-2.1A)
5GF  A1021 (-4.0A)
 1.41A 5nn8A-5hjrA:
30.7		 5nn8A-5hjrA:
32.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.88A 5nn8A-5jouA:
40.8		 5nn8A-5jouA:
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		7 ASP A 441
TRP A 551
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.46A 5nn8A-5jouA:
40.8		 5nn8A-5jouA:
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 LEU A  91
ILE A  61
ASP A  66
ARG A  53
PHE A  45
 None
 1.14A 5nn8A-5od2A:
undetectable		 5nn8A-5od2A:
6.10
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 ASP A 163
LEU A 404
ILE A 141
PHE A 155
LEU A 207
 None
 1.22A 5nn8A-5u09A:
undetectable		 5nn8A-5u09A:
18.64
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 ASP B  62
ILE B  30
ASP B  31
ASP B 133
LEU B 136
 None
None
None
FE  B 500 (-3.1A)
None
 1.50A 5nn8A-5ve3B:
undetectable		 5nn8A-5ve3B:
17.68
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		6 TRP A 427
ASP A 429
ARG A 474
ASP A 491
PHE A 533
HIS A 565
 None
 0.44A 5nn8A-5x7sA:
33.0		 5nn8A-5x7sA:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF10588
(NADH-G_4Fe-4S_3)
PF13459
(Fer4_15)
PF13510
(Fer2_4) 		5 LEU D 410
ILE B 139
ASP B 149
ARG B 152
LEU C 101
 None
 1.28A 5nn8A-5xfaD:
undetectable		 5nn8A-5xfaD:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ASP A  46
LEU A 217
ILE A 228
ASP A 232
ARG A  38
 None
 1.42A 5nn8A-6enoA:
undetectable		 5nn8A-6enoA:
6.12
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ASP A  46
LEU A 259
ILE A 228
ASP A 232
ARG A  38
 None
 1.31A 5nn8A-6enoA:
undetectable		 5nn8A-6enoA:
6.12