SIMILAR PATTERNS OF AMINO ACIDS FOR 6EXI_B_ADNB503

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.
1hs7 SYNTAXIN VAM3

(Saccharomyces
cerevisiae) 		PF14523
(Syntaxin_2) 		3 LEU A  68
GLN A  40
LYS A  50
 None
 0.89A 6exiA-1hs7A:
undetectable		 6exiA-1hs7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		3 LEU A 288
GLN A 396
LYS A 309
 None
 0.67A 6exiA-1kfwA:
undetectable		 6exiA-1kfwA:
12.86
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.
1kyq SIROHEME
BIOSYNTHESIS PROTEIN
MET8

(Saccharomyces
cerevisiae) 		PF13241
(NAD_binding_7)
PF14823
(Sirohm_synth_C)
PF14824
(Sirohm_synth_M) 		3 LEU A 163
GLN A   6
LYS A  31
 None
 0.90A 6exiA-1kyqA:
4.0		 6exiA-1kyqA:
21.67
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.
1pdz ENOLASE

(Homarus
gammarus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 LEU A  81
GLN A  85
LYS A  95
 None
 0.88A 6exiA-1pdzA:
undetectable		 6exiA-1pdzA:
12.14
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		3 LEU A 207
GLN A 201
LYS A 170
 None
 0.91A 6exiA-1rf5A:
undetectable		 6exiA-1rf5A:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sig RNA POLYMERASE
PRIMARY SIGMA FACTOR

(Escherichia
coli) 		PF04542
(Sigma70_r2)
PF04546
(Sigma70_ner) 		3 LEU A 190
GLN A 187
LYS A 376
 None
 0.97A 6exiA-1sigA:
undetectable		 6exiA-1sigA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1stz HEAT-INDUCIBLE
TRANSCRIPTION
REPRESSOR HRCA
HOMOLOG

(Thermotoga
maritima) 		PF01628
(HrcA) 		3 LEU A  15
GLN A  19
LYS A  82
 None
 0.77A 6exiA-1stzA:
undetectable		 6exiA-1stzA:
13.31
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.
1u2c DYSTROGLYCAN

(Mus musculus) 		no annotation 3 LEU A 220
GLN A 213
LYS A 203
 None
 0.86A 6exiA-1u2cA:
undetectable		 6exiA-1u2cA:
17.03
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 456
GLN A 460
LYS A 473
 None
 0.43A 6exiA-1v8bA:
59.1		 6exiA-1v8bA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wp9 ATP-DEPENDENT RNA
HELICASE, PUTATIVE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 LEU A 288
GLN A 292
LYS A 303
 None
 0.98A 6exiA-1wp9A:
2.5		 6exiA-1wp9A:
9.89
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.
1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT

(Pseudomonas
putida) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		3 LEU A  35
GLN A  40
LYS A 112
 None
 0.75A 6exiA-1wveA:
undetectable		 6exiA-1wveA:
9.60
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		3 LEU A 530
GLN A 503
LYS A 513
 None
 0.75A 6exiA-1z26A:
2.1		 6exiA-1z26A:
8.10
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.
1zip ADENYLATE KINASE

(Geobacillus
stearothermophilus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		3 LEU A 120
GLN A 117
LYS A  13
 None
None
AP5  A 218 (-3.0A)
 0.90A 6exiA-1zipA:
undetectable		 6exiA-1zipA:
22.40
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		3 LEU A  56
GLN A 119
LYS A   1
 None
PO4  A 309 (-4.0A)
None
 1.00A 6exiA-2abqA:
5.0		 6exiA-2abqA:
13.92
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.
2cjw GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		3 LEU A 171
GLN A 174
LYS A  88
 None
None
GDP  A 999 (-2.7A)
 0.84A 6exiA-2cjwA:
2.3		 6exiA-2cjwA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2efj 3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE

(Coffea
canephora) 		PF03492
(Methyltransf_7) 		3 LEU A  43
GLN A  40
LYS A  92
 None
 0.96A 6exiA-2efjA:
undetectable		 6exiA-2efjA:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f4w UBIQUITIN-CONJUGATIN
G ENZYME E2, J2

(Homo sapiens) 		PF00179
(UQ_con) 		3 LEU A 142
GLN A 145
LYS A  88
 None
 0.88A 6exiA-2f4wA:
undetectable		 6exiA-2f4wA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		3 LEU A 415
GLN A 412
LYS A 393
 None
 0.95A 6exiA-2ffuA:
2.3		 6exiA-2ffuA:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		3 LEU A  50
GLN A  47
LYS A  63
 None
None
EDO  A1016 ( 4.7A)
 0.94A 6exiA-2hp3A:
undetectable		 6exiA-2hp3A:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		3 LEU A 377
GLN A 372
LYS A 134
 None
 0.92A 6exiA-2jisA:
undetectable		 6exiA-2jisA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kjg ARCHAEAL PROTEIN
SSO6904

(Sulfolobus
solfataricus) 		no annotation 3 LEU A  23
GLN A  26
LYS A  58
 None
 0.90A 6exiA-2kjgA:
undetectable		 6exiA-2kjgA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m09 SPLICING FACTOR 1

(Homo sapiens) 		PF16275
(SF1-HH) 		3 LEU A 112
GLN A  57
LYS A 104
 None
 0.99A 6exiA-2m09A:
undetectable		 6exiA-2m09A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mtd DECORIN BINDING
PROTEIN A

(Borreliella
garinii) 		PF02352
(Decorin_bind) 		3 LEU A  76
GLN A 168
LYS A 178
 None
 0.92A 6exiA-2mtdA:
undetectable		 6exiA-2mtdA:
20.12
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.
2nzj GTP-BINDING PROTEIN
REM 1

(Homo sapiens) 		PF00071
(Ras) 		3 LEU A 175
GLN A 178
LYS A  93
 None
None
GDP  A1001 (-3.0A)
 0.94A 6exiA-2nzjA:
3.9		 6exiA-2nzjA:
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 3 LEU A 649
GLN A 724
LYS A 740
 None
 0.96A 6exiA-2po4A:
undetectable		 6exiA-2po4A:
6.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2poe CYCLOPHILIN-LIKE
PROTEIN, PUTATIVE

(Cryptosporidium
parvum) 		PF00160
(Pro_isomerase) 		3 LEU A 131
GLN A 130
LYS A 108
 None
None
FMT  A 203 ( 4.8A)
 0.93A 6exiA-2poeA:
undetectable		 6exiA-2poeA:
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.
2pp3 L-TALARATE/GALACTARA
TE DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 LEU A 291
GLN A 288
LYS A 320
 None
 0.99A 6exiA-2pp3A:
undetectable		 6exiA-2pp3A:
11.64
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.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		3 LEU A 281
GLN A 284
LYS A 227
 None
 0.84A 6exiA-2qgmA:
undetectable		 6exiA-2qgmA:
13.54
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.
2qq4 IRON-SULFUR CLUSTER
BIOSYNTHESIS PROTEIN
ISCU

(Thermus
thermophilus) 		PF01592
(NifU_N) 		3 LEU A  25
GLN A  27
LYS A  79
 None
 0.96A 6exiA-2qq4A:
undetectable		 6exiA-2qq4A:
25.42
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.
2wa5 FILAMIN-B

(Homo sapiens) 		PF00307
(CH) 		3 LEU A 182
GLN A 204
LYS A 241
 None
 0.81A 6exiA-2wa5A:
undetectable		 6exiA-2wa5A:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wvf PUTATIVE
NICKEL-RESPONSIVE
REGULATOR

(Helicobacter
pylori) 		PF01402
(RHH_1)
PF08753
(NikR_C) 		3 LEU A 138
GLN A 124
LYS A  64
 None
 0.92A 6exiA-2wvfA:
undetectable		 6exiA-2wvfA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		3 LEU A  50
GLN A  49
LYS A 192
 None
 0.75A 6exiA-2xn1A:
undetectable		 6exiA-2xn1A:
8.58
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.
2xwu IMPORTIN13

(Homo sapiens) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		3 LEU B 164
GLN B 160
LYS B 224
 None
 0.88A 6exiA-2xwuB:
undetectable		 6exiA-2xwuB:
6.97
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.
2ywm GLUTAREDOXIN-LIKE
PROTEIN

(Aquifex
aeolicus) 		PF13192
(Thioredoxin_3) 		3 LEU A 181
GLN A 184
LYS A 171
 None
 0.97A 6exiA-2ywmA:
undetectable		 6exiA-2ywmA:
14.09
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.
2yzu THIOREDOXIN

(Thermus
thermophilus) 		PF00085
(Thioredoxin) 		3 LEU A  89
GLN A  93
LYS A 104
 None
 1.00A 6exiA-2yzuA:
undetectable		 6exiA-2yzuA:
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.
3bd9 HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
5

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 LEU A 263
GLN A 281
LYS A 271
 None
 0.88A 6exiA-3bd9A:
undetectable		 6exiA-3bd9A:
15.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 472
GLN A 476
LYS A 489
 None
 0.39A 6exiA-3ce6A:
59.6		 6exiA-3ce6A:
60.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clk TRANSCRIPTION
REGULATOR

(Lactobacillus
plantarum) 		PF13377
(Peripla_BP_3) 		3 LEU A 239
GLN A 180
LYS A 217
 None
 0.75A 6exiA-3clkA:
2.4		 6exiA-3clkA:
15.55
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.
3etv PROTEIN TRANSPORT
PROTEIN TIP20,
PROTEIN TRANSPORT
PROTEIN DSL1 CHIMERA

(Saccharomyces
cerevisiae) 		PF11988
(Dsl1_N) 		3 LEU A 129
GLN A 203
LYS A 137
 None
 0.90A 6exiA-3etvA:
undetectable		 6exiA-3etvA:
10.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Mus musculus) 		PF00288
(GHMP_kinases_N) 		3 LEU A 389
GLN A 397
LYS A  49
 None
 0.89A 6exiA-3f0nA:
undetectable		 6exiA-3f0nA:
12.37
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.
3fb4 ADENYLATE KINASE

(Jeotgalibacillus
marinus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		3 LEU A 120
GLN A 117
LYS A  13
 None
None
AP5  A   0 (-3.1A)
 0.70A 6exiA-3fb4A:
undetectable		 6exiA-3fb4A:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 450
GLN A 454
LYS A 467
 None
 0.31A 6exiA-3glqA:
60.2		 6exiA-3glqA:
61.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gvp ADENOSYLHOMOCYSTEINA
SE 3

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 588
GLN A 592
LYS A 605
 None
 0.35A 6exiA-3gvpA:
43.4		 6exiA-3gvpA:
51.25
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.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 414
GLN A 418
LYS A 431
 None
 0.43A 6exiA-3h9uA:
56.3		 6exiA-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 LEU A 245
GLN A 248
LYS A  77
 None
MG  A 426 (-4.2A)
None
 0.91A 6exiA-3hrdA:
undetectable		 6exiA-3hrdA:
12.17
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.
3i4r NUCLEAR PORE COMPLEX
PROTEIN NUP133

(Homo sapiens) 		PF03177
(Nucleoporin_C) 		3 LEU B1119
GLN B1155
LYS B1097
 None
 0.90A 6exiA-3i4rB:
undetectable		 6exiA-3i4rB:
9.98
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.
3ih5 ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA-SUBUNIT

(Bacteroides
thetaiotaomicron) 		PF01012
(ETF) 		3 LEU A 139
GLN A 163
LYS A 134
 None
 0.81A 6exiA-3ih5A:
3.3		 6exiA-3ih5A:
16.14
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.
3mpp BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 LEU G1270
GLN G1267
LYS G1219
 None
 0.96A 6exiA-3mppG:
undetectable		 6exiA-3mppG:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 443
GLN A 447
LYS A 460
 None
 0.20A 6exiA-3n58A:
61.1		 6exiA-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0y LIPOPROTEIN

(Colwellia
psychrerythraea) 		PF05960
(DUF885) 		3 LEU A 300
GLN A 304
LYS A 562
 None
 0.88A 6exiA-3o0yA:
undetectable		 6exiA-3o0yA:
11.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 462
GLN A 466
LYS A 479
 None
 0.26A 6exiA-3oneA:
56.4		 6exiA-3oneA:
64.20
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris;
Komagataella
pastoris) 		PF00365
(PFK)
PF00365
(PFK) 		3 LEU A  84
GLN A  85
LYS B 573
 None
 0.96A 6exiA-3opyA:
2.5		 6exiA-3opyA:
6.38
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.
3s9f TRYPAREDOXIN

(Leishmania
major) 		PF13905
(Thioredoxin_8) 		3 LEU A 131
GLN A  49
LYS A  61
 None
 0.60A 6exiA-3s9fA:
undetectable		 6exiA-3s9fA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		3 LEU X 320
GLN X 323
LYS X   6
 None
 0.92A 6exiA-3ss7X:
3.4		 6exiA-3ss7X:
11.90
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.
3taw HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Parabacteroides
distasonis) 		PF04041
(Glyco_hydro_130) 		3 LEU A 274
GLN A 273
LYS A 207
 None
None
UNL  A 387 (-2.7A)
 0.80A 6exiA-3tawA:
undetectable		 6exiA-3tawA:
13.17
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.
3trc PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Coxiella
burnetii) 		PF01590
(GAF) 		3 LEU A 104
GLN A  64
LYS A  99
 None
 0.91A 6exiA-3trcA:
undetectable		 6exiA-3trcA:
20.48
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		3 LEU A 341
GLN A  23
LYS A 357
 None
 0.82A 6exiA-3u95A:
4.4		 6exiA-3u95A:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		3 LEU A 370
GLN A 371
LYS A  76
 None
 0.92A 6exiA-4arsA:
undetectable		 6exiA-4arsA:
12.53
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.
4b7l FILAMIN-B

(Homo sapiens) 		PF00307
(CH)
PF00630
(Filamin) 		3 LEU A 107
GLN A  41
LYS A  13
 None
 0.99A 6exiA-4b7lA:
undetectable		 6exiA-4b7lA:
13.39
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.
4b8c GLUCOSE-REPRESSIBLE
ALCOHOL
DEHYDROGENASE
TRANSCRIPTIONAL
EFFECTOR

(Saccharomyces
cerevisiae) 		PF03372
(Exo_endo_phos)
PF13855
(LRR_8) 		3 LEU D 540
GLN D 543
LYS D 557
 None
 0.92A 6exiA-4b8cD:
undetectable		 6exiA-4b8cD:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c0r PUTATIVE AMINO ACID
BINDING PROTEIN

(Streptococcus
mutans) 		PF00497
(SBP_bac_3) 		3 LEU A 138
GLN A 125
LYS A 160
 None
None
GDS  A 500 (-2.7A)
 1.00A 6exiA-4c0rA:
undetectable		 6exiA-4c0rA:
15.98
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.
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF01399
(PCI) 		3 LEU C  77
GLN C  80
LYS C  65
 None
 0.94A 6exiA-4d10C:
undetectable		 6exiA-4d10C:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14
RNA15

(Kluyveromyces
lactis;
Kluyveromyces
lactis) 		PF05843
(Suf)
PF14327
(CSTF2_hinge) 		3 LEU G 171
GLN G 170
LYS A 624
 None
 0.85A 6exiA-4ebaG:
undetectable		 6exiA-4ebaG:
19.11
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.
4hgv FUMARATE HYDRATASE
CLASS II

(Sinorhizobium
meliloti) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		3 LEU A  40
GLN A  37
LYS A  49
 None
 0.82A 6exiA-4hgvA:
undetectable		 6exiA-4hgvA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jeu SYNTAXIN-BINDING
PROTEIN 1

(Rattus
norvegicus) 		PF00995
(Sec1) 		3 LEU A 547
GLN A 250
LYS A 577
 None
 0.95A 6exiA-4jeuA:
3.5		 6exiA-4jeuA:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kxr ESPG5

(Mycobacterium
tuberculosis) 		PF14011
(ESX-1_EspG) 		3 LEU C 268
GLN C 256
LYS C 245
 None
 0.98A 6exiA-4kxrC:
undetectable		 6exiA-4kxrC:
15.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 450
GLN A 454
LYS A 467
 None
 0.16A 6exiA-4lvcA:
68.4		 6exiA-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		3 LEU A 512
GLN A 516
LYS A 443
 None
 0.94A 6exiA-4nnbA:
undetectable		 6exiA-4nnbA:
9.96
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.
4r61 GP41-BASED CONSTRUCT
COVNHR3-ABC

(Human
immunodeficiency
virus 1) 		no annotation 3 LEU A  85
GLN A  23
LYS A  33
 None
 0.88A 6exiA-4r61A:
undetectable		 6exiA-4r61A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 3 LEU A 302
GLN A 306
LYS A 377
 None
 0.82A 6exiA-4tz5A:
undetectable		 6exiA-4tz5A:
10.27
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.
4wbd BSHC

(Bacillus
subtilis) 		PF10079
(BshC) 		3 LEU A   6
GLN A 399
LYS A 538
 None
 0.86A 6exiA-4wbdA:
undetectable		 6exiA-4wbdA:
11.16
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.
5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		3 LEU B 266
GLN B 265
LYS B 199
 None
None
MAN  B1485 ( 2.8A)
 0.81A 6exiA-5a7vB:
undetectable		 6exiA-5a7vB:
12.53
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.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 LEU A 907
GLN A 911
LYS A1064
 None
None
U  C   4 ( 4.5A)
 0.77A 6exiA-5aorA:
3.0		 6exiA-5aorA:
5.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm5 PUTATIVE ACYL-COA
THIOESTER HYDROLASE

(Yersinia pestis) 		PF03061
(4HBT) 		3 LEU A  21
GLN A  44
LYS A  54
 None
 0.85A 6exiA-5dm5A:
undetectable		 6exiA-5dm5A:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eg6 RECOMBINING BINDING
PROTEIN SUPPRESSOR
OF HAIRLESS

(Mus musculus) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		3 LEU C 316
GLN C 333
LYS C 275
 None
 0.96A 6exiA-5eg6C:
undetectable		 6exiA-5eg6C:
10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		3 LEU A 402
GLN A 406
LYS A 394
 None
 0.94A 6exiA-5ej1A:
2.7		 6exiA-5ej1A:
8.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5flz SPINDLE POLE BODY
COMPONENT SPC97

(Saccharomyces
cerevisiae) 		PF04130
(Spc97_Spc98) 		3 LEU A 189
GLN A 115
LYS A 125
 None
 0.99A 6exiA-5flzA:
undetectable		 6exiA-5flzA:
7.68
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.
5jem CREB-BINDING PROTEIN

(Homo sapiens) 		PF09030
(Creb_binding)
PF11707
(Npa1) 		3 LEU C2087
GLN C2084
LYS C2065
 None
 0.99A 6exiA-5jemC:
undetectable		 6exiA-5jemC:
16.25
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.
5k1g 1-CYS PEROXIREDOXIN

(Vibrio
vulnificus) 		PF08534
(Redoxin) 		3 LEU A  95
GLN A  15
LYS A  33
 None
 0.86A 6exiA-5k1gA:
undetectable		 6exiA-5k1gA:
24.12
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.
5k35 ANKYRIN-REPEAT
PROTEIN B

(Legionella
pneumophila) 		PF12937
(F-box-like) 		3 LEU A  72
GLN A 108
LYS A  80
 None
 0.92A 6exiA-5k35A:
undetectable		 6exiA-5k35A:
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.
5mdx CHLOROPHYLL A-B
BINDING PROTEIN
CP26, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00504
(Chloroa_b-bind) 		3 LEU S 220
GLN S 217
LYS S  61
 None
 0.94A 6exiA-5mdxS:
undetectable		 6exiA-5mdxS:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		3 LEU N 253
GLN N 256
LYS N 244
 None
 0.99A 6exiA-5mpdN:
undetectable		 6exiA-5mpdN:
6.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		3 LEU O 336
GLN O 354
LYS O 290
 None
 0.88A 6exiA-5mpdO:
undetectable		 6exiA-5mpdO:
12.11
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.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 LEU A1968
GLN A1971
LYS A1951
 None
 0.98A 6exiA-5nnnA:
8.9		 6exiA-5nnnA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 3 LEU W 376
GLN W 380
LYS W 446
 ADP  W1501 (-4.1A)
None
None
 0.96A 6exiA-5o9gW:
2.8		 6exiA-5o9gW:
4.93
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.
5ot4 INTERAPTIN

(Legionella
pneumophila) 		no annotation 3 LEU A 711
GLN A 708
LYS A 807
 None
 0.90A 6exiA-5ot4A:
undetectable		 6exiA-5ot4A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 472
GLN A 476
LYS A 489
 None
 0.26A 6exiA-5utuA:
53.7		 6exiA-5utuA:
9.38
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Saccharomyces
cerevisiae) 		no annotation 3 LEU C  60
GLN C  63
LYS C 291
 None
 0.87A 6exiA-5v8fC:
undetectable		 6exiA-5v8fC:
8.91
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 449
GLN A 453
LYS A 466
 None
 0.23A 6exiA-5v96A:
61.0		 6exiA-5v96A:
13.09
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.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 3 LEU A 564
GLN A 546
LYS A 555
 A  B   2 ( 4.0A)
A  B   1 ( 3.0A)
None
 0.71A 6exiA-5vm9A:
undetectable		 6exiA-5vm9A:
7.95
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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 409
GLN A 413
LYS A 426
 None
 0.22A 6exiA-5w4bA:
48.4		 6exiA-5w4bA:
12.89
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.
5w68 PUTATIVE TYPE II
SECRETION PROTEIN

(Escherichia
coli) 		no annotation 3 LEU A 483
GLN A 362
LYS A 293
 None
 0.99A 6exiA-5w68A:
undetectable		 6exiA-5w68A:
11.93
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.
5wfi -

(-) 		no annotation 3 LEU A1637
GLN A1663
LYS A1610
 None
GOL  A2002 (-3.8A)
None
 0.95A 6exiA-5wfiA:
undetectable		 6exiA-5wfiA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yi0 ZINC TRANSPORT
TRANSCRIPTIONAL
REGULATOR

(Lactococcus
lactis) 		no annotation 3 LEU B  36
GLN B  40
LYS B 100
 None
 0.74A 6exiA-5yi0B:
undetectable		 6exiA-5yi0B:
26.14
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 3 LEU A 369
GLN A 366
LYS A 438
 None
 0.96A 6exiA-5z06A:
undetectable		 6exiA-5z06A:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		3 LEU A 414
GLN A 418
LYS A 431
 None
 0.22A 6exiA-6aphA:
56.9		 6exiA-6aphA:
69.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bc1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 28

(Homo sapiens) 		no annotation 3 LEU C1055
GLN C1052
LYS C1084
 None
 0.99A 6exiA-6bc1C:
undetectable		 6exiA-6bc1C:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 3 LEU B 446
GLN B 450
LYS B 463
 None
 0.30A 6exiA-6f3mB:
52.3		 6exiA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 3 LEU A 412
GLN A 416
LYS A 429
 None
 0.19A 6exiA-6gbnA:
57.3		 6exiA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gw5 -

(-) 		no annotation 3 LEU A  94
GLN A 160
LYS A 150
 None
 0.99A 6exiA-6gw5A:
undetectable		 6exiA-6gw5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  28
GLY A  30
VAL A  54
ASP A  55
ILE A 123
 NAD  A 352 (-3.6A)
NAD  A 352 (-2.6A)
NAD  A 352 (-4.4A)
None
None
 0.76A 6exiB-1a5zA:
4.6		 6exiB-1a5zA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  16
GLY A  18
GLU A  39
THR A 147
ASN A 277
 FAD  A 462 (-3.4A)
FAD  A 462 (-3.3A)
FAD  A 462 (-2.5A)
FAD  A 462 (-4.0A)
None
 0.93A 6exiB-1ebdA:
3.3		 6exiB-1ebdA:
11.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4q GLUTATHIONE
REDUCTASE

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  27
GLY A  29
GLU A  50
THR A 156
ASN A 294
 FAD  A 499 (-3.3A)
FAD  A 499 (-3.3A)
FAD  A 499 (-2.8A)
FAD  A 499 (-3.9A)
FAD  A 499 ( 4.5A)
 0.71A 6exiB-1k4qA:
4.6		 6exiB-1k4qA:
9.11
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.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 376
GLY A 379
SER A 277
ASN A  58
ILE A  61
 None
 1.15A 6exiB-1ko0A:
undetectable		 6exiB-1ko0A:
13.20
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 260
GLY A 306
ASP A 303
THR A 277
ASN A 274
 None
None
CA  A 702 (-3.4A)
None
None
 1.17A 6exiB-1lrwA:
undetectable		 6exiB-1lrwA:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		5 GLY B 144
GLY B  55
ASP B 146
ASN B 296
ILE B 299
 None
ATP  B   5 ( 4.0A)
ATP  B   5 (-2.9A)
None
None
 1.17A 6exiB-1r4nB:
4.7		 6exiB-1r4nB:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 GLY A  12
GLY A  14
GLU A  40
THR A  93
ILE A  98
 None
 0.65A 6exiB-1tveA:
undetectable		 6exiB-1tveA:
17.13
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.
1u7h ORNITHINE
CYCLODEAMINASE

(Pseudomonas
putida) 		PF02423
(OCD_Mu_crystall) 		5 GLY A 136
GLY A 138
ASP A 163
THR A 202
ILE A 210
 NAD  A 802 ( 3.8A)
NAD  A 802 (-3.3A)
None
NAD  A 802 (-4.1A)
None
 0.29A 6exiB-1u7hA:
11.1		 6exiB-1u7hA:
13.16
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 264
GLY A 266
GLU A 287
ASP A 289
CYH A 292
THR A 320
ASN A 322
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.5A)
NAD  A 501 (-2.9A)
NAD  A 501 (-4.9A)
NAD  A 501 (-3.4A)
NAD  A 501 (-3.8A)
NAD  A 501 (-3.8A)
 0.19A 6exiB-1v8bA:
55.2		 6exiB-1v8bA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1we8 TUDOR AND KH DOMAIN
CONTAINING PROTEIN

(Mus musculus) 		PF00013
(KH_1) 		5 GLY A  45
SER A  44
GLU A  72
VAL A  73
ILE A  48
 None
 1.09A 6exiB-1we8A:
undetectable		 6exiB-1we8A:
19.61
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.
1wxq GTP-BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF08438
(MMR_HSR1_C) 		5 GLY A  40
VAL A   5
ASP A  77
THR A  42
ILE A 309
 None
 1.21A 6exiB-1wxqA:
undetectable		 6exiB-1wxqA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		6 GLY A 169
GLY A 171
GLU A 192
VAL A 193
ASP A 194
THR A 260
 NAD  A 600 ( 3.8A)
NAD  A 600 (-3.3A)
NAD  A 600 (-2.7A)
NAD  A 600 (-4.1A)
None
NAD  A 600 (-4.4A)
 0.52A 6exiB-1x87A:
7.0		 6exiB-1x87A:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 GLY B  12
GLY B  14
GLU B  35
THR B 201
ILE B 208
 FAD  B 800 (-3.3A)
FAD  B 800 (-3.3A)
FAD  B 800 (-2.7A)
FAD  B 800 (-4.2A)
None
 0.54A 6exiB-1y56B:
undetectable		 6exiB-1y56B:
12.20
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		5 GLY A  98
GLY A 100
GLU A 122
ASP A 124
ILE A 151
 None
 1.20A 6exiB-1yb2A:
3.9		 6exiB-1yb2A:
16.17
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  11
GLY A  13
GLU A  34
THR A 146
ASN A 272
 FAD  A 666 (-3.2A)
FAD  A 666 (-3.4A)
FAD  A 666 (-2.5A)
FAD  A 666 (-3.8A)
SO4  A2002 (-3.8A)
 0.93A 6exiB-1zk7A:
4.0		 6exiB-1zk7A:
10.28
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.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 GLY A  64
GLY A  66
GLU A  85
ASP A  87
ILE A 133
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-2.8A)
None
SAM  A4000 ( 4.5A)
 1.15A 6exiB-1zq9A:
3.4		 6exiB-1zq9A:
13.52
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.
2a6v EMP46P

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 GLY A 105
VAL A  38
ASP A  36
THR A 202
ILE A 215
 None
 1.11A 6exiB-2a6vA:
undetectable		 6exiB-2a6vA:
17.90
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.
2a6v EMP46P

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 GLY A 106
VAL A  38
ASP A  36
THR A 202
ILE A 215
 None
 1.17A 6exiB-2a6vA:
undetectable		 6exiB-2a6vA:
17.90
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  10
GLY A  12
GLU A  33
THR A 142
ASN A 272
 FAD  A 480 (-3.2A)
FAD  A 480 (-3.5A)
FAD  A 480 (-2.6A)
FAD  A 480 (-3.9A)
None
 0.91A 6exiB-2a8xA:
2.5		 6exiB-2a8xA:
11.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2db5 INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  40
SER A  65
VAL A  61
ASP A  60
ILE A  31
 None
 1.06A 6exiB-2db5A:
undetectable		 6exiB-2db5A:
19.70
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		6 GLY A 170
GLY A 172
GLU A 193
VAL A 194
ASP A 195
THR A 261
 NAD  A5555 ( 4.0A)
NAD  A5555 (-3.3A)
NAD  A5555 (-2.8A)
NAD  A5555 (-4.4A)
None
NAD  A5555 (-4.4A)
 0.57A 6exiB-2fknA:
8.1		 6exiB-2fknA:
9.83
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A  75
GLY A  71
ASP A  38
ASN A 217
ILE A 184
 None
 1.14A 6exiB-2fqdA:
undetectable		 6exiB-2fqdA:
8.25
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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 549
GLY A 547
VAL A 491
THR A 552
ILE A 558
 None
 1.03A 6exiB-2gepA:
undetectable		 6exiB-2gepA:
11.58
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  73
GLU A  96
VAL A  97
ASP A  98
CYH A 101
 SAH  A 300 (-3.1A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.2A)
None
SAH  A 300 (-3.6A)
 0.38A 6exiB-2h00A:
4.6		 6exiB-2h00A:
15.60
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  73
GLY A  75
VAL A  97
ASP A  98
CYH A 101
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.2A)
None
SAH  A 300 (-3.6A)
 1.16A 6exiB-2h00A:
4.6		 6exiB-2h00A:
15.60
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.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 GLY A 112
GLY A 110
GLU A  75
ASP A 104
ILE A  90
 None
 1.19A 6exiB-2hxvA:
undetectable		 6exiB-2hxvA:
16.04
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 GLY A   8
GLY A  10
GLU A  32
THR A 110
ASN A 242
 FAD  A 400 (-3.2A)
FAD  A 400 (-3.4A)
FAD  A 400 (-2.8A)
FAD  A 400 (-4.2A)
None
 0.91A 6exiB-2q0lA:
3.6		 6exiB-2q0lA:
12.70
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 GLY A  15
GLY A  17
GLU A  38
THR A 119
ASN A 250
 FAD  A 348 (-3.3A)
FAD  A 348 (-3.4A)
FAD  A 348 (-2.7A)
FAD  A 348 (-3.8A)
FAD  A 348 ( 4.1A)
 0.75A 6exiB-2q7vA:
3.0		 6exiB-2q7vA:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 356
GLY A 359
SER A 268
ASN A  50
ILE A  53
 None
 1.10A 6exiB-2qghA:
2.3		 6exiB-2qghA:
11.25
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 GLY A 270
ASP A 319
THR A 322
ASN A 381
ILE A 385
 None
 0.96A 6exiB-2vr2A:
undetectable		 6exiB-2vr2A:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 319
GLY A 321
GLU A 342
VAL A 343
ILE A 409
 None
 0.62A 6exiB-2wtbA:
3.5		 6exiB-2wtbA:
8.28
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.
2xt0 HALOALKANE
DEHALOGENASE

(Plesiocystis
pacifica) 		PF00561
(Abhydrolase_1) 		5 GLY A 239
VAL A 140
ASP A 141
THR A 241
ILE A 264
 None
 1.05A 6exiB-2xt0A:
2.3		 6exiB-2xt0A:
20.93
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		5 GLY A  75
ASP A 182
THR A  74
ASN A 247
ILE A 249
 None
 1.03A 6exiB-3bydA:
undetectable		 6exiB-3bydA:
17.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 282
GLY A 284
GLU A 305
ASP A 307
THR A 338
ASN A 340
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
None
NAD  A 550 (-4.1A)
NAD  A 550 (-3.9A)
NAD  A 550 (-4.7A)
 0.19A 6exiB-3ce6A:
55.7		 6exiB-3ce6A:
60.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A 116
GLU A 279
VAL A 111
THR A 114
ASN A 151
 None
None
None
None
MG  A   1 ( 4.3A)
 1.23A 6exiB-3fefA:
4.0		 6exiB-3fefA:
13.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 219
GLY A 221
GLU A 242
VAL A 243
ASP A 244
THR A 275
ASN A 277
ILE A 280
 NAD  A 439 (-3.5A)
NAD  A 439 (-3.5A)
NAD  A 439 (-2.9A)
NAD  A 439 (-4.1A)
None
NAD  A 439 (-4.0A)
NAD  A 439 ( 4.4A)
NAD  A 439 (-4.7A)
 0.35A 6exiB-3g1uA:
53.6		 6exiB-3g1uA:
71.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 263
GLY A 265
GLU A 286
ASP A 288
CYH A 291
THR A 319
ASN A 321
 NAD  A 601 (-3.6A)
NAD  A 601 (-3.2A)
NAD  A 601 (-2.9A)
NAD  A 601 (-4.9A)
NAD  A 601 (-3.4A)
NAD  A 601 (-4.1A)
NAD  A 601 (-3.9A)
 0.16A 6exiB-3glqA:
59.0		 6exiB-3glqA:
61.11
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.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 GLY A 211
GLY A 213
GLU A 215
ASN A 239
ILE A 205
 None
 1.18A 6exiB-3grpA:
9.5		 6exiB-3grpA:
16.54
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 ( 4.4A)
 1.04A 6exiB-3gryA:
3.9		 6exiB-3gryA:
15.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gvp ADENOSYLHOMOCYSTEINA
SE 3

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 399
GLY A 401
GLU A 422
ASP A 424
CYH A 427
THR A 455
ASN A 457
 NAD  A 608 (-3.6A)
NAD  A 608 (-3.4A)
NAD  A 608 (-2.9A)
None
NAD  A 608 (-3.5A)
NAD  A 608 (-4.0A)
NAD  A 608 (-3.8A)
 0.25A 6exiB-3gvpA:
42.6		 6exiB-3gvpA:
51.25
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.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 219
GLY A 221
GLU A 242
VAL A 243
ASP A 244
THR A 275
ASN A 277
ILE A 280
 NAD  A 438 ( 3.7A)
NAD  A 438 (-3.3A)
NAD  A 438 (-2.9A)
NAD  A 438 (-4.2A)
None
NAD  A 438 (-4.0A)
NAD  A 438 (-4.1A)
NAD  A 438 (-4.6A)
 0.18A 6exiB-3h9uA:
55.1		 6exiB-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 219
GLY A 224
THR A 275
ASN A 277
ILE A 280
 NAD  A 438 ( 3.7A)
None
NAD  A 438 (-4.0A)
NAD  A 438 (-4.1A)
NAD  A 438 (-4.6A)
 1.24A 6exiB-3h9uA:
55.1		 6exiB-3h9uA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ic9 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Colwellia
psychrerythraea) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
GLY A  14
GLU A  35
THR A 141
ASN A 272
 FAD  A 490 (-3.1A)
FAD  A 490 (-3.2A)
FAD  A 490 (-2.8A)
FAD  A 490 (-4.0A)
FAD  A 490 ( 4.9A)
 0.80A 6exiB-3ic9A:
undetectable		 6exiB-3ic9A:
15.12
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 219
GLY A 221
SER A 242
GLU A 243
THR A 288
 None
 0.65A 6exiB-3ip1A:
10.2		 6exiB-3ip1A:
11.06
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.
3jc6 DNA REPLICATION
COMPLEX GINS PROTEIN
PSF1

(Saccharomyces
cerevisiae) 		PF05916
(Sld5) 		5 GLY A   6
GLY A   3
CYH A  78
ASN A  39
ILE A  36
 None
 1.17A 6exiB-3jc6A:
undetectable		 6exiB-3jc6A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 GLY A 433
GLY A 431
THR A 434
ASN A 286
ILE A 289
 None
 1.19A 6exiB-3mp7A:
undetectable		 6exiB-3mp7A:
12.27
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.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 256
GLY A 258
GLU A 279
VAL A 280
ASP A 281
CYH A 284
THR A 312
ASN A 314
 NAD  A 550 (-3.6A)
NAD  A 550 (-3.3A)
NAD  A 550 (-2.8A)
NAD  A 550 (-4.2A)
None
NAD  A 550 (-3.5A)
NAD  A 550 (-4.0A)
NAD  A 550 (-4.1A)
 0.20A 6exiB-3n58A:
60.1		 6exiB-3n58A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
GLY A  14
GLU A  35
THR A 141
ASN A 268
 FAD  A 500 (-3.2A)
FAD  A 500 (-3.3A)
FAD  A 500 (-2.6A)
FAD  A 500 (-3.9A)
FAD  A 500 ( 4.5A)
 0.82A 6exiB-3o0hA:
3.6		 6exiB-3o0hA:
10.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 269
GLY A 271
GLU A 292
ASP A 294
CYH A 297
THR A 325
ASN A 327
ILE A 330
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.2A)
NAD  A 501 (-2.9A)
None
NAD  A 501 (-3.5A)
NAD  A 501 (-4.0A)
NAD  A 501 (-3.9A)
NAD  A 501 (-4.8A)
 0.15A 6exiB-3oneA:
55.4		 6exiB-3oneA:
64.20
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 GLY A   9
GLY A 221
GLU A  15
ASP A  14
ILE A   7
 None
None
None
CIT  A 421 ( 4.1A)
None
 0.95A 6exiB-3r7tA:
undetectable		 6exiB-3r7tA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 182
GLY A 184
GLU A 205
THR A 273
ILE A 150
 None
 0.77A 6exiB-3urhA:
3.5		 6exiB-3urhA:
10.55
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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		5 GLY A 172
GLY A 141
ASP A 166
THR A 190
ILE A 215
 None
 1.16A 6exiB-3wcxA:
undetectable		 6exiB-3wcxA:
12.64
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 237
GLY A 235
VAL A  16
THR A 240
ILE A  78
 None
 1.13A 6exiB-3wsvA:
5.2		 6exiB-3wsvA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 114
GLY A 165
SER A  72
THR A  78
ILE A  74
 None
 1.19A 6exiB-4a0sA:
8.1		 6exiB-4a0sA:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 GLY A 254
GLY A 300
ASP A 297
THR A 271
ASN A 268
 None
None
CA  A 702 (-3.6A)
None
None
 1.18A 6exiB-4aahA:
undetectable		 6exiB-4aahA:
9.09
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 GLY A 460
VAL A 452
ASP A 456
THR A 459
ILE A 539
 None
 1.07A 6exiB-4fj6A:
undetectable		 6exiB-4fj6A:
9.54
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.
4g38 SULFITE REDUCTASE
[NADPH] HEMOPROTEIN
BETA-COMPONENT

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 549
GLY A 547
VAL A 491
THR A 552
ILE A 558
 None
 1.04A 6exiB-4g38A:
undetectable		 6exiB-4g38A:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A 239
GLY A 241
GLU A 261
ASP A 263
THR A 305
 AGS  A 502 (-3.3A)
AGS  A 502 (-3.1A)
AGS  A 502 (-2.4A)
None
AGS  A 502 (-4.1A)
 0.79A 6exiB-4j9vA:
9.1		 6exiB-4j9vA:
9.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		5 GLY A 460
GLY A 428
THR A 405
ASN A 406
ILE A 407
 None
 1.08A 6exiB-4jo0A:
undetectable		 6exiB-4jo0A:
11.14
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 GLY A  50
GLY A  52
GLU A  72
ASP A  74
CYH A  77
 None
 1.02A 6exiB-4jxjA:
4.4		 6exiB-4jxjA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 GLY A 196
GLY A  54
ASP A 217
THR A 193
ILE A 174
 None
ANP  A1001 ( 4.6A)
None
None
None
 0.89A 6exiB-4jz7A:
2.7		 6exiB-4jz7A:
14.61
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.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		5 GLY A  29
GLY A  35
THR A  28
ASN A 105
ILE A  81
 GOL  A 407 (-3.3A)
None
None
None
None
 1.18A 6exiB-4kzpA:
8.4		 6exiB-4kzpA:
18.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 GLY A 261
GLY A 263
SER A 283
GLU A 284
VAL A 285
ASP A 286
CYH A 289
THR A 317
ASN A 319
ILE A 322
 NAD  A 503 ( 3.8A)
NAD  A 503 (-3.2A)
NAD  A 503 ( 3.7A)
NAD  A 503 (-2.9A)
NAD  A 503 (-4.3A)
None
NAD  A 503 (-3.6A)
NAD  A 503 (-4.1A)
NAD  A 503 (-4.0A)
NAD  A 503 (-4.7A)
 0.12A 6exiB-4lvcA:
63.5		 6exiB-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 261
GLY A 266
SER A 283
THR A 317
ASN A 319
ILE A 322
 NAD  A 503 ( 3.8A)
None
NAD  A 503 ( 3.7A)
NAD  A 503 (-4.1A)
NAD  A 503 (-4.0A)
NAD  A 503 (-4.7A)
 1.13A 6exiB-4lvcA:
63.5		 6exiB-4lvcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 296
GLU A  49
VAL A  35
CYH A  51
ILE A 352
 None
 1.18A 6exiB-4mggA:
undetectable		 6exiB-4mggA:
11.86
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 GLY A  46
GLY A  44
GLU A 317
VAL A 318
ILE A 144
 None
 0.93A 6exiB-4mo9A:
2.7		 6exiB-4mo9A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 227
GLY A 224
VAL A 219
ASP A 220
ILE A 233
 None
 1.10A 6exiB-4qg5A:
undetectable		 6exiB-4qg5A:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 GLY B 288
GLY B 334
ASP B 331
THR B 305
ASN B 302
 None
None
CA  B 701 ( 3.1A)
None
None
 1.20A 6exiB-4tqoB:
undetectable		 6exiB-4tqoB:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xko HEAT SHOCK COGNATE
90 KDA PROTEIN

(Dictyostelium
discoideum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 GLY A 127
GLY A 122
GLU A  36
VAL A  32
ILE A  22
 None
 1.10A 6exiB-4xkoA:
undetectable		 6exiB-4xkoA:
16.09
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.
4y9d C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 GLY A  13
GLY A  19
THR A  12
ASN A  90
ILE A  64
 NAI  A 401 (-2.9A)
None
None
None
NAI  A 401 (-3.9A)
 1.20A 6exiB-4y9dA:
7.8		 6exiB-4y9dA:
14.40
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.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		5 GLY A  18
GLY A  20
GLU A  61
THR A 100
ILE A 109
 None
 0.98A 6exiB-4yt2A:
4.8		 6exiB-4yt2A:
15.86
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 5 GLY A   7
GLY A   9
SER A  49
GLU A  50
ILE A  98
 None
 0.83A 6exiB-4yteA:
8.3		 6exiB-4yteA:
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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLY A  88
GLY A  90
VAL A 272
THR A  87
ILE A 299
 None
 1.13A 6exiB-5dmxA:
undetectable		 6exiB-5dmxA:
15.06
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.
5fms INTRAFLAGELLAR
TRANSPORT PROTEIN 52
HOMOLOG

(Mus musculus) 		PF09822
(ABC_transp_aux) 		5 GLY A 215
GLY A  88
VAL A  85
CYH A 217
ILE A 108
 None
 1.16A 6exiB-5fmsA:
2.2		 6exiB-5fmsA:
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.
5gqt NITRILE-SPECIFIER
PROTEIN 1

(Arabidopsis
thaliana) 		PF01344
(Kelch_1)
PF01419
(Jacalin)
PF13415
(Kelch_3) 		5 GLY A 323
GLY A 336
VAL A 345
ASP A 344
ILE A 380
 None
 1.14A 6exiB-5gqtA:
undetectable		 6exiB-5gqtA:
10.13
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.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 GLY A  14
GLY A  20
THR A  13
ASN A  88
ILE A  63
 None
SO4  A 302 (-3.8A)
None
None
None
 1.15A 6exiB-5itwA:
7.9		 6exiB-5itwA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k66 NTA1P

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 GLY A 442
GLY A 440
ASP A 289
ASN A 224
ILE A 400
 None
 1.20A 6exiB-5k66A:
undetectable		 6exiB-5k66A:
12.07
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.
5kym 1-ACYL-SN-GLYCEROL-3
-PHOSPHATE
ACYLTRANSFERASE

(Thermotoga
maritima) 		PF01553
(Acyltransferase) 		5 GLY A 205
VAL A  64
ASP A  63
THR A 191
ILE A 188
 None
 1.14A 6exiB-5kymA:
undetectable		 6exiB-5kymA:
14.63
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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		5 GLY A  13
VAL A  84
ASP A  83
THR A 114
ILE A 112
 FAD  A1001 (-3.1A)
FAD  A1001 (-3.7A)
None
FAD  A1001 (-3.9A)
None
 1.12A 6exiB-5m5jA:
3.2		 6exiB-5m5jA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 GLY A 528
GLY A 530
SER A 557
GLU A 558
ASP A 562
 None
CA  A9016 ( 4.6A)
None
CA  A9016 (-2.1A)
CA  A9004 ( 2.2A)
 1.15A 6exiB-5n8pA:
2.6		 6exiB-5n8pA:
5.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 GLY A 528
GLY A 530
SER A 557
GLU A 558
ASP A 562
 None
CA  A9016 ( 4.6A)
None
CA  A9016 (-2.1A)
CA  A9004 ( 2.2A)
 1.15A 6exiB-5n97A:
2.6		 6exiB-5n97A:
7.09
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.
5t57 SEMIALDEHYDE
DEHYDROGENASE
NAD-BINDING PROTEIN

(Cupriavidus
necator) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A   9
GLY A  12
GLU A  33
VAL A  34
ILE A  75
 NAD  A 301 (-3.4A)
NAD  A 301 (-3.2A)
NAD  A 301 (-2.7A)
NAD  A 301 (-4.4A)
NAD  A 301 (-4.2A)
 0.68A 6exiB-5t57A:
3.6		 6exiB-5t57A:
14.64
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.
5tem 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Vibrio
vulnificus) 		no annotation 5 GLY C   8
GLY C  11
SER C  33
GLU C  34
THR C  76
 NAD  C1001 (-3.4A)
NAD  C1001 (-3.3A)
NAD  C1001 (-3.4A)
NAD  C1001 (-2.9A)
NAD  C1001 (-3.8A)
 0.53A 6exiB-5temC:
8.0		 6exiB-5temC:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 203
GLY A 205
GLU A 226
VAL A 227
ASP A 228
 None
 0.32A 6exiB-5tovA:
12.1		 6exiB-5tovA:
13.37
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.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 275
GLY A 277
GLU A 298
ASP A 300
CYH A 303
THR A 331
ASN A 333
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.3A)
NAD  A 501 (-2.7A)
None
NAD  A 501 (-3.5A)
NAD  A 501 (-4.1A)
NAD  A 501 (-3.7A)
 0.30A 6exiB-5utuA:
52.7		 6exiB-5utuA:
9.38
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.
5v36 GLUTATHIONE
REDUCTASE

(Streptococcus
mutans) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  11
GLY A  13
GLU A  34
THR A 139
ASN A 266
 FAD  A 501 (-3.2A)
FAD  A 501 (-3.3A)
FAD  A 501 (-2.7A)
FAD  A 501 (-4.0A)
None
 0.93A 6exiB-5v36A:
2.7		 6exiB-5v36A:
12.06
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 GLY A 261
GLY A 263
GLU A 284
ASP A 286
THR A 317
ASN A 319
ILE A 322
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.1A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-4.1A)
NAD  A 501 (-3.9A)
NAD  A 501 (-4.8A)
 0.17A 6exiB-5v96A:
56.7		 6exiB-5v96A:
13.09
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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 220
GLY A 222
GLU A 243
ASP A 245
THR A 276
ILE A 281
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.3A)
NAD  A 501 (-2.8A)
None
NAD  A 501 (-3.8A)
NAD  A 501 (-4.8A)
 0.18A 6exiB-5w4bA:
47.5		 6exiB-5w4bA:
12.89
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 5 GLY C 107
GLU C 103
VAL C 111
ASP C 110
ILE C  70
 None
 1.23A 6exiB-5wqlC:
2.2		 6exiB-5wqlC:
8.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1y MERCURIC REDUCTASE

(Lysinibacillus
sphaericus) 		no annotation 5 GLY B  91
GLY B  93
GLU B 114
THR B 219
ASN B 350
 FAD  B 601 (-3.3A)
FAD  B 601 (-3.2A)
FAD  B 601 (-2.6A)
FAD  B 601 (-3.9A)
FAD  B 601 ( 4.1A)
 1.00A 6exiB-5x1yB:
2.6		 6exiB-5x1yB:
10.62
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 5 GLY A 291
GLY A 337
ASP A 334
THR A 308
ASN A 305
 None
None
MG  A 702 (-3.5A)
None
None
 1.21A 6exiB-5xm3A:
undetectable		 6exiB-5xm3A:
17.58
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 5 GLY A  13
GLY A  17
SER A  35
VAL A 175
CYH A  10
 FAD  A 701 (-3.5A)
None
FAD  A 701 (-3.3A)
None
None
 0.82A 6exiB-5xmjA:
undetectable		 6exiB-5xmjA:
23.17
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 370
GLY A 106
SER A 371
THR A 108
ASN A 378
 None
 1.09A 6exiB-5z9sA:
2.6		 6exiB-5z9sA:
25.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 GLY A 225
GLY A 227
GLU A 248
ASP A 250
CYH A 253
THR A 281
ASN A 283
ILE A 286
 NAD  A 500 (-3.6A)
NAD  A 500 (-3.2A)
NAD  A 500 (-2.9A)
None
NAD  A 500 (-3.6A)
NAD  A 500 (-4.0A)
NAD  A 500 (-4.0A)
NAD  A 500 (-4.8A)
 0.17A 6exiB-6aphA:
29.7		 6exiB-6aphA:
69.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b4o GLUTATHIONE
REDUCTASE

(Enterococcus
faecalis) 		no annotation 5 GLY A  10
GLY A  12
GLU A  33
THR A 138
ASN A 265
 FAD  A 501 (-3.3A)
FAD  A 501 (-3.3A)
FAD  A 501 (-2.6A)
FAD  A 501 (-3.9A)
FAD  A 501 ( 4.8A)
 0.85A 6exiB-6b4oA:
3.6		 6exiB-6b4oA:
13.04
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 110
GLU A 133
VAL A 134
ASP A 135
CYH A 138
 SAH  A 305 (-3.1A)
SAH  A 305 (-2.7A)
SAH  A 305 (-4.1A)
None
SAH  A 305 (-3.6A)
 0.37A 6exiB-6b92A:
7.3		 6exiB-6b92A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 110
GLY A 112
VAL A 134
ASP A 135
CYH A 138
 SAH  A 305 (-3.1A)
SAH  A 305 (-3.4A)
SAH  A 305 (-4.1A)
None
SAH  A 305 (-3.6A)
 1.11A 6exiB-6b92A:
7.3		 6exiB-6b92A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 GLY A  13
GLY A  41
GLU A  35
ASP A  37
ILE A  11
 FAD  A 502 ( 4.8A)
FAD  A 502 (-3.2A)
FAD  A 502 (-2.5A)
None
FAD  A 502 ( 4.9A)
 1.03A 6exiB-6cmzA:
3.2		 6exiB-6cmzA:
24.14
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.
6f3m -

(-) 		no annotation 8 GLY B 228
GLY B 230
GLU B 251
VAL B 252
ASP B 253
CYH B 256
THR B 298
ASN B 300
 NAD  B 501 (-3.6A)
NAD  B 501 (-3.3A)
NAD  B 501 (-2.9A)
NAD  B 501 (-4.2A)
None
NAD  B 501 (-3.5A)
NAD  B 501 (-4.1A)
NAD  B 501 (-4.0A)
 0.24A 6exiB-6f3mB:
51.2		 6exiB-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 8 GLY A 223
GLY A 225
GLU A 246
ASP A 248
CYH A 251
THR A 279
ASN A 281
ILE A 284
 NAD  A 502 ( 3.7A)
NAD  A 502 (-3.3A)
NAD  A 502 (-2.8A)
None
NAD  A 502 (-3.6A)
NAD  A 502 (-4.1A)
NAD  A 502 (-3.9A)
NAD  A 502 (-4.6A)
 0.14A 6exiB-6gbnA:
31.6		 6exiB-6gbnA:
undetectable