SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_E_TFPE201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 PHE A   3
GLY A  35
PHE A  36
PHE A 327
 None
 1.12A 3ko0D-1brlA:
undetectable
3ko0E-1brlA:
undetectable		 3ko0D-1brlA:
15.34
3ko0E-1brlA:
15.34
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.
1brl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 PHE A 327
CYH A 324
PHE A   3
PHE A  36
 None
 0.96A 3ko0D-1brlA:
undetectable
3ko0E-1brlA:
undetectable		 3ko0D-1brlA:
15.34
3ko0E-1brlA:
15.34
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.
1cij PROTEIN (HALOALKANE
DEHALOGENASE)

(Xanthobacter
autotrophicus) 		PF00561
(Abhydrolase_1) 		4 PHE A  82
GLY A  55
PHE A 222
PHE A 101
 None
 1.07A 3ko0D-1cijA:
undetectable
3ko0E-1cijA:
0.3		 3ko0D-1cijA:
15.46
3ko0E-1cijA:
15.46
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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		4 GLY A 242
PHE A 415
PHE A 296
PHE A 345
 None
None
CLL  A 801 (-3.7A)
CLL  A 801 ( 4.9A)
 0.90A 3ko0D-1cleA:
1.9
3ko0E-1cleA:
2.0		 3ko0D-1cleA:
10.15
3ko0E-1cleA:
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.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		4 GLY A 242
PHE A 415
PHE A 296
PHE A 345
 None
 0.89A 3ko0D-1crlA:
2.7
3ko0E-1crlA:
2.2		 3ko0D-1crlA:
10.30
3ko0E-1crlA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 PHE A 305
GLY A 320
PHE A 294
PHE A 366
 None
 0.98A 3ko0D-1d0nA:
undetectable
3ko0E-1d0nA:
undetectable		 3ko0D-1d0nA:
11.02
3ko0E-1d0nA:
11.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hrd GLUTAMATE
DEHYDROGENASE

([Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 435
GLY A 434
PHE A 112
PHE A 108
 None
 0.92A 3ko0D-1hrdA:
undetectable
3ko0E-1hrdA:
0.2		 3ko0D-1hrdA:
12.69
3ko0E-1hrdA:
12.69
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.
1iqt HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN D0

(Homo sapiens) 		PF00076
(RRM_1) 		4 PHE A 202
GLY A 203
CYH A 226
PHE A 227
 None
 1.15A 3ko0D-1iqtA:
undetectable
3ko0E-1iqtA:
undetectable		 3ko0D-1iqtA:
18.02
3ko0E-1iqtA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00117
(GATase) 		4 PHE H 130
GLY H 127
PHE H 126
PHE H 138
 None
 1.15A 3ko0D-1ka9H:
undetectable
3ko0E-1ka9H:
undetectable		 3ko0D-1ka9H:
20.11
3ko0E-1ka9H:
20.11
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.
1lpc DIANTHIN 30

(Dianthus
caryophyllus) 		PF00161
(RIP) 		4 PHE A 231
GLY A 234
PHE A 233
PHE A 181
 None
 1.13A 3ko0D-1lpcA:
undetectable
3ko0E-1lpcA:
undetectable		 3ko0D-1lpcA:
19.29
3ko0E-1lpcA:
19.29
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.
1mi5 TCR ALPHA CHAIN
TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 GLY D 107
PHE D 106
PHE E  33
PHE E 108
 None
 1.13A 3ko0D-1mi5D:
undetectable
3ko0E-1mi5D:
undetectable		 3ko0D-1mi5D:
20.62
3ko0E-1mi5D:
20.62
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.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 PHE A 306
GLY A 285
PHE A 267
MET A 148
 None
 1.08A 3ko0D-1qe0A:
1.5
3ko0E-1qe0A:
1.5		 3ko0D-1qe0A:
12.62
3ko0E-1qe0A:
12.62
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.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		4 GLY A 453
PHE A 487
MET A 471
PHE A 542
 None
 1.00A 3ko0D-1qjmA:
undetectable
3ko0E-1qjmA:
0.0		 3ko0D-1qjmA:
10.40
3ko0E-1qjmA:
10.40
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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		4 PHE A 160
GLY A 161
PHE A 162
PHE A  95
 None
 1.11A 3ko0D-1rcwA:
1.2
3ko0E-1rcwA:
undetectable		 3ko0D-1rcwA:
18.30
3ko0E-1rcwA:
18.30
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.
1rgi GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 PHE G 305
GLY G 320
PHE G 294
PHE G 366
 None
 1.07A 3ko0D-1rgiG:
undetectable
3ko0E-1rgiG:
undetectable		 3ko0D-1rgiG:
16.33
3ko0E-1rgiG:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sjj ACTININ

(Gallus gallus) 		PF00307
(CH)
PF00435
(Spectrin)
PF08726
(EFhand_Ca_insen) 		4 GLY A 765
PHE A 756
CYH A 769
PHE A 772
 None
 1.13A 3ko0D-1sjjA:
6.0
3ko0E-1sjjA:
6.2		 3ko0D-1sjjA:
7.06
3ko0E-1sjjA:
7.06
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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		4 PHE A  18
GLY A 209
PHE A 210
PHE A 242
 None
 1.08A 3ko0D-1t47A:
undetectable
3ko0E-1t47A:
0.0		 3ko0D-1t47A:
15.34
3ko0E-1t47A:
15.34
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.
1t84 WISKOTT-ALDRICH
SYNDROME PROTEIN

(Homo sapiens) 		PF00786
(PBD) 		4 GLY A  16
PHE A  17
PHE A  52
PHE A  30
 None
WSK  A 108 (-3.7A)
None
None
 0.89A 3ko0D-1t84A:
undetectable
3ko0E-1t84A:
0.0		 3ko0D-1t84A:
23.01
3ko0E-1t84A:
23.01
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 GLY A 107
PHE A 197
CYH A 128
PHE A 202
 None
 1.08A 3ko0D-1yw6A:
undetectable
3ko0E-1yw6A:
undetectable		 3ko0D-1yw6A:
16.00
3ko0E-1yw6A:
16.00
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.
1zyb TRANSCRIPTION
REGULATOR, CRP
FAMILY

(Bacteroides
thetaiotaomicron) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 GLY A  90
PHE A  89
MET A 130
PHE A 120
 None
 1.11A 3ko0D-1zybA:
undetectable
3ko0E-1zybA:
0.3		 3ko0D-1zybA:
16.67
3ko0E-1zybA:
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.
2aex COPROPORPHYRINOGEN
III OXIDASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01218
(Coprogen_oxidas) 		4 GLY A 212
PHE A 238
PHE A 405
PHE A 408
 None
 1.03A 3ko0D-2aexA:
undetectable
3ko0E-2aexA:
undetectable		 3ko0D-2aexA:
15.53
3ko0E-2aexA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bbv PROTEIN (BLACK
BEETLE VIRUS CAPSID
PROTEIN)

(Black beetle
virus) 		PF01829
(Peptidase_A6) 		4 GLY A 174
PHE A 240
CYH A  69
PHE A  71
 None
 0.83A 3ko0D-2bbvA:
undetectable
3ko0E-2bbvA:
undetectable		 3ko0D-2bbvA:
12.11
3ko0E-2bbvA:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dgk GLUTAMATE
DECARBOXYLASE BETA

(Escherichia
coli) 		PF00282
(Pyridoxal_deC) 		4 GLY A 428
CYH A  64
PHE A  63
PHE A 277
 None
None
PLP  A1500 ( 4.7A)
None
 1.11A 3ko0D-2dgkA:
undetectable
3ko0E-2dgkA:
0.0		 3ko0D-2dgkA:
12.00
3ko0E-2dgkA:
12.00
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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		4 PHE A 319
GLY A 316
PHE A 315
PHE A 209
 None
BHF  A 800 (-3.8A)
None
None
 0.99A 3ko0D-2hi4A:
undetectable
3ko0E-2hi4A:
undetectable		 3ko0D-2hi4A:
12.50
3ko0E-2hi4A:
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.
2ip1 TRYPTOPHANYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		4 PHE A 266
GLY A 267
PHE A 268
PHE A 279
 None
 1.07A 3ko0D-2ip1A:
undetectable
3ko0E-2ip1A:
undetectable		 3ko0D-2ip1A:
12.96
3ko0E-2ip1A:
12.96
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 179
PHE A 180
PHE A 347
PHE A 342
 None
 1.16A 3ko0D-2nqlA:
undetectable
3ko0E-2nqlA:
undetectable		 3ko0D-2nqlA:
13.65
3ko0E-2nqlA:
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		4 PHE A 371
PHE A 341
PHE A 378
PHE A 379
 None
 1.10A 3ko0D-2o5rA:
undetectable
3ko0E-2o5rA:
undetectable		 3ko0D-2o5rA:
12.33
3ko0E-2o5rA:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		4 PHE A 378
PHE A 379
PHE A 371
PHE A 341
 None
 0.98A 3ko0D-2o5rA:
undetectable
3ko0E-2o5rA:
undetectable		 3ko0D-2o5rA:
12.33
3ko0E-2o5rA:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		4 GLY A  88
MET A  98
CYH A  97
PHE A 142
 SAH  A 301 (-3.1A)
None
None
None
 0.85A 3ko0D-2pbfA:
undetectable
3ko0E-2pbfA:
undetectable		 3ko0D-2pbfA:
16.37
3ko0E-2pbfA:
16.37
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.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		4 GLY A  90
MET A  98
CYH A  97
PHE A 142
 SAH  A 301 (-3.4A)
None
None
None
 1.05A 3ko0D-2pbfA:
undetectable
3ko0E-2pbfA:
undetectable		 3ko0D-2pbfA:
16.37
3ko0E-2pbfA:
16.37
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.
2ppg PUTATIVE ISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 180
PHE A 181
PHE A 348
PHE A 343
 None
 1.07A 3ko0D-2ppgA:
undetectable
3ko0E-2ppgA:
undetectable		 3ko0D-2ppgA:
12.56
3ko0E-2ppgA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		4 PHE A 258
GLY A 259
PHE A 260
CYH A 311
 None
 1.11A 3ko0D-2qezA:
undetectable
3ko0E-2qezA:
undetectable		 3ko0D-2qezA:
12.50
3ko0E-2qezA:
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.
2qt5 GLUTAMATE
RECEPTOR-INTERACTING
PROTEIN 1

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 PHE A 162
GLY A 163
PHE A 164
MET A 220
 EDO  A   1 (-4.9A)
None
EDO  A   1 (-4.3A)
EDO  A   1 (-3.6A)
 0.90A 3ko0D-2qt5A:
undetectable
3ko0E-2qt5A:
undetectable		 3ko0D-2qt5A:
19.00
3ko0E-2qt5A:
19.00
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.
2quq CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
B

(Saccharomyces
cerevisiae) 		PF16846
(Cep3) 		4 PHE A 183
CYH A 170
PHE A 167
PHE A 212
 None
 1.12A 3ko0D-2quqA:
undetectable
3ko0E-2quqA:
undetectable		 3ko0D-2quqA:
9.54
3ko0E-2quqA:
9.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		5 PHE X  11
GLY X  12
PHE X 166
PHE X  94
PHE X 115
 None
 1.21A 3ko0D-2uydX:
undetectable
3ko0E-2uydX:
undetectable		 3ko0D-2uydX:
16.13
3ko0E-2uydX:
16.13
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.
2wbv FIBER PROTEIN

(Canine
mastadenovirus
A) 		no annotation 4 GLY A 404
PHE A 528
CYH A 497
PHE A 519
 None
 1.16A 3ko0D-2wbvA:
undetectable
3ko0E-2wbvA:
undetectable		 3ko0D-2wbvA:
18.23
3ko0E-2wbvA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wbv FIBER PROTEIN

(Canine
mastadenovirus
A) 		no annotation 4 PHE A 402
PHE A 528
CYH A 497
PHE A 519
 None
 1.14A 3ko0D-2wbvA:
undetectable
3ko0E-2wbvA:
undetectable		 3ko0D-2wbvA:
18.23
3ko0E-2wbvA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 434
GLY A 433
PHE A 113
PHE A 109
 None
 0.93A 3ko0D-2yfhA:
undetectable
3ko0E-2yfhA:
0.6		 3ko0D-2yfhA:
12.47
3ko0E-2yfhA:
12.47
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.
2yvs GLYCOLATE OXIDASE
SUBUNIT GLCE

(Thermus
thermophilus) 		no annotation 4 PHE A  31
GLY A 155
PHE A  34
PHE A 137
 None
 1.14A 3ko0D-2yvsA:
undetectable
3ko0E-2yvsA:
undetectable		 3ko0D-2yvsA:
16.44
3ko0E-2yvsA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fj7 MAJOR ANTIGENIC
PEPTIDE PEB3

(Campylobacter
jejuni) 		PF13531
(SBP_bac_11) 		4 PHE A  71
GLY A  72
PHE A 215
PHE A 243
 None
 0.87A 3ko0D-3fj7A:
undetectable
3ko0E-3fj7A:
undetectable		 3ko0D-3fj7A:
18.80
3ko0E-3fj7A:
18.80
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.
3foc TRYPTOPHANYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00579
(tRNA-synt_1b) 		4 PHE A 181
GLY A 182
PHE A 183
PHE A 194
 None
 0.93A 3ko0D-3focA:
undetectable
3ko0E-3focA:
undetectable		 3ko0D-3focA:
12.28
3ko0E-3focA:
12.28
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE B  41
GLY B 396
MET B 158
PHE B 163
 None
 1.11A 3ko0D-3h0gB:
undetectable
3ko0E-3h0gB:
undetectable		 3ko0D-3h0gB:
6.27
3ko0E-3h0gB:
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.
3h2y GTPASE FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01926
(MMR_HSR1) 		4 PHE A 259
GLY A 262
PHE A 266
PHE A 336
 None
 0.99A 3ko0D-3h2yA:
undetectable
3ko0E-3h2yA:
undetectable		 3ko0D-3h2yA:
13.39
3ko0E-3h2yA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN

(Streptomyces
coelicolor) 		PF01547
(SBP_bac_1) 		4 GLY A 321
PHE A 322
PHE A 341
PHE A 338
 None
 1.11A 3ko0D-3i3vA:
undetectable
3ko0E-3i3vA:
undetectable		 3ko0D-3i3vA:
12.59
3ko0E-3i3vA:
12.59
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.
3iyj MAJOR CAPSID PROTEIN
L1

(Deltapapillomavirus
4) 		no annotation 4 GLY F 156
PHE F 327
PHE F 441
PHE F 443
 None
 1.15A 3ko0D-3iyjF:
undetectable
3ko0E-3iyjF:
undetectable		 3ko0D-3iyjF:
11.72
3ko0E-3iyjF:
11.72
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.
3j1v PROTEIN INVG

(Salmonella
enterica) 		no annotation 4 PHE A  35
GLY A  34
PHE A  74
PHE A  46
 None
 1.06A 3ko0D-3j1vA:
undetectable
3ko0E-3j1vA:
undetectable		 3ko0D-3j1vA:
18.83
3ko0E-3j1vA:
18.83
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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 PHE A 331
GLY A 328
PHE A 352
PHE A 340
 None
 1.07A 3ko0D-3ldgA:
undetectable
3ko0E-3ldgA:
undetectable		 3ko0D-3ldgA:
15.06
3ko0E-3ldgA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mx3 SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		4 GLY A 179
PHE A 177
PHE A 117
PHE A 171
 None
 1.10A 3ko0D-3mx3A:
undetectable
3ko0E-3mx3A:
undetectable		 3ko0D-3mx3A:
11.04
3ko0E-3mx3A:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohu TRANSCRIPTION
REGULATOR PROTEIN
BACH2

(Homo sapiens) 		PF00651
(BTB) 		4 GLY A  88
PHE A  87
CYH A  58
PHE A  62
 None
 1.13A 3ko0D-3ohuA:
undetectable
3ko0E-3ohuA:
undetectable		 3ko0D-3ohuA:
24.41
3ko0E-3ohuA:
24.41
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.
3qfv CDC42BPB PROTEIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 PHE A  87
GLY A  85
CYH A 120
PHE A 121
 None
 1.07A 3ko0D-3qfvA:
undetectable
3ko0E-3qfvA:
undetectable		 3ko0D-3qfvA:
13.29
3ko0E-3qfvA:
13.29
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.
3r3j GLUTAMATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 497
GLY A 496
PHE A 176
PHE A 172
 None
 0.99A 3ko0D-3r3jA:
1.0
3ko0E-3r3jA:
1.2		 3ko0D-3r3jA:
14.88
3ko0E-3r3jA:
14.88
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 PHE A 309
GLY A 310
PHE A 311
PHE A 225
 None
 1.13A 3ko0D-3rjyA:
undetectable
3ko0E-3rjyA:
undetectable		 3ko0D-3rjyA:
15.94
3ko0E-3rjyA:
15.94
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.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 PHE B  16
CYH B  65
PHE B  68
PHE B  90
 None
 0.94A 3ko0D-3t5vB:
undetectable
3ko0E-3t5vB:
undetectable		 3ko0D-3t5vB:
13.08
3ko0E-3t5vB:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		4 PHE A 269
GLY A 243
PHE A 242
PHE A 252
 None
EDO  A1101 (-3.2A)
None
None
 0.94A 3ko0D-3thcA:
undetectable
3ko0E-3thcA:
undetectable		 3ko0D-3thcA:
10.22
3ko0E-3thcA:
10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ts3 CAPSID POLYPROTEIN

(Avastrovirus 3) 		PF16580
(Astro_capsid_p2) 		4 GLY A 573
PHE A 621
CYH A 457
PHE A 456
 None
 1.14A 3ko0D-3ts3A:
undetectable
3ko0E-3ts3A:
undetectable		 3ko0D-3ts3A:
20.87
3ko0E-3ts3A:
20.87
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 4 GLY A 110
PHE A 183
PHE A 217
PHE A 137
 None
 1.02A 3ko0D-3w9aA:
undetectable
3ko0E-3w9aA:
undetectable		 3ko0D-3w9aA:
17.95
3ko0E-3w9aA:
17.95
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.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE

(Variovorax
paradoxus) 		PF00202
(Aminotran_3) 		4 GLY A 158
PHE A 166
PHE A 177
PHE A 179
 None
 1.14A 3ko0D-4aoaA:
undetectable
3ko0E-4aoaA:
undetectable		 3ko0D-4aoaA:
10.53
3ko0E-4aoaA:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 PHE A  88
GLY A  86
CYH A 121
PHE A 122
 EDO  A1419 ( 4.8A)
None
None
None
 0.95A 3ko0D-4aw2A:
1.3
3ko0E-4aw2A:
undetectable		 3ko0D-4aw2A:
16.27
3ko0E-4aw2A:
16.27
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.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 434
GLY A 433
PHE A 115
PHE A 111
 None
 0.97A 3ko0D-4bhtA:
0.2
3ko0E-4bhtA:
undetectable		 3ko0D-4bhtA:
15.11
3ko0E-4bhtA:
15.11
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		4 GLY A 132
PHE A 134
MET A  90
PHE A  81
 None
 1.07A 3ko0D-4bx9A:
undetectable
3ko0E-4bx9A:
undetectable		 3ko0D-4bx9A:
10.52
3ko0E-4bx9A:
10.52
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.
4d63 FIBER KNOB DOMAIN

(Turkey
siadenovirus A) 		no annotation 4 GLY A 387
PHE A 324
PHE A 449
PHE A 347
 None
 1.11A 3ko0D-4d63A:
undetectable
3ko0E-4d63A:
undetectable		 3ko0D-4d63A:
16.95
3ko0E-4d63A:
16.95
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		4 PHE A 324
GLY A 335
PHE A 334
PHE A 310
 None
 0.96A 3ko0D-4fe9A:
undetectable
3ko0E-4fe9A:
undetectable		 3ko0D-4fe9A:
11.54
3ko0E-4fe9A:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gu7 PUTATIVE
UNCHARACTERIZED
PROTEIN SCO7193

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		4 PHE A 248
GLY A 138
PHE A 139
PHE A 256
 None
 1.09A 3ko0D-4gu7A:
undetectable
3ko0E-4gu7A:
undetectable		 3ko0D-4gu7A:
14.50
3ko0E-4gu7A:
14.50
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.
4gz2 TYROSYL-DNA
PHOSPHODIESTERASE 2

(Mus musculus) 		PF03372
(Exo_endo_phos) 		4 GLY A 271
PHE A 159
CYH A 231
PHE A 230
 None
 0.99A 3ko0D-4gz2A:
undetectable
3ko0E-4gz2A:
undetectable		 3ko0D-4gz2A:
16.73
3ko0E-4gz2A:
16.73
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 4 PHE B 422
GLY B 423
PHE B  73
PHE B 275
 None
 1.16A 3ko0D-4iu9B:
undetectable
3ko0E-4iu9B:
undetectable		 3ko0D-4iu9B:
11.26
3ko0E-4iu9B:
11.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jb7 ACCESSORY
COLONIZATION FACTOR
ACFC

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		4 PHE A  75
GLY A  76
PHE A 220
PHE A 249
 None
 0.97A 3ko0D-4jb7A:
undetectable
3ko0E-4jb7A:
undetectable		 3ko0D-4jb7A:
17.49
3ko0E-4jb7A:
17.49
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.
4jot ENOYL-COA HYDRATASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF00378
(ECH_1) 		4 GLY A 119
MET A  95
PHE A  44
PHE A  40
 None
 0.96A 3ko0D-4jotA:
undetectable
3ko0E-4jotA:
undetectable		 3ko0D-4jotA:
14.39
3ko0E-4jotA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8r HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF16023
(DUF4784) 		4 GLY A 331
PHE A 330
PHE A 364
PHE A 382
 None
 1.01A 3ko0D-4m8rA:
undetectable
3ko0E-4m8rA:
undetectable		 3ko0D-4m8rA:
16.58
3ko0E-4m8rA:
16.58
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 PHE A 234
GLY A 210
PHE A 209
PHE A 217
 None
 0.77A 3ko0D-4madA:
undetectable
3ko0E-4madA:
undetectable		 3ko0D-4madA:
9.00
3ko0E-4madA:
9.00
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		4 PHE A 298
GLY A 297
MET A 269
PHE A 291
 None
 1.10A 3ko0D-4mynA:
undetectable
3ko0E-4mynA:
undetectable		 3ko0D-4mynA:
14.87
3ko0E-4mynA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nvr PUTATIVE
ACYLTRANSFERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 PHE A 138
GLY A 114
CYH A 244
PHE A 299
 None
 1.13A 3ko0D-4nvrA:
undetectable
3ko0E-4nvrA:
undetectable		 3ko0D-4nvrA:
14.62
3ko0E-4nvrA:
14.62
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.
4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI

(Bacillus
subtilis) 		PF00378
(ECH_1) 		4 PHE A  81
GLY A 141
MET A 229
PHE A 136
 None
 1.07A 3ko0D-4q1jA:
undetectable
3ko0E-4q1jA:
undetectable		 3ko0D-4q1jA:
17.42
3ko0E-4q1jA:
17.42
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.
4qhx UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF11958
(DUF3472)
PF16871
(DUF5077) 		4 GLY A 198
PHE A 197
PHE A 305
PHE A 216
 PEG  A 518 (-4.6A)
None
None
None
 1.15A 3ko0D-4qhxA:
undetectable
3ko0E-4qhxA:
undetectable		 3ko0D-4qhxA:
13.59
3ko0E-4qhxA:
13.59
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		4 PHE A 217
PHE A 191
PHE A 232
PHE A 176
 None
 1.16A 3ko0D-4tqkA:
undetectable
3ko0E-4tqkA:
undetectable		 3ko0D-4tqkA:
11.79
3ko0E-4tqkA:
11.79
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		4 PHE A 273
GLY A 251
PHE A 287
PHE A 232
 None
 0.92A 3ko0D-4tqkA:
undetectable
3ko0E-4tqkA:
undetectable		 3ko0D-4tqkA:
11.79
3ko0E-4tqkA:
11.79
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		4 PHE A 347
PHE A 344
PHE A  65
PHE A  54
 None
 1.16A 3ko0D-4zzeA:
undetectable
3ko0E-4zzeA:
undetectable		 3ko0D-4zzeA:
13.74
3ko0E-4zzeA:
13.74
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.
5a1k ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 PHE A 283
GLY A 298
PHE A 272
PHE A 344
 None
 0.90A 3ko0D-5a1kA:
undetectable
3ko0E-5a1kA:
undetectable		 3ko0D-5a1kA:
17.30
3ko0E-5a1kA:
17.30
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.
5a1m ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 PHE A 283
GLY A 298
PHE A 272
PHE A 344
 None
 0.96A 3ko0D-5a1mA:
undetectable
3ko0E-5a1mA:
undetectable		 3ko0D-5a1mA:
22.41
3ko0E-5a1mA:
22.41
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.
5a8d CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43) 		4 PHE A 181
GLY A 168
MET A 208
PHE A 213
 None
GOL  A1340 (-3.3A)
None
None
 1.15A 3ko0D-5a8dA:
undetectable
3ko0E-5a8dA:
undetectable		 3ko0D-5a8dA:
11.96
3ko0E-5a8dA:
11.96
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.
5b3h PROTEIN SCARECROW

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		4 GLY A 416
PHE A 418
PHE A 463
PHE A 461
 None
 0.97A 3ko0D-5b3hA:
2.2
3ko0E-5b3hA:
2.3		 3ko0D-5b3hA:
15.18
3ko0E-5b3hA:
15.18
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.
5cow PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
remanei) 		no annotation 4 PHE A 309
GLY A 347
PHE A 340
PHE A 442
 None
 0.89A 3ko0D-5cowA:
undetectable
3ko0E-5cowA:
undetectable		 3ko0D-5cowA:
17.81
3ko0E-5cowA:
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		4 GLY A 154
CYH A 239
PHE A 242
PHE A 190
 None
 0.87A 3ko0D-5exeA:
undetectable
3ko0E-5exeA:
undetectable		 3ko0D-5exeA:
11.84
3ko0E-5exeA:
11.84
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 PHE A 391
GLY A 367
PHE A 388
PHE A 337
 None
 1.04A 3ko0D-5fkuA:
undetectable
3ko0E-5fkuA:
undetectable		 3ko0D-5fkuA:
6.92
3ko0E-5fkuA:
6.92
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 434
GLY A 433
PHE A 115
PHE A 111
 None
 0.93A 3ko0D-5ijzA:
undetectable
3ko0E-5ijzA:
undetectable		 3ko0D-5ijzA:
14.91
3ko0E-5ijzA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 PHE A 307
GLY A 308
PHE A 310
PHE A 290
 None
 1.16A 3ko0D-5jseA:
undetectable
3ko0E-5jseA:
undetectable		 3ko0D-5jseA:
9.87
3ko0E-5jseA:
9.87
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		4 PHE A 114
GLY A 111
PHE A 358
PHE A 239
 None
 1.05A 3ko0D-5m8jA:
undetectable
3ko0E-5m8jA:
undetectable		 3ko0D-5m8jA:
11.13
3ko0E-5m8jA:
11.13
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.
5mu7 COATOMER SUBUNIT
BETA

(Chaetomium
thermophilum) 		PF01602
(Adaptin_N) 		4 PHE A 212
GLY A 214
PHE A 229
PHE A 193
 None
 1.04A 3ko0D-5mu7A:
undetectable
3ko0E-5mu7A:
undetectable		 3ko0D-5mu7A:
14.96
3ko0E-5mu7A:
14.96
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.
5nck N-ACETYLMANNOSAMINE
KINASE

(Fusobacterium
nucleatum) 		PF00480
(ROK) 		4 GLY A 137
PHE A 157
PHE A 147
PHE A 226
 None
 1.14A 3ko0D-5nckA:
undetectable
3ko0E-5nckA:
undetectable		 3ko0D-5nckA:
15.82
3ko0E-5nckA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4

(Homo sapiens) 		no annotation 4 PHE A 486
GLY A 446
PHE A 576
PHE A 533
 None
 1.00A 3ko0D-5nqaA:
undetectable
3ko0E-5nqaA:
undetectable		 3ko0D-5nqaA:
22.88
3ko0E-5nqaA:
22.88
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 301
GLY B 331
PHE B 332
PHE B 314
 None
 0.99A 3ko0D-5swiB:
undetectable
3ko0E-5swiB:
undetectable		 3ko0D-5swiB:
10.84
3ko0E-5swiB:
10.84
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 301
PHE B 332
PHE B 317
PHE B 314
 None
 1.06A 3ko0D-5swiB:
undetectable
3ko0E-5swiB:
undetectable		 3ko0D-5swiB:
10.84
3ko0E-5swiB:
10.84
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 317
PHE B 314
PHE B 301
PHE B 332
 None
 1.12A 3ko0D-5swiB:
undetectable
3ko0E-5swiB:
undetectable		 3ko0D-5swiB:
10.84
3ko0E-5swiB:
10.84
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.
5tdc E3 UBIQUITIN-PROTEIN
LIGASE UBR1

(Homo sapiens) 		PF02207
(zf-UBR) 		4 PHE A 148
GLY A 146
PHE A 103
CYH A 121
 None
SO4  A 204 (-4.3A)
SO4  A 204 (-4.8A)
None
 1.10A 3ko0D-5tdcA:
undetectable
3ko0E-5tdcA:
undetectable		 3ko0D-5tdcA:
17.14
3ko0E-5tdcA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukw GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Homo sapiens) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		4 PHE A  56
GLY A  59
PHE A  34
PHE A 445
 None
 1.06A 3ko0D-5ukwA:
undetectable
3ko0E-5ukwA:
undetectable		 3ko0D-5ukwA:
10.78
3ko0E-5ukwA:
10.78
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.
5wix P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 4 PHE A 135
GLY A 127
PHE A 137
PHE A  72
 None
 1.15A 3ko0D-5wixA:
undetectable
3ko0E-5wixA:
undetectable		 3ko0D-5wixA:
11.83
3ko0E-5wixA:
11.83
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		4 PHE A1001
GLY A 789
PHE A 788
PHE A 977
 None
 1.05A 3ko0D-5x59A:
undetectable
3ko0E-5x59A:
undetectable		 3ko0D-5x59A:
6.21
3ko0E-5x59A:
6.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 4 PHE A 446
GLY A 445
PHE A 101
PHE A  97
 None
 0.98A 3ko0D-5xviA:
undetectable
3ko0E-5xviA:
undetectable		 3ko0D-5xviA:
24.30
3ko0E-5xviA:
24.30
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.
5y9c MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
9) 		no annotation 4 PHE A 127
GLY A 265
PHE A 261
PHE A 292
 None
 1.02A 3ko0D-5y9cA:
undetectable
3ko0E-5y9cA:
undetectable		 3ko0D-5y9cA:
13.03
3ko0E-5y9cA:
13.03
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.
5zov -

(-) 		no annotation 5 PHE A  52
GLY A  51
PHE A 290
MET A  90
PHE A 138
 None
 1.34A 3ko0D-5zovA:
undetectable
3ko0E-5zovA:
0.8		 3ko0D-5zovA:
undetectable
3ko0E-5zovA:
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.
6bsu XYLOGLUCAN
6-XYLOSYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 PHE A 450
GLY A 186
MET A 235
PHE A 237
 None
 1.06A 3ko0D-6bsuA:
undetectable
3ko0E-6bsuA:
undetectable		 3ko0D-6bsuA:
19.80
3ko0E-6bsuA:
19.80