SIMILAR PATTERNS OF AMINO ACIDS FOR 3MED_A_65BA561_0

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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		5 LEU A 183
VAL A 172
VAL A 166
TYR A 261
PHE A 226
 None
 1.17A 3medA-1cptA:
undetectable
3medB-1cptA:
0.0		 3medA-1cptA:
22.16
3medB-1cptA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f2p AMINOPEPTIDASE

(Streptomyces
griseus) 		PF04389
(Peptidase_M28) 		5 LEU A 153
VAL A 211
TYR A 156
GLY A 212
LEU A 145
 None
 1.18A 3medA-1f2pA:
0.0
3medB-1f2pA:
0.0		 3medA-1f2pA:
20.43
3medB-1f2pA:
20.22
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.
1fue FLAVODOXIN

(Helicobacter
pylori) 		PF00258
(Flavodoxin_1) 		5 LEU A  60
VAL A  34
GLY A   9
PHE A  67
LEU A  68
 None
 1.15A 3medA-1fueA:
undetectable
3medB-1fueA:
undetectable		 3medA-1fueA:
15.46
3medB-1fueA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 VAL A 410
TYR A 429
GLY A 381
PHE A 202
TYR A 138
 None
 1.32A 3medA-1gjuA:
0.0
3medB-1gjuA:
0.1		 3medA-1gjuA:
22.53
3medB-1gjuA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		5 VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
 None
 0.68A 3medA-1harA:
27.7
3medB-1harA:
10.3		 3medA-1harA:
93.98
3medB-1harA:
93.98
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.
1mjt NITRIC-OXIDE
SYNTHASE HOMOLOG

(Staphylococcus
aureus) 		PF02898
(NO_synthase) 		5 ASN A 272
VAL A 275
VAL A 233
TYR A 226
GLY A 232
 None
 1.35A 3medA-1mjtA:
undetectable
3medB-1mjtA:
undetectable		 3medA-1mjtA:
21.97
3medB-1mjtA:
21.83
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 LEU A 496
ASN A 498
TYR A 493
GLY A 239
LEU A 372
 None
None
None
MAY  A 600 (-3.6A)
MAY  A 600 (-4.6A)
 1.36A 3medA-1mt5A:
0.0
3medB-1mt5A:
0.0		 3medA-1mt5A:
21.78
3medB-1mt5A:
22.37
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.
1of3 BETA-MANNOSIDASE

(Thermotoga
maritima) 		PF09212
(CBM27) 		5 LEU A  54
VAL A 116
GLY A  92
PHE A 132
TYR A 158
 None
 1.32A 3medA-1of3A:
undetectable
3medB-1of3A:
undetectable		 3medA-1of3A:
14.99
3medB-1of3A:
16.22
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.
1of3 BETA-MANNOSIDASE

(Thermotoga
maritima) 		PF09212
(CBM27) 		5 LEU A  54
VAL A 116
GLY A  92
TYR A 158
GLU A  61
 None
 1.17A 3medA-1of3A:
undetectable
3medB-1of3A:
undetectable		 3medA-1of3A:
14.99
3medB-1of3A:
16.22
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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		5 LEU A 228
ASN A 191
VAL A 192
VAL A 189
GLY A 190
 None
 1.28A 3medA-1t47A:
undetectable
3medB-1t47A:
0.0		 3medA-1t47A:
21.11
3medB-1t47A:
20.95
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.
1tvd T CELL RECEPTOR

(Homo sapiens) 		PF07686
(V-set) 		5 VAL A   3
TYR A  36
GLY A 107
PHE A  90
LEU A  33
 None
 1.36A 3medA-1tvdA:
undetectable
3medB-1tvdA:
undetectable		 3medA-1tvdA:
12.15
3medB-1tvdA:
12.77
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G

(Escherichia
coli) 		PF04349
(MdoG) 		5 LEU A 312
VAL A 348
VAL A 337
TYR A 366
LEU A 350
 None
 1.36A 3medA-1txkA:
undetectable
3medB-1txkA:
undetectable		 3medA-1txkA:
22.76
3medB-1txkA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 ASN A 404
VAL A 407
VAL A 402
TYR A 435
GLY A 403
 SAH  A 801 ( 4.9A)
None
None
None
None
 1.23A 3medA-1u2zA:
undetectable
3medB-1u2zA:
undetectable		 3medA-1u2zA:
21.93
3medB-1u2zA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 214
VAL A 164
VAL A 185
GLY A 165
LEU A 218
 None
 1.02A 3medA-1udqA:
undetectable
3medB-1udqA:
undetectable		 3medA-1udqA:
19.61
3medB-1udqA:
18.86
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.
1ulz PYRUVATE CARBOXYLASE
N-TERMINAL DOMAIN

(Aquifex
aeolicus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 213
ASN A 219
TYR A 267
TYR A 268
GLY A 218
 None
 1.36A 3medA-1ulzA:
1.8
3medB-1ulzA:
undetectable		 3medA-1ulzA:
20.00
3medB-1ulzA:
21.27
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 LEU A 420
VAL A  79
TYR A  83
PHE A  55
LEU A 133
 None
 1.18A 3medA-1v5cA:
undetectable
3medB-1v5cA:
undetectable		 3medA-1v5cA:
20.11
3medB-1v5cA:
20.86
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.
1vs1 3-DEOXY-7-PHOSPHOHEP
TULONATE SYNTHASE

(Aeropyrum
pernix) 		PF00793
(DAHP_synth_1) 		5 ASN A 173
VAL A 141
TYR A 167
GLY A 142
LEU A 150
 None
 1.36A 3medA-1vs1A:
undetectable
3medB-1vs1A:
undetectable		 3medA-1vs1A:
18.94
3medB-1vs1A:
21.35
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 134
VAL A 143
VAL A  95
TYR A  81
GLY A  79
 None
 1.33A 3medA-1w78A:
undetectable
3medB-1w78A:
undetectable		 3medA-1w78A:
20.21
3medB-1w78A:
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 143
VAL A  95
TYR A  81
GLY A  79
LEU A 132
 None
 1.30A 3medA-1w78A:
undetectable
3medB-1w78A:
undetectable		 3medA-1w78A:
20.21
3medB-1w78A:
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 ASN A 668
VAL A 673
VAL A 694
PHE A 661
GLU A 647
 None
 1.32A 3medA-1wkbA:
undetectable
3medB-1wkbA:
undetectable		 3medA-1wkbA:
21.35
3medB-1wkbA:
20.31
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 202
VAL A 207
TYR A 244
TYR A 215
GLY A 217
 None
 1.07A 3medA-1xfdA:
undetectable
3medB-1xfdA:
undetectable		 3medA-1xfdA:
22.63
3medB-1xfdA:
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.
1xk5 SNURPORTIN-1

(Homo sapiens) 		no annotation 5 LEU A 115
VAL A 285
VAL A 288
GLY A 287
LEU A 108
 None
 1.24A 3medA-1xk5A:
undetectable
3medB-1xk5A:
undetectable		 3medA-1xk5A:
15.72
3medB-1xk5A:
18.22
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		6 LEU A 573
VAL A 518
TYR A 559
GLY A 496
LEU A 563
GLU A 575
 None
 1.32A 3medA-1yiqA:
undetectable
3medB-1yiqA:
undetectable		 3medA-1yiqA:
21.48
3medB-1yiqA:
21.12
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.
1yob FLAVODOXIN 2

(Azotobacter
vinelandii) 		PF00258
(Flavodoxin_1) 		5 LEU A  62
VAL A  36
GLY A   8
PHE A  77
LEU A  78
 None
 1.18A 3medA-1yobA:
undetectable
3medB-1yobA:
undetectable		 3medA-1yobA:
17.80
3medB-1yobA:
20.40
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.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II

(Deinococcus
radiodurans) 		PF00579
(tRNA-synt_1b) 		5 LEU A  40
VAL A  48
TYR A  87
GLY A  91
LEU A 226
 None
 1.33A 3medA-2a4mA:
undetectable
3medB-2a4mA:
undetectable		 3medA-2a4mA:
18.96
3medB-2a4mA:
20.52
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 VAL A 324
VAL A  15
GLY A 325
LEU A 333
GLU A  40
 None
 1.24A 3medA-2b5mA:
undetectable
3medB-2b5mA:
undetectable		 3medA-2b5mA:
19.11
3medB-2b5mA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 LEU A 535
VAL A 688
TYR A 685
GLY A 690
LEU A 733
 None
 1.29A 3medA-2c4mA:
undetectable
3medB-2c4mA:
undetectable		 3medA-2c4mA:
21.18
3medB-2c4mA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Homo sapiens) 		PF01869
(BcrAD_BadFG) 		5 LEU A  71
VAL A  46
PHE A  95
LEU A  98
TYR A 102
 None
 1.35A 3medA-2ch6A:
4.4
3medB-2ch6A:
3.6		 3medA-2ch6A:
20.63
3medB-2ch6A:
21.63
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		5 LEU A  13
TYR A 331
TYR A 327
TRP A 326
LEU A  68
 None
 1.34A 3medA-2cxnA:
undetectable
3medB-2cxnA:
undetectable		 3medA-2cxnA:
20.77
3medB-2cxnA:
22.28
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.
2ebn ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1

(Elizabethkingia
meningoseptica) 		PF00704
(Glyco_hydro_18) 		5 LEU A 273
GLY A 244
PHE A  13
LEU A  12
TYR A 274
 None
 0.88A 3medA-2ebnA:
undetectable
3medB-2ebnA:
undetectable		 3medA-2ebnA:
21.09
3medB-2ebnA:
22.37
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A  89
ASN A 263
GLY A 257
LEU A 270
GLU A 222
 None
None
None
None
GOL  A2010 ( 3.9A)
 1.24A 3medA-2elcA:
undetectable
3medB-2elcA:
undetectable		 3medA-2elcA:
21.16
3medB-2elcA:
22.95
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.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A  19
ASN A 108
VAL A 107
VAL A  60
GLY A 109
 None
 1.30A 3medA-2fw2A:
undetectable
3medB-2fw2A:
undetectable		 3medA-2fw2A:
19.29
3medB-2fw2A:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
VAL A 106
TYR A 188
GLY A 190
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.66A 3medA-2hnzA:
38.1
3medB-2hnzA:
14.4		 3medA-2hnzA:
99.07
3medB-2hnzA:
98.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.50A 3medA-2hnzA:
38.1
3medB-2hnzA:
14.4		 3medA-2hnzA:
99.07
3medB-2hnzA:
98.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		6 VAL A 106
VAL A 179
GLY A 190
PHE A 227
LEU A 234
TYR A 318
 PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.7A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.89A 3medA-2hnzA:
38.1
3medB-2hnzA:
14.4		 3medA-2hnzA:
99.07
3medB-2hnzA:
98.86
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.
2p9w MAL S 1 ALLERGENIC
PROTEIN

(Malassezia
sympodialis) 		no annotation 5 LEU A 343
VAL A 272
TYR A 278
GLY A 273
LEU A 301
 None
 1.27A 3medA-2p9wA:
undetectable
3medB-2p9wA:
undetectable		 3medA-2p9wA:
18.36
3medB-2p9wA:
19.60
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.
2qp4 BILE SALT
SULFOTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 LEU A  23
TYR A 160
GLY A  10
PHE A   5
LEU A   6
 None
 1.22A 3medA-2qp4A:
undetectable
3medB-2qp4A:
undetectable		 3medA-2qp4A:
18.99
3medB-2qp4A:
21.49
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.
2vkp BTB/POZ
DOMAIN-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00651
(BTB) 		5 LEU A  66
VAL A  93
TYR A  91
GLY A  33
TYR A  70
 None
 1.18A 3medA-2vkpA:
undetectable
3medB-2vkpA:
undetectable		 3medA-2vkpA:
11.61
3medB-2vkpA:
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.
2wc1 FLAVODOXIN

(Rhodobacter
capsulatus) 		PF00258
(Flavodoxin_1) 		5 LEU A  63
VAL A  37
GLY A   9
PHE A  78
LEU A  79
 None
 1.19A 3medA-2wc1A:
undetectable
3medB-2wc1A:
undetectable		 3medA-2wc1A:
15.65
3medB-2wc1A:
17.19
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASN A 408
VAL A 407
TYR A 165
GLY A 404
LEU A 417
 None
None
FAD  A 601 (-4.0A)
None
None
 1.35A 3medA-2wdwA:
1.1
3medB-2wdwA:
1.2		 3medA-2wdwA:
20.00
3medB-2wdwA:
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		5 LEU A 206
VAL A 189
VAL A 192
GLY A 191
TYR A 210
 None
 1.15A 3medA-3anyA:
0.8
3medB-3anyA:
undetectable		 3medA-3anyA:
21.39
3medB-3anyA:
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 216
VAL A 166
VAL A 187
GLY A 167
LEU A 220
 None
 0.98A 3medA-3b4tA:
undetectable
3medB-3b4tA:
undetectable		 3medA-3b4tA:
18.72
3medB-3b4tA:
19.16
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		5 LEU A  41
ASN A 115
GLY A 114
TRP A  93
LEU A 122
 None
 1.25A 3medA-3c85A:
undetectable
3medB-3c85A:
undetectable		 3medA-3c85A:
16.38
3medB-3c85A:
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.
3co8 ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ASN A  21
VAL A 225
VAL A 245
TYR A  43
GLY A 228
 None
None
None
PLP  A 401 (-4.6A)
None
 1.34A 3medA-3co8A:
undetectable
3medB-3co8A:
undetectable		 3medA-3co8A:
20.57
3medB-3co8A:
21.94
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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		5 ASN A 275
VAL A  49
GLY A 214
LEU A 160
TYR A 279
 None
CL  A 287 ( 4.1A)
None
None
None
 1.29A 3medA-3dclA:
undetectable
3medB-3dclA:
undetectable		 3medA-3dclA:
20.79
3medB-3dclA:
20.80
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.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 0.97A 3medA-3dd6A:
undetectable
3medB-3dd6A:
undetectable		 3medA-3dd6A:
19.82
3medB-3dd6A:
19.09
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.
3dh1 TRNA-SPECIFIC
ADENOSINE DEAMINASE
2

(Homo sapiens) 		PF14437
(MafB19-deam) 		5 VAL A  80
VAL A  54
TYR A  50
GLY A  56
PHE A  95
 None
 1.24A 3medA-3dh1A:
undetectable
3medB-3dh1A:
undetectable		 3medA-3dh1A:
14.85
3medB-3dh1A:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 LEU A 246
ASN A 276
GLY A 274
LEU A 504
GLU A 242
 None
 1.15A 3medA-3hjrA:
undetectable
3medB-3hjrA:
undetectable		 3medA-3hjrA:
21.73
3medB-3hjrA:
20.70
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 VAL A 110
VAL A 156
TYR A 154
TYR A  89
GLU A 150
 None
 1.13A 3medA-3huuA:
undetectable
3medB-3huuA:
2.2		 3medA-3huuA:
20.97
3medB-3huuA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihv SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASN A 159
VAL A 160
GLY A 158
LEU A 162
GLU A 182
 None
 1.35A 3medA-3ihvA:
undetectable
3medB-3ihvA:
undetectable		 3medA-3ihvA:
22.22
3medB-3ihvA:
22.32
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 LEU A 371
VAL A 395
TYR A 355
GLY A 364
TYR A 402
 None
 1.23A 3medA-3ik2A:
2.2
3medB-3ik2A:
2.4		 3medA-3ik2A:
24.19
3medB-3ik2A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jac PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		PF12166
(Piezo_RRas_bdg) 		5 LEU A2342
VAL A2401
TYR A2398
GLY A2400
GLU A2395
 None
 1.37A 3medA-3jacA:
undetectable
3medB-3jacA:
undetectable		 3medA-3jacA:
5.28
3medB-3jacA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 VAL A 298
VAL A 326
GLY A 341
LEU A 364
TYR A 302
 None
 1.35A 3medA-3rhaA:
undetectable
3medB-3rhaA:
undetectable		 3medA-3rhaA:
20.88
3medB-3rhaA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sei CASKIN-1

(Homo sapiens) 		PF00536
(SAM_1) 		5 LEU A  21
ASN A  25
VAL A  49
GLY A  48
LEU A  19
 None
 1.30A 3medA-3seiA:
undetectable
3medB-3seiA:
undetectable		 3medA-3seiA:
14.37
3medB-3seiA:
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.
3sen CASKIN-1

(Homo sapiens) 		PF00536
(SAM_1) 		5 LEU A  24
ASN A  28
VAL A  52
GLY A  51
LEU A  22
 None
 1.30A 3medA-3senA:
undetectable
3medB-3senA:
undetectable		 3medA-3senA:
14.52
3medB-3senA:
17.96
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.
3t58 SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		5 LEU A 311
VAL A 350
GLY A 346
PHE A 416
LEU A 413
 None
 1.26A 3medA-3t58A:
undetectable
3medB-3t58A:
undetectable		 3medA-3t58A:
21.64
3medB-3t58A:
21.15
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.
3w6x MPR1 PROTEIN

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A  61
VAL A  47
TYR A 121
PHE A 138
LEU A 139
 None
None
P6G  A 302 ( 4.6A)
None
None
 1.28A 3medA-3w6xA:
undetectable
3medB-3w6xA:
undetectable		 3medA-3w6xA:
18.16
3medB-3w6xA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 LEU A  29
VAL A 116
GLY A 117
PHE A 112
GLU A  38
 None
 1.26A 3medA-4bm1A:
undetectable
3medB-4bm1A:
undetectable		 3medA-4bm1A:
19.40
3medB-4bm1A:
20.76
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 VAL A 787
GLY A 757
PHE A 766
LEU A 765
TYR A 780
 None
None
None
None
SO4  A1819 (-4.1A)
 1.24A 3medA-4ci8A:
undetectable
3medB-4ci8A:
undetectable		 3medA-4ci8A:
21.86
3medB-4ci8A:
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.
4e9k HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF14717
(DUF4465) 		5 LEU A  31
ASN A 118
VAL A 116
GLY A 115
LEU A  29
 None
 1.33A 3medA-4e9kA:
undetectable
3medB-4e9kA:
undetectable		 3medA-4e9kA:
16.73
3medB-4e9kA:
19.01
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.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		5 LEU A 220
GLY A  47
PHE A 131
LEU A 185
TYR A 237
 None
 1.31A 3medA-4m0vA:
undetectable
3medB-4m0vA:
3.0		 3medA-4m0vA:
21.16
3medB-4m0vA:
21.15
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.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		5 LEU A 165
VAL A 132
GLY A 116
LEU A 195
TYR A 170
 None
 1.36A 3medA-4m5pA:
undetectable
3medB-4m5pA:
undetectable		 3medA-4m5pA:
21.45
3medB-4m5pA:
20.17
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 LEU A  98
VAL A 195
PHE A 257
LEU A 256
GLU A 118
 None
SAH  A1001 ( 4.9A)
None
None
UNX  A1016 ( 2.6A)
 1.16A 3medA-4mtlA:
undetectable
3medB-4mtlA:
undetectable		 3medA-4mtlA:
18.18
3medB-4mtlA:
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 LEU A 261
TYR A 268
PHE A 240
LEU A 241
GLU A 264
 None
 1.27A 3medA-4nmeA:
2.2
3medB-4nmeA:
2.4		 3medA-4nmeA:
19.53
3medB-4nmeA:
17.71
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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		5 LEU A 314
VAL A 234
VAL A 328
TYR A 232
PHE A 368
 None
 1.14A 3medA-4nz0A:
5.8
3medB-4nz0A:
2.8		 3medA-4nz0A:
22.34
3medB-4nz0A:
23.23
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.
4ovj EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Alicyclobacillus
acidocaldarius) 		PF13416
(SBP_bac_8) 		5 LEU A 230
ASN A 224
GLY A 227
TRP A 208
LEU A 222
 None
 1.30A 3medA-4ovjA:
undetectable
3medB-4ovjA:
undetectable		 3medA-4ovjA:
23.24
3medB-4ovjA:
23.78
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		5 LEU A 311
VAL A 350
GLY A 346
PHE A 416
LEU A 413
 None
 1.22A 3medA-4p2lA:
undetectable
3medB-4p2lA:
undetectable		 3medA-4p2lA:
21.78
3medB-4p2lA:
21.62
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.
4rgj CALCIUM-DEPENDENT
PROTEIN KINASE 4

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 VAL A  65
TYR A  96
TYR A  70
GLY A  72
GLU A  95
 None
 1.27A 3medA-4rgjA:
undetectable
3medB-4rgjA:
undetectable		 3medA-4rgjA:
22.52
3medB-4rgjA:
21.30
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.
4ric FANCONI-ASSOCIATED
NUCLEASE 1

(Homo sapiens) 		PF08774
(VRR_NUC) 		5 LEU A 845
VAL A 943
GLY A 942
PHE A 838
LEU A 841
 None
 1.37A 3medA-4ricA:
undetectable
3medB-4ricA:
undetectable		 3medA-4ricA:
22.52
3medB-4ricA:
19.34
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 ASN A 991
VAL A 995
GLY A 992
LEU A 932
GLU A 927
 None
 1.35A 3medA-4uwaA:
undetectable
3medB-4uwaA:
undetectable		 3medA-4uwaA:
8.73
3medB-4uwaA:
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 VAL A 283
VAL A 303
TYR A 295
GLY A 297
LEU A 276
 None
 1.35A 3medA-4wjsA:
undetectable
3medB-4wjsA:
undetectable		 3medA-4wjsA:
22.56
3medB-4wjsA:
21.59
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.
4xky DIHYDRODIPICOLINATE
SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00701
(DHDPS) 		5 LEU A   5
VAL A 208
GLY A 207
PHE A  43
LEU A  77
 None
 1.33A 3medA-4xkyA:
undetectable
3medB-4xkyA:
undetectable		 3medA-4xkyA:
20.04
3medB-4xkyA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		5 LEU A 315
VAL A 324
TYR A 239
TRP A 223
LEU A 220
 None
 1.20A 3medA-4y4vA:
undetectable
3medB-4y4vA:
undetectable		 3medA-4y4vA:
22.22
3medB-4y4vA:
23.87
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.
5a60 INORGANIC
TRIPHOSPHATASE

(Escherichia
coli) 		PF01928
(CYTH) 		5 LEU A 189
VAL A  74
TYR A 238
GLY A  76
GLU A 241
 None
 1.04A 3medA-5a60A:
1.5
3medB-5a60A:
undetectable		 3medA-5a60A:
20.42
3medB-5a60A:
20.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 VAL B 106
VAL B 179
TYR B 181
TYR B 188
GLY B 190
 None
 0.74A 3medA-5c24B:
8.8
3medB-5c24B:
17.7		 3medA-5c24B:
96.46
3medB-5c24B:
96.46
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.
5c5b DCC-INTERACTING
PROTEIN 13-ALPHA
DCC-INTERACTING
PROTEIN 13-BETA

(Homo sapiens;
Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3)
PF00169
(PH)
PF16746
(BAR_3) 		5 LEU A  40
TYR A 203
PHE B  89
LEU B  65
TYR A  36
 None
 1.33A 3medA-5c5bA:
undetectable
3medB-5c5bA:
undetectable		 3medA-5c5bA:
20.11
3medB-5c5bA:
22.32
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.
5d1r RV1816
TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		5 LEU A 116
VAL A 138
VAL A 134
TRP A 105
TYR A 117
 None
 1.35A 3medA-5d1rA:
undetectable
3medB-5d1rA:
undetectable		 3medA-5d1rA:
16.43
3medB-5d1rA:
17.94
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.
5ejs MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00373
(FERM_M)
PF00784
(MyTH4)
PF09380
(FERM_C) 		5 LEU A2269
ASN A2291
PHE A2275
TRP A2287
LEU A2274
 None
 1.31A 3medA-5ejsA:
undetectable
3medB-5ejsA:
undetectable		 3medA-5ejsA:
21.48
3medB-5ejsA:
21.73
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 5 LEU C 329
VAL C 314
GLY C 347
LEU C 394
GLU C 328
 None
 1.33A 3medA-5elpC:
undetectable
3medB-5elpC:
undetectable		 3medA-5elpC:
23.00
3medB-5elpC:
22.15
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 LEU H 154
VAL H  13
VAL H   4
TYR H 124
LEU H 146
 None
 1.14A 3medA-5fg9H:
undetectable
3medB-5fg9H:
undetectable		 3medA-5fg9H:
19.06
3medB-5fg9H:
19.50
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 VAL H  13
VAL H   4
TYR H 124
PHE H   8
LEU H 146
 None
 1.07A 3medA-5fg9H:
undetectable
3medB-5fg9H:
undetectable		 3medA-5fg9H:
19.06
3medB-5fg9H:
19.50
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.
5hl6 PUTATIVE GAF SENSOR
PROTEIN

(Burkholderia
vietnamiensis) 		PF13185
(GAF_2) 		5 LEU A  19
VAL A 134
TYR A  45
LEU A  48
TYR A  16
 None
 1.37A 3medA-5hl6A:
undetectable
3medB-5hl6A:
undetectable		 3medA-5hl6A:
15.21
3medB-5hl6A:
17.22
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.
5jm6 AMINOPEPTIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF02127
(Peptidase_M18) 		5 LEU A 264
VAL A 176
VAL A 195
GLY A 177
TRP A 199
 None
 1.26A 3medA-5jm6A:
undetectable
3medB-5jm6A:
undetectable		 3medA-5jm6A:
22.24
3medB-5jm6A:
22.34
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.
5jtw COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 LEU B 931
VAL B 869
VAL B 872
PHE B 899
LEU B 851
 None
 1.11A 3medA-5jtwB:
undetectable
3medB-5jtwB:
undetectable		 3medA-5jtwB:
22.03
3medB-5jtwB:
18.36
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 435
VAL A 735
GLY A 734
LEU A 760
TYR A 431
 None
 0.96A 3medA-5kufA:
undetectable
3medB-5kufA:
2.4		 3medA-5kufA:
21.15
3medB-5kufA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 TYR A  76
GLY A 169
TRP A 230
TYR A 153
GLU A  75
 None
 1.17A 3medA-5kzhA:
undetectable
3medB-5kzhA:
undetectable		 3medA-5kzhA:
19.61
3medB-5kzhA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 LEU A 381
VAL A 230
TYR A 184
GLY A 229
LEU A 383
 None
 1.34A 3medA-5lh9A:
undetectable
3medB-5lh9A:
undetectable		 3medA-5lh9A:
21.28
3medB-5lh9A:
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.
5lmz FLUORINASE

(Streptomyces
sp. MA37) 		PF01887
(SAM_adeno_trans) 		5 ASN A 219
VAL A 195
VAL A 294
GLY A 204
TYR A 272
 None
 1.10A 3medA-5lmzA:
undetectable
3medB-5lmzA:
undetectable		 3medA-5lmzA:
18.65
3medB-5lmzA:
19.47
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.
5lmz FLUORINASE

(Streptomyces
sp. MA37) 		PF01887
(SAM_adeno_trans) 		5 LEU A 273
ASN A 219
VAL A 195
VAL A 294
GLY A 204
 None
 0.96A 3medA-5lmzA:
undetectable
3medB-5lmzA:
undetectable		 3medA-5lmzA:
18.65
3medB-5lmzA:
19.47
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.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		5 LEU A 320
VAL A 308
VAL A 311
GLY A 309
LEU A 325
 None
 1.35A 3medA-5u7wA:
2.9
3medB-5u7wA:
4.6		 3medA-5u7wA:
22.74
3medB-5u7wA:
22.20
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		5 LEU E  45
VAL E  84
TYR E 121
PHE E   8
LEU E 258
 None
 1.13A 3medA-5u8sE:
undetectable
3medB-5u8sE:
undetectable		 3medA-5u8sE:
20.94
3medB-5u8sE:
20.52
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.
5ukn DH522UCA FAB
FRAGMENT LIGHT CHAIN

(Macaca mulatta) 		no annotation 5 VAL L  97
VAL L  33
TYR L  30
TYR L  91
GLY L  89
 None
 1.36A 3medA-5uknL:
undetectable
3medB-5uknL:
undetectable		 3medA-5uknL:
undetectable
3medB-5uknL:
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.
5w75 ELONGATION FACTOR TU

(Thermotoga
neapolitana) 		no annotation 5 LEU A 157
VAL A 168
TYR A 163
GLY A 165
LEU A 104
 None
 1.04A 3medA-5w75A:
undetectable
3medB-5w75A:
undetectable		 3medA-5w75A:
undetectable
3medB-5w75A:
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.
5xhx HELIX-TURN-HELIX
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 141
VAL A  40
GLY A 144
LEU A  34
TYR A 129
 None
 1.32A 3medA-5xhxA:
undetectable
3medB-5xhxA:
undetectable		 3medA-5xhxA:
16.11
3medB-5xhxA:
18.18
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.
5zmy -

(-) 		no annotation 5 VAL A 285
TYR A 272
PHE A 252
LEU A 251
GLU A  34
 None
None
None
None
ZN  A 400 ( 2.3A)
 1.23A 3medA-5zmyA:
undetectable
3medB-5zmyA:
undetectable		 3medA-5zmyA:
undetectable
3medB-5zmyA:
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.
6b7k ENDO-ALPHA-(1->5)-L-
ARABINANASE

(Bacillus
licheniformis) 		no annotation 5 LEU A 195
VAL A 181
GLY A 151
LEU A 154
TYR A 224
 None
 1.33A 3medA-6b7kA:
undetectable
3medB-6b7kA:
undetectable		 3medA-6b7kA:
undetectable
3medB-6b7kA:
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 5 LEU A 436
ASN A 430
TYR A 363
GLY A 433
GLU A 365
 None
 1.32A 3medA-6b82A:
undetectable
3medB-6b82A:
undetectable		 3medA-6b82A:
undetectable
3medB-6b82A:
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.
6bpz PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,MOUSE
PIEZO1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 5 LEU A2342
VAL A2401
TYR A2398
GLY A2400
GLU A2395
 None
 1.17A 3medA-6bpzA:
undetectable
3medB-6bpzA:
undetectable		 3medA-6bpzA:
undetectable
3medB-6bpzA:
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 VAL I 236
TYR I 234
TYR I 261
GLY I 279
TYR I   9
 None
 1.23A 3medA-6esqI:
undetectable
3medB-6esqI:
undetectable		 3medA-6esqI:
undetectable
3medB-6esqI:
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.
6fwy -

(-) 		no annotation 5 VAL A 260
GLY A  50
PHE A 249
LEU A  68
GLU A  16
 None
 1.35A 3medA-6fwyA:
undetectable
3medB-6fwyA:
undetectable		 3medA-6fwyA:
undetectable
3medB-6fwyA:
undetectable