SIMILAR PATTERNS OF AMINO ACIDS FOR 3WG7_W_CHDW101

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.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		4 ILE A 350
MET A 311
THR A 312
LEU A 315
 None
 0.82A 3wg7N-1floA:
0.2
3wg7W-1floA:
0.0		 3wg7N-1floA:
21.78
3wg7W-1floA:
9.80
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.
1igy IGG1 INTACT ANTIBODY
MAB61.1.3

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE B  80
ARG B  62
THR B  83
LEU B  82
 None
 1.02A 3wg7N-1igyB:
undetectable
3wg7W-1igyB:
0.0		 3wg7N-1igyB:
20.39
3wg7W-1igyB:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jhh LEXA REPRESSOR

(Escherichia
coli) 		PF00717
(Peptidase_S24)
PF01726
(LexA_DNA_bind) 		4 ILE A  15
ARG A   7
THR A   5
LEU A   4
 None
 0.94A 3wg7N-1jhhA:
undetectable
3wg7W-1jhhA:
undetectable		 3wg7N-1jhhA:
16.33
3wg7W-1jhhA:
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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		4 TYR A 305
ARG A 306
MET A 309
LEU A 313
 None
 0.86A 3wg7N-1khcA:
undetectable
3wg7W-1khcA:
0.0		 3wg7N-1khcA:
13.81
3wg7W-1khcA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 ILE A 332
MET A 293
THR A 292
LEU A 235
 None
 0.83A 3wg7N-1kt8A:
0.0
3wg7W-1kt8A:
0.0		 3wg7N-1kt8A:
22.71
3wg7W-1kt8A:
12.03
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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		4 ILE A  65
TYR A 148
THR A 166
LEU A 169
 None
 1.04A 3wg7N-1or4A:
0.0
3wg7W-1or4A:
0.0		 3wg7N-1or4A:
14.76
3wg7W-1or4A:
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ILE A 666
MET A 736
THR A 734
LEU A 733
 None
 0.95A 3wg7N-1qf7A:
0.0
3wg7W-1qf7A:
0.0		 3wg7N-1qf7A:
21.37
3wg7W-1qf7A:
6.27
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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.84A 3wg7N-1vqtA:
0.0
3wg7W-1vqtA:
0.0		 3wg7N-1vqtA:
17.18
3wg7W-1vqtA:
16.29
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.
1zdv OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF13954
(PapC_N) 		4 ILE A 115
ARG A  66
THR A  65
LEU A  64
 None
 1.02A 3wg7N-1zdvA:
undetectable
3wg7W-1zdvA:
undetectable		 3wg7N-1zdvA:
12.22
3wg7W-1zdvA:
16.67
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ILE A 384
ARG A 433
THR A 411
LEU A 410
 None
 0.95A 3wg7N-2bucA:
0.0
3wg7W-2bucA:
undetectable		 3wg7N-2bucA:
19.97
3wg7W-2bucA:
7.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.97A 3wg7N-2bwgA:
0.0
3wg7W-2bwgA:
undetectable		 3wg7N-2bwgA:
21.02
3wg7W-2bwgA:
10.16
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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 TYR A 295
ARG A 296
MET A 299
THR A 300
 None
 1.04A 3wg7N-2c9kA:
2.1
3wg7W-2c9kA:
undetectable		 3wg7N-2c9kA:
21.01
3wg7W-2c9kA:
7.50
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		4 ILE A  36
ARG A  17
THR A 198
LEU A 202
 None
 0.92A 3wg7N-2d5wA:
0.0
3wg7W-2d5wA:
undetectable		 3wg7N-2d5wA:
20.31
3wg7W-2d5wA:
7.26
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.
2elh CG11849-PA

(Drosophila
melanogaster) 		PF04218
(CENP-B_N) 		4 ILE A  48
ARG A  26
THR A  24
LEU A  23
 None
 1.06A 3wg7N-2elhA:
undetectable
3wg7W-2elhA:
undetectable		 3wg7N-2elhA:
8.75
3wg7W-2elhA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2idc ANTI-SILENCING
PROTEIN 1 AND
HISTONE H3 CHIMERA

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE A   9
ARG A 108
THR A  43
LEU A  42
 None
 0.97A 3wg7N-2idcA:
undetectable
3wg7W-2idcA:
undetectable		 3wg7N-2idcA:
13.97
3wg7W-2idcA:
19.57
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		4 ILE A 543
ARG A 537
THR A 535
LEU A 534
 None
 1.02A 3wg7N-2o2cA:
undetectable
3wg7W-2o2cA:
undetectable		 3wg7N-2o2cA:
20.47
3wg7W-2o2cA:
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE X 252
MET X 356
THR X 357
LEU X 360
 None
 0.86A 3wg7N-2p3gX:
undetectable
3wg7W-2p3gX:
undetectable		 3wg7N-2p3gX:
19.81
3wg7W-2p3gX:
13.79
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.
2whk MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus
subtilis) 		PF02156
(Glyco_hydro_26) 		4 ILE A 102
MET A 202
THR A 203
LEU A 208
 None
 0.93A 3wg7N-2whkA:
undetectable
3wg7W-2whkA:
undetectable		 3wg7N-2whkA:
21.47
3wg7W-2whkA:
11.01
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.
2xyk 2-ON-2 HEMOGLOBIN

(Agrobacterium
tumefaciens) 		PF01152
(Bac_globin) 		4 ILE A 105
ARG A  19
THR A  58
LEU A  61
 None
 1.04A 3wg7N-2xykA:
2.4
3wg7W-2xykA:
undetectable		 3wg7N-2xykA:
12.57
3wg7W-2xykA:
15.87
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.
2y69 CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1

(Bos taurus) 		PF02238
(COX7a) 		5 TYR J  32
ARG J  33
MET J  36
THR J  37
LEU J  40
 None
 0.72A 3wg7N-2y69J:
undetectable
3wg7W-2y69J:
7.9		 3wg7N-2y69J:
10.31
3wg7W-2y69J:
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.
2z8h TRANSCRIPTION
REGULATOR PROTEIN
BACH1

(Mus musculus) 		PF00651
(BTB) 		4 ILE A  88
ARG A  44
THR A  74
LEU A  75
 None
 0.96A 3wg7N-2z8hA:
undetectable
3wg7W-2z8hA:
undetectable		 3wg7N-2z8hA:
13.03
3wg7W-2z8hA:
16.92
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.83A 3wg7N-2ziuA:
undetectable
3wg7W-2ziuA:
undetectable		 3wg7N-2ziuA:
18.55
3wg7W-2ziuA:
10.29
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.
2zsg AMINOPEPTIDASE P,
PUTATIVE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A 230
MET A 177
THR A 176
LEU A 173
 None
 0.95A 3wg7N-2zsgA:
2.9
3wg7W-2zsgA:
undetectable		 3wg7N-2zsgA:
20.79
3wg7W-2zsgA:
10.49
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ILE A  59
ARG A 126
THR A 105
LEU A 106
 None
 0.99A 3wg7N-3a24A:
undetectable
3wg7W-3a24A:
undetectable		 3wg7N-3a24A:
22.34
3wg7W-3a24A:
7.64
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.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		4 ILE A   3
MET A  63
THR A  62
LEU A  59
 None
 1.04A 3wg7N-3alyA:
undetectable
3wg7W-3alyA:
undetectable		 3wg7N-3alyA:
13.55
3wg7W-3alyA:
18.12
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.
3b4u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		4 ILE A  66
ARG A 100
THR A  42
LEU A  43
 None
 0.78A 3wg7N-3b4uA:
undetectable
3wg7W-3b4uA:
undetectable		 3wg7N-3b4uA:
20.99
3wg7W-3b4uA:
13.36
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A 312
TYR A 261
THR A 289
LEU A 346
 None
 0.92A 3wg7N-3bn1A:
undetectable
3wg7W-3bn1A:
undetectable		 3wg7N-3bn1A:
21.12
3wg7W-3bn1A:
11.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 462
ARG A 397
THR A 395
LEU A 410
 None
 0.88A 3wg7N-3dy5A:
undetectable
3wg7W-3dy5A:
undetectable		 3wg7N-3dy5A:
17.95
3wg7W-3dy5A:
4.87
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.
3ehe UDP-GLUCOSE
4-EPIMERASE (GALE-1)

(Archaeoglobus
fulgidus) 		PF01370
(Epimerase) 		4 ILE A 205
ARG A 164
THR A 126
LEU A 271
 None
 0.86A 3wg7N-3eheA:
undetectable
3wg7W-3eheA:
undetectable		 3wg7N-3eheA:
17.73
3wg7W-3eheA:
10.60
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 462
ARG A 397
THR A 395
LEU A 410
 None
 0.94A 3wg7N-3fg4A:
undetectable
3wg7W-3fg4A:
undetectable		 3wg7N-3fg4A:
20.56
3wg7W-3fg4A:
8.30
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.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		4 ILE A 200
MET A 158
THR A 159
LEU A 160
 None
 0.92A 3wg7N-3fssA:
undetectable
3wg7W-3fssA:
undetectable		 3wg7N-3fssA:
19.04
3wg7W-3fssA:
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 ILE A 131
MET A 159
THR A 160
LEU A 163
 None
 0.93A 3wg7N-3gjuA:
undetectable
3wg7W-3gjuA:
undetectable		 3wg7N-3gjuA:
22.26
3wg7W-3gjuA:
9.55
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.
3hjc HEAT SHOCK PROTEIN
83-1

(Leishmania
major) 		PF00183
(HSP90) 		4 ILE A 157
TYR A 146
THR A 184
LEU A 185
 None
 0.98A 3wg7N-3hjcA:
undetectable
3wg7W-3hjcA:
undetectable		 3wg7N-3hjcA:
18.41
3wg7W-3hjcA:
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.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 ILE A 105
ARG A  36
THR A  34
LEU A  33
 None
 0.85A 3wg7N-3hn5A:
undetectable
3wg7W-3hn5A:
undetectable		 3wg7N-3hn5A:
17.12
3wg7W-3hn5A:
14.42
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2) 		4 ILE B 544
ARG B 509
MET B 490
LEU B 488
 None
 1.04A 3wg7N-3jb9B:
undetectable
3wg7W-3jb9B:
undetectable		 3wg7N-3jb9B:
17.37
3wg7W-3jb9B:
5.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 ILE X 989
MET X 745
THR X 744
LEU X 743
 None
 0.98A 3wg7N-3jb9X:
undetectable
3wg7W-3jb9X:
undetectable		 3wg7N-3jb9X:
16.83
3wg7W-3jb9X:
4.26
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		4 ARG A 407
MET A 410
THR A 411
LEU A 414
 None
 0.59A 3wg7N-3k13A:
undetectable
3wg7W-3k13A:
undetectable		 3wg7N-3k13A:
20.20
3wg7W-3k13A:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		4 ILE A 101
MET A 128
THR A 157
LEU A 156
 None
None
GOL  A 306 (-4.7A)
None
 0.94A 3wg7N-3kl7A:
undetectable
3wg7W-3kl7A:
undetectable		 3wg7N-3kl7A:
16.47
3wg7W-3kl7A:
12.50
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.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		4 ILE B   7
MET B 128
THR B 127
LEU B 124
 None
 0.90A 3wg7N-3kyjB:
undetectable
3wg7W-3kyjB:
undetectable		 3wg7N-3kyjB:
15.09
3wg7W-3kyjB:
18.46
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.
3lax PHENYLACETATE-COENZY
ME A LIGASE

(Bacteroides
vulgatus) 		PF14535
(AMP-binding_C_2) 		4 ILE A 358
ARG A 406
THR A 394
LEU A 397
 None
 1.01A 3wg7N-3laxA:
undetectable
3wg7W-3laxA:
undetectable		 3wg7N-3laxA:
11.47
3wg7W-3laxA:
19.15
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.
3lh4 SECRETED CYSTATIN

(Ixodes
scapularis) 		PF00031
(Cystatin) 		4 ILE A 106
ARG A  60
THR A  62
LEU A  63
 None
SO4  A 115 (-3.0A)
None
None
 1.02A 3wg7N-3lh4A:
undetectable
3wg7W-3lh4A:
undetectable		 3wg7N-3lh4A:
9.64
3wg7W-3lh4A:
16.38
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.
3mop MYELOID
DIFFERENTIATION
PRIMARY RESPONSE
PROTEIN MYD88

(Homo sapiens) 		PF00531
(Death) 		4 ILE A 109
ARG A  88
MET A  19
LEU A  20
 None
 1.01A 3wg7N-3mopA:
undetectable
3wg7W-3mopA:
undetectable		 3wg7N-3mopA:
14.04
3wg7W-3mopA:
22.58
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 ILE A 283
ARG A 298
THR A 296
LEU A 295
 None
 0.86A 3wg7N-3muuA:
undetectable
3wg7W-3muuA:
undetectable		 3wg7N-3muuA:
21.45
3wg7W-3muuA:
6.16
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.
3n5n A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 ILE X 209
ARG X 102
THR X 144
LEU X 145
 None
 0.95A 3wg7N-3n5nX:
undetectable
3wg7W-3n5nX:
undetectable		 3wg7N-3n5nX:
18.74
3wg7W-3n5nX:
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.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 239
TYR A 175
ARG A 174
LEU A 167
 None
None
None
NAD  A 701 (-4.3A)
 0.92A 3wg7N-3om9A:
undetectable
3wg7W-3om9A:
undetectable		 3wg7N-3om9A:
20.12
3wg7W-3om9A:
11.11
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.
3r3e UNCHARACTERIZED
PROTEIN YQJG

(Escherichia
coli) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ILE A 283
ARG A 241
THR A 236
LEU A 235
 None
SO4  A 330 (-3.5A)
None
None
 1.06A 3wg7N-3r3eA:
undetectable
3wg7W-3r3eA:
undetectable		 3wg7N-3r3eA:
21.14
3wg7W-3r3eA:
10.88
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.
3se7 VANA

(-) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 TYR A 315
MET A 319
THR A 320
LEU A 324
 None
 0.93A 3wg7N-3se7A:
undetectable
3wg7W-3se7A:
undetectable		 3wg7N-3se7A:
21.97
3wg7W-3se7A:
10.15
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A 231
MET A 335
THR A 336
LEU A 339
 None
 1.05A 3wg7N-3sheA:
2.2
3wg7W-3sheA:
undetectable		 3wg7N-3sheA:
19.73
3wg7W-3sheA:
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.
3u15 PROTEIN MDM4

(Homo sapiens) 		PF02201
(SWIB) 		4 ILE A  36
ARG A  87
MET A 101
LEU A 102
 None
 0.95A 3wg7N-3u15A:
undetectable
3wg7W-3u15A:
undetectable		 3wg7N-3u15A:
11.22
3wg7W-3u15A:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w0f ENDONUCLEASE 8-LIKE
3

(Mus musculus) 		PF06831
(H2TH) 		4 ILE A 105
TYR A  74
MET A  86
LEU A  84
 IOD  A 305 ( 4.3A)
None
None
None
 1.02A 3wg7N-3w0fA:
undetectable
3wg7W-3w0fA:
undetectable		 3wg7N-3w0fA:
20.08
3wg7W-3w0fA:
12.46
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		4 ILE A 192
ARG A 125
THR A 129
LEU A 132
 None
 0.93A 3wg7N-3we7A:
undetectable
3wg7W-3we7A:
undetectable		 3wg7N-3we7A:
18.46
3wg7W-3we7A:
14.11
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 ILE A 565
ARG A 539
THR A 546
LEU A  27
 None
 1.05A 3wg7N-3zqjA:
undetectable
3wg7W-3zqjA:
undetectable		 3wg7N-3zqjA:
18.59
3wg7W-3zqjA:
4.95
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 ILE A 438
MET A 390
THR A 391
LEU A 394
 None
 0.98A 3wg7N-4a2qA:
2.4
3wg7W-4a2qA:
undetectable		 3wg7N-4a2qA:
18.94
3wg7W-4a2qA:
5.46
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.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		4 ILE A 193
TYR A 277
THR A 203
LEU A 202
 None
 0.95A 3wg7N-4b4oA:
undetectable
3wg7W-4b4oA:
undetectable		 3wg7N-4b4oA:
22.69
3wg7W-4b4oA:
9.90
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.
4c0a IQ MOTIF AND SEC7
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01369
(Sec7)
PF16453
(IQ_SEC7_PH) 		4 ILE A 718
ARG A 728
THR A 732
LEU A 735
 None
 1.05A 3wg7N-4c0aA:
undetectable
3wg7W-4c0aA:
undetectable		 3wg7N-4c0aA:
21.28
3wg7W-4c0aA:
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 ILE A 440
ARG A 464
THR A 506
LEU A 507
 None
 1.04A 3wg7N-4fddA:
3.2
3wg7W-4fddA:
undetectable		 3wg7N-4fddA:
20.07
3wg7W-4fddA:
6.47
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.
4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Mycobacterium
tuberculosis) 		PF01648
(ACPS) 		4 ILE A  61
ARG A  81
THR A  98
LEU A  97
 None
 1.02A 3wg7N-4hc6A:
undetectable
3wg7W-4hc6A:
undetectable		 3wg7N-4hc6A:
14.37
3wg7W-4hc6A:
15.15
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.
4hk1 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Drosophila
melanogaster) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A  11
ARG A  53
THR A  51
LEU A  50
 None
 0.85A 3wg7N-4hk1A:
undetectable
3wg7W-4hk1A:
undetectable		 3wg7N-4hk1A:
19.03
3wg7W-4hk1A:
12.36
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.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ILE A 225
MET A 231
THR A 232
LEU A 234
 None
 1.02A 3wg7N-4hq1A:
undetectable
3wg7W-4hq1A:
undetectable		 3wg7N-4hq1A:
22.32
3wg7W-4hq1A:
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.
4i96 RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		4 ILE A 282
ARG A 221
THR A 391
LEU A 390
 None
 1.06A 3wg7N-4i96A:
2.4
3wg7W-4i96A:
undetectable		 3wg7N-4i96A:
19.34
3wg7W-4i96A:
11.57
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.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 TYR A 296
MET A 301
THR A 302
LEU A 305
 None
 1.00A 3wg7N-4k3bA:
undetectable
3wg7W-4k3bA:
undetectable		 3wg7N-4k3bA:
19.36
3wg7W-4k3bA:
5.95
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		4 ILE A   3
ARG A  90
THR A  93
LEU A  95
 None
 1.04A 3wg7N-4kemA:
undetectable
3wg7W-4kemA:
undetectable		 3wg7N-4kemA:
21.75
3wg7W-4kemA:
9.57
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ARG A 143
MET A 190
THR A 189
LEU A 188
 None
 0.88A 3wg7N-4kxbA:
undetectable
3wg7W-4kxbA:
undetectable		 3wg7N-4kxbA:
20.00
3wg7W-4kxbA:
5.38
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		4 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.85A 3wg7N-4n2xA:
undetectable
3wg7W-4n2xA:
undetectable		 3wg7N-4n2xA:
20.46
3wg7W-4n2xA:
11.99
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ILE A 144
MET A 179
THR A 180
LEU A 183
 None
 0.84A 3wg7N-4oqfA:
undetectable
3wg7W-4oqfA:
undetectable		 3wg7N-4oqfA:
20.15
3wg7W-4oqfA:
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.
4pdb 30S RIBOSOMAL
PROTEIN S8

(Bacillus
anthracis) 		PF00410
(Ribosomal_S8) 		4 ILE A  69
ARG A  36
THR A  35
LEU A 100
 None
 1.05A 3wg7N-4pdbA:
undetectable
3wg7W-4pdbA:
undetectable		 3wg7N-4pdbA:
14.48
3wg7W-4pdbA:
19.85
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.
4q5y MATERNAL PROTEIN
TUDOR

(Drosophila
melanogaster) 		PF00567
(TUDOR) 		4 ILE A2428
MET A2376
THR A2377
LEU A2380
 None
 1.02A 3wg7N-4q5yA:
undetectable
3wg7W-4q5yA:
undetectable		 3wg7N-4q5yA:
20.42
3wg7W-4q5yA:
9.57
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.
4qrj PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
uniformis) 		PF10282
(Lactonase) 		4 ILE A 206
MET A 138
THR A 130
LEU A 129
 None
 1.03A 3wg7N-4qrjA:
undetectable
3wg7W-4qrjA:
undetectable		 3wg7N-4qrjA:
22.86
3wg7W-4qrjA:
12.50
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 ILE A 338
ARG A 307
MET A  40
THR A  39
 None
GLA  A 503 (-2.8A)
None
GLA  A 502 ( 3.8A)
 0.84A 3wg7N-4rk9A:
undetectable
3wg7W-4rk9A:
undetectable		 3wg7N-4rk9A:
21.64
3wg7W-4rk9A:
7.35
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.
4rrp ANTIGEN ASF1P

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE M   9
ARG M 108
THR M  43
LEU M  42
 None
 0.84A 3wg7N-4rrpM:
undetectable
3wg7W-4rrpM:
undetectable		 3wg7N-4rrpM:
13.87
3wg7W-4rrpM:
18.94
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		4 ILE A 239
MET A 201
THR A 202
LEU A 205
 None
 1.02A 3wg7N-4rweA:
undetectable
3wg7W-4rweA:
undetectable		 3wg7N-4rweA:
20.54
3wg7W-4rweA:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 0.80A 3wg7N-4rwtC:
undetectable
3wg7W-4rwtC:
undetectable		 3wg7N-4rwtC:
19.44
3wg7W-4rwtC:
9.30
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.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 ILE A 181
TYR A 169
MET A 166
LEU A 129
 None
 0.95A 3wg7N-4wzhA:
undetectable
3wg7W-4wzhA:
undetectable		 3wg7N-4wzhA:
21.76
3wg7W-4wzhA:
11.37
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.
4xkq NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		PF00496
(SBP_bac_5) 		4 ILE A 259
MET A 368
THR A 367
LEU A 319
 None
 1.05A 3wg7N-4xkqA:
0.5
3wg7W-4xkqA:
undetectable		 3wg7N-4xkqA:
20.93
3wg7W-4xkqA:
8.64
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 TYR A 166
MET A 170
THR A 171
LEU A 174
 None
 0.40A 3wg7N-4zi6A:
0.4
3wg7W-4zi6A:
undetectable		 3wg7N-4zi6A:
22.57
3wg7W-4zi6A:
9.28
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.
5ezr CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
vivax) 		PF00027
(cNMP_binding)
PF00069
(Pkinase) 		4 ARG A 276
MET A 279
THR A 280
LEU A 283
 None
 1.06A 3wg7N-5ezrA:
3.0
3wg7W-5ezrA:
undetectable		 3wg7N-5ezrA:
20.35
3wg7W-5ezrA:
6.28
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.
5f3y UNCONVENTIONAL
MYOSIN-VIIB

(Mus musculus) 		PF00784
(MyTH4) 		4 ILE A1544
MET A1434
THR A1452
LEU A1453
 None
 0.94A 3wg7N-5f3yA:
1.6
3wg7W-5f3yA:
undetectable		 3wg7N-5f3yA:
20.92
3wg7W-5f3yA:
7.65
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		4 ILE A4801
TYR A4762
MET A4765
THR A4767
 None
 1.03A 3wg7N-5f59A:
undetectable
3wg7W-5f59A:
undetectable		 3wg7N-5f59A:
13.20
3wg7W-5f59A:
14.38
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.
5gk2 KETOSYNTHASE STLD

(Photorhabdus
laumondii) 		PF08541
(ACP_syn_III_C) 		4 ILE A  48
TYR A  53
MET A  24
THR A  23
 None
 0.99A 3wg7N-5gk2A:
undetectable
3wg7W-5gk2A:
undetectable		 3wg7N-5gk2A:
19.85
3wg7W-5gk2A:
8.50
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.
5gnc AVH146

(Phytophthora
sojae) 		no annotation 4 TYR A 232
MET A 228
THR A 227
LEU A 224
 None
 0.94A 3wg7N-5gncA:
undetectable
3wg7W-5gncA:
undetectable		 3wg7N-5gncA:
21.10
3wg7W-5gncA:
7.63
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.
5hj1 PULLULANASE C
PROTEIN

(Klebsiella
pneumoniae) 		no annotation 4 ILE A 199
ARG A 242
THR A 263
LEU A 262
 None
None
None
VCA  A 301 ( 4.6A)
 1.03A 3wg7N-5hj1A:
undetectable
3wg7W-5hj1A:
undetectable		 3wg7N-5hj1A:
11.21
3wg7W-5hj1A:
19.23
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.
5ic8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ARG A 127
MET A 130
THR A 131
LEU A 134
 None
 0.97A 3wg7N-5ic8A:
3.3
3wg7W-5ic8A:
undetectable		 3wg7N-5ic8A:
20.39
3wg7W-5ic8A:
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.
5ixm LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Yersinia pestis) 		PF04390
(LptE) 		4 ILE B  32
ARG B  56
THR B  54
LEU B  17
 None
 1.05A 3wg7N-5ixmB:
undetectable
3wg7W-5ixmB:
undetectable		 3wg7N-5ixmB:
15.20
3wg7W-5ixmB:
13.64
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.
5l3x NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1) 		4 ILE B 579
ARG B 531
THR B 535
LEU B 538
 None
 1.05A 3wg7N-5l3xB:
2.3
3wg7W-5l3xB:
undetectable		 3wg7N-5l3xB:
21.91
3wg7W-5l3xB:
13.27
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.
5nm7 PEPTIDOGLYCAN-BINDIN
G DOMAIN 1

(Burkholderia) 		no annotation 4 TYR G 117
ARG G 119
MET G 122
LEU G 126
 None
 0.79A 3wg7N-5nm7G:
undetectable
3wg7W-5nm7G:
undetectable		 3wg7N-5nm7G:
undetectable
3wg7W-5nm7G:
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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 4 ILE A 195
MET A 435
THR A 436
LEU A 437
 None
 1.02A 3wg7N-5npyA:
undetectable
3wg7W-5npyA:
undetectable		 3wg7N-5npyA:
20.59
3wg7W-5npyA:
6.96
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 4 ILE A 427
MET A 477
THR A 476
LEU A 475
 None
 0.83A 3wg7N-5ny0A:
undetectable
3wg7W-5ny0A:
undetectable		 3wg7N-5ny0A:
undetectable
3wg7W-5ny0A:
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.
5o5j 30S RIBOSOMAL
PROTEIN S8

(Mycolicibacterium
smegmatis) 		PF00410
(Ribosomal_S8) 		4 ILE H  46
ARG H  13
THR H  12
LEU H  77
 None
A  A 805 ( 3.8A)
A  A 858 ( 4.2A)
None
 0.89A 3wg7N-5o5jH:
undetectable
3wg7W-5o5jH:
undetectable		 3wg7N-5o5jH:
12.84
3wg7W-5o5jH:
17.89
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.
5td2 TYROSINE-PROTEIN
KINASE MER

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ILE A 695
MET A 735
THR A 736
LEU A 731
 None
 0.98A 3wg7N-5td2A:
undetectable
3wg7W-5td2A:
undetectable		 3wg7N-5td2A:
20.72
3wg7W-5td2A:
15.20
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.
5tjt MAJOR CAPSID PROTEIN

(Escherichia
virus T5) 		PF05065
(Phage_capsid) 		4 ILE A 347
MET A 288
THR A 289
LEU A 300
 None
 0.99A 3wg7N-5tjtA:
undetectable
3wg7W-5tjtA:
undetectable		 3wg7N-5tjtA:
21.23
3wg7W-5tjtA:
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.
5uv8 INTERLEUKIN-3

(Homo sapiens) 		no annotation 4 ILE B  77
ARG B 108
THR B 112
LEU B 115
 None
 0.99A 3wg7N-5uv8B:
undetectable
3wg7W-5uv8B:
undetectable		 3wg7N-5uv8B:
undetectable
3wg7W-5uv8B:
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		4 ILE A  86
TYR A  77
MET A 295
THR A 294
 None
 0.85A 3wg7N-5xe0A:
undetectable
3wg7W-5xe0A:
undetectable		 3wg7N-5xe0A:
20.98
3wg7W-5xe0A:
8.90
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.
5xfl CATENIN ALPHA-2

(Mus musculus) 		no annotation 4 ILE A 517
ARG A 584
MET A 582
LEU A 577
 None
 1.03A 3wg7N-5xflA:
undetectable
3wg7W-5xflA:
undetectable		 3wg7N-5xflA:
undetectable
3wg7W-5xflA:
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.
5xk8 UNDECAPRENYL
DIPHOSPHATE SYNTHASE

(Streptomyces
sp. CNH189) 		no annotation 4 TYR A  26
MET A  29
THR A  30
LEU A  33
 None
 1.05A 3wg7N-5xk8A:
undetectable
3wg7W-5xk8A:
undetectable		 3wg7N-5xk8A:
undetectable
3wg7W-5xk8A:
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.
5ydp TETR TRANSCRIPTIONAL
REGULATORY PROTEIN

(Dietzia sp.
DQ12-45-1b) 		PF00440
(TetR_N) 		4 ILE A 205
ARG A 181
THR A 153
LEU A 156
 None
 1.04A 3wg7N-5ydpA:
undetectable
3wg7W-5ydpA:
undetectable		 3wg7N-5ydpA:
18.45
3wg7W-5ydpA:
14.69
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.
6blb HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Pseudomonas
aeruginosa) 		no annotation 4 ILE A 284
MET A 273
THR A 272
LEU A 269
 None
 0.99A 3wg7N-6blbA:
undetectable
3wg7W-6blbA:
undetectable		 3wg7N-6blbA:
21.43
3wg7W-6blbA:
9.35
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 ILE A 895
TYR A 489
ARG A 488
THR A 482
 None
 1.02A 3wg7N-6fn1A:
3.1
3wg7W-6fn1A:
undetectable		 3wg7N-6fn1A:
undetectable
3wg7W-6fn1A:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 4 ILE M 411
ARG M 346
MET M 342
LEU M 282
 None
 1.01A 3wg7N-6g2jM:
undetectable
3wg7W-6g2jM:
2.0		 3wg7N-6g2jM:
undetectable
3wg7W-6g2jM:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 4 ILE L 149
MET L 252
THR L 251
LEU L 247
 None
 1.05A 3wg7N-6g2jL:
undetectable
3wg7W-6g2jL:
undetectable		 3wg7N-6g2jL:
undetectable
3wg7W-6g2jL:
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.
6gsa -

(-) 		no annotation 4 ILE D 320
MET D 361
THR D 360
LEU D 359
 None
 0.86A 3wg7N-6gsaD:
undetectable
3wg7W-6gsaD:
undetectable		 3wg7N-6gsaD:
undetectable
3wg7W-6gsaD:
undetectable