SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_O_TFPO202_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.
1ag9 FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 LEU A 142
PHE A  86
ILE A  18
ASP A 145
SER A 130
 None
 1.24A 3ko0O-1ag9A:
undetectable
3ko0P-1ag9A:
undetectable
3ko0Q-1ag9A:
undetectable
3ko0R-1ag9A:
undetectable		 3ko0O-1ag9A:
22.70
3ko0P-1ag9A:
22.70
3ko0Q-1ag9A:
22.70
3ko0R-1ag9A:
22.70
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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 106
PHE A  56
GLU A 191
ASP A 233
ASP A  71
 None
None
CER  A 413 (-3.7A)
None
None
 1.44A 3ko0O-1b3nA:
undetectable
3ko0P-1b3nA:
undetectable
3ko0Q-1b3nA:
0.0
3ko0R-1b3nA:
0.1		 3ko0O-1b3nA:
12.50
3ko0P-1b3nA:
12.50
3ko0Q-1b3nA:
12.50
3ko0R-1b3nA:
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.
1czk FLAVODOXIN

(Synechococcus
elongatus) 		PF00258
(Flavodoxin_1) 		5 LEU A 141
PHE A  86
ILE A  17
ASP A 144
SER A 130
 None
 1.21A 3ko0O-1czkA:
undetectable
3ko0P-1czkA:
undetectable
3ko0Q-1czkA:
undetectable
3ko0R-1czkA:
undetectable		 3ko0O-1czkA:
21.02
3ko0P-1czkA:
21.02
3ko0Q-1czkA:
21.02
3ko0R-1czkA:
21.02
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.
1edg ENDOGLUCANASE A

([Clostridium]
cellulolyticum) 		PF00150
(Cellulase) 		5 LEU A 119
PHE A 165
ILE A 152
ASP A 124
PHE A 203
 None
 1.32A 3ko0O-1edgA:
undetectable
3ko0P-1edgA:
undetectable
3ko0Q-1edgA:
undetectable
3ko0R-1edgA:
undetectable		 3ko0O-1edgA:
13.94
3ko0P-1edgA:
13.94
3ko0Q-1edgA:
13.94
3ko0R-1edgA:
13.94
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.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		5 LEU A 436
SER A 486
ILE A 423
ASP A 439
ASP A 482
 None
 1.13A 3ko0O-1pz3A:
undetectable
3ko0P-1pz3A:
undetectable
3ko0Q-1pz3A:
undetectable
3ko0R-1pz3A:
undetectable		 3ko0O-1pz3A:
12.17
3ko0P-1pz3A:
12.17
3ko0Q-1pz3A:
12.17
3ko0R-1pz3A:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 576
SER A 577
PHE A 566
PHE A 468
GLU A 580
 None
 1.34A 3ko0O-1sb3A:
undetectable
3ko0P-1sb3A:
undetectable
3ko0Q-1sb3A:
0.0
3ko0R-1sb3A:
undetectable		 3ko0O-1sb3A:
7.84
3ko0P-1sb3A:
7.84
3ko0Q-1sb3A:
7.84
3ko0R-1sb3A:
7.84
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 SER A 161
ILE A 119
PHE A 198
GLU A 117
ASP A 116
 None
 1.42A 3ko0O-1u08A:
undetectable
3ko0P-1u08A:
undetectable
3ko0Q-1u08A:
0.0
3ko0R-1u08A:
0.0		 3ko0O-1u08A:
13.17
3ko0P-1u08A:
13.17
3ko0Q-1u08A:
13.17
3ko0R-1u08A:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 LEU A 350
PHE A 353
ILE A 390
ASP A 342
SER A 377
 None
 1.30A 3ko0O-1uc4A:
undetectable
3ko0P-1uc4A:
undetectable
3ko0Q-1uc4A:
0.0
3ko0R-1uc4A:
0.0		 3ko0O-1uc4A:
9.76
3ko0P-1uc4A:
9.76
3ko0Q-1uc4A:
9.76
3ko0R-1uc4A:
9.76
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.
1v38 SAM-DOMAIN PROTEIN
SAMSN-1

(Mus musculus) 		PF07647
(SAM_2) 		5 LEU A  32
ILE A  15
GLU A  37
ASP A  40
SER A   6
 None
 1.36A 3ko0O-1v38A:
undetectable
3ko0P-1v38A:
undetectable
3ko0Q-1v38A:
undetectable
3ko0R-1v38A:
undetectable		 3ko0O-1v38A:
20.37
3ko0P-1v38A:
20.37
3ko0Q-1v38A:
20.37
3ko0R-1v38A:
20.37
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.
1ybi NON-TOXIN
HAEMAGGLUTININ HA34

(Clostridium
botulinum) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 LEU A 129
ILE A  82
ASP A 121
PHE A 140
SER A 135
 None
 1.31A 3ko0O-1ybiA:
undetectable
3ko0P-1ybiA:
undetectable
3ko0Q-1ybiA:
undetectable
3ko0R-1ybiA:
undetectable		 3ko0O-1ybiA:
14.58
3ko0P-1ybiA:
14.58
3ko0Q-1ybiA:
14.58
3ko0R-1ybiA:
14.58
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.
1zzm PUTATIVE
DEOXYRIBONUCLEASE
YJJV

(Escherichia
coli) 		PF01026
(TatD_DNase) 		5 LEU A  25
SER A  24
ILE A  36
CYH A  10
ASP A  13
 None
 1.17A 3ko0O-1zzmA:
undetectable
3ko0P-1zzmA:
undetectable
3ko0Q-1zzmA:
0.0
3ko0R-1zzmA:
undetectable		 3ko0O-1zzmA:
14.89
3ko0P-1zzmA:
14.89
3ko0Q-1zzmA:
14.89
3ko0R-1zzmA:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		5 LEU A 207
SER A 186
ILE A  65
CYH A  97
SER A 191
 None
 1.38A 3ko0O-2dg2A:
undetectable
3ko0P-2dg2A:
undetectable
3ko0Q-2dg2A:
undetectable
3ko0R-2dg2A:
undetectable		 3ko0O-2dg2A:
15.35
3ko0P-2dg2A:
15.35
3ko0Q-2dg2A:
15.35
3ko0R-2dg2A:
15.35
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 LEU A 186
SER A 185
ILE A   3
PHE A  38
SER A 162
 None
 1.37A 3ko0O-2nuxA:
undetectable
3ko0P-2nuxA:
undetectable
3ko0Q-2nuxA:
undetectable
3ko0R-2nuxA:
undetectable		 3ko0O-2nuxA:
16.38
3ko0P-2nuxA:
16.38
3ko0Q-2nuxA:
16.38
3ko0R-2nuxA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 LEU A  49
PHE A  69
ILE A 137
PHE A  52
ASP A  84
 None
None
None
U5P  A 502 ( 4.4A)
None
 1.50A 3ko0O-2q0fA:
undetectable
3ko0P-2q0fA:
undetectable
3ko0Q-2q0fA:
0.0
3ko0R-2q0fA:
0.0		 3ko0O-2q0fA:
13.66
3ko0P-2q0fA:
13.66
3ko0Q-2q0fA:
13.66
3ko0R-2q0fA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 LEU A 154
ILE A 184
PHE A 223
GLU A 180
ASP A 178
 None
 1.49A 3ko0O-2qhpA:
undetectable
3ko0P-2qhpA:
undetectable
3ko0Q-2qhpA:
0.0
3ko0R-2qhpA:
undetectable		 3ko0O-2qhpA:
16.61
3ko0P-2qhpA:
16.61
3ko0Q-2qhpA:
16.61
3ko0R-2qhpA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qoj INTRON-ENCODED DNA
ENDONUCLEASE I-ANII

(Aspergillus
nidulans) 		PF00961
(LAGLIDADG_1) 		5 LEU Z 216
PHE Z 215
ILE Z 145
PHE Z 187
SER Z 205
 None
 1.33A 3ko0O-2qojZ:
undetectable
3ko0P-2qojZ:
undetectable
3ko0Q-2qojZ:
undetectable
3ko0R-2qojZ:
undetectable		 3ko0O-2qojZ:
17.93
3ko0P-2qojZ:
17.93
3ko0Q-2qojZ:
17.93
3ko0R-2qojZ:
17.93
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.
2qsd UNCHARACTERIZED
CONSERVED PROTEIN

(Idiomarina
loihiensis) 		PF07566
(DUF1543) 		5 LEU A  55
SER A  57
PHE A  58
ASP A  26
ASP A 103
 None
 1.41A 3ko0O-2qsdA:
undetectable
3ko0P-2qsdA:
undetectable
3ko0Q-2qsdA:
undetectable
3ko0R-2qsdA:
undetectable		 3ko0O-2qsdA:
22.10
3ko0P-2qsdA:
22.10
3ko0Q-2qsdA:
22.10
3ko0R-2qsdA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 LEU A 738
ILE A 769
PHE A 705
ASP A 748
PHE A 751
 None
 1.16A 3ko0O-2v26A:
undetectable
3ko0P-2v26A:
undetectable
3ko0Q-2v26A:
1.0
3ko0R-2v26A:
1.4		 3ko0O-2v26A:
9.24
3ko0P-2v26A:
9.24
3ko0Q-2v26A:
9.24
3ko0R-2v26A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wn4 ADP-RIBOSYLTRANSFERA
SE ENZYMATIC
COMPONENT

(Clostridioides
difficile) 		PF03496
(ADPrib_exo_Tox) 		5 LEU A 363
ILE A 398
PHE A 107
ASP A 402
ASP A 141
 None
 1.16A 3ko0O-2wn4A:
undetectable
3ko0P-2wn4A:
undetectable
3ko0Q-2wn4A:
undetectable
3ko0R-2wn4A:
undetectable		 3ko0O-2wn4A:
13.10
3ko0P-2wn4A:
13.10
3ko0Q-2wn4A:
13.10
3ko0R-2wn4A:
13.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 LEU A 918
ILE A 896
GLU A 843
PHE A 869
ASP A 928
 None
 1.45A 3ko0O-2zaiA:
undetectable
3ko0P-2zaiA:
undetectable
3ko0Q-2zaiA:
undetectable
3ko0R-2zaiA:
undetectable		 3ko0O-2zaiA:
10.47
3ko0P-2zaiA:
10.47
3ko0Q-2zaiA:
10.47
3ko0R-2zaiA:
10.47
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.
2zqp PREPROTEIN
TRANSLOCASE SECY
SUBUNIT

(Thermus
thermophilus) 		PF00344
(SecY) 		5 LEU Y  61
SER Y  63
PHE Y  62
ILE Y 192
SER Y  71
 None
 1.45A 3ko0O-2zqpY:
undetectable
3ko0P-2zqpY:
undetectable
3ko0Q-2zqpY:
undetectable
3ko0R-2zqpY:
undetectable		 3ko0O-2zqpY:
11.03
3ko0P-2zqpY:
11.03
3ko0Q-2zqpY:
11.03
3ko0R-2zqpY:
11.03
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 LEU A 873
SER A 875
PHE A 877
ILE A 915
ASP A 774
 None
 1.42A 3ko0O-3a6pA:
undetectable
3ko0P-3a6pA:
undetectable
3ko0Q-3a6pA:
0.6
3ko0R-3a6pA:
0.0		 3ko0O-3a6pA:
6.52
3ko0P-3a6pA:
6.52
3ko0Q-3a6pA:
6.52
3ko0R-3a6pA:
6.52
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 LEU A 107
PHE A 149
ILE A 136
PHE A 182
SER A 227
 None
 1.32A 3ko0O-3ayrA:
undetectable
3ko0P-3ayrA:
undetectable
3ko0Q-3ayrA:
undetectable
3ko0R-3ayrA:
undetectable		 3ko0O-3ayrA:
14.80
3ko0P-3ayrA:
14.80
3ko0Q-3ayrA:
14.80
3ko0R-3ayrA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3buz IOTA TOXIN COMPONENT
IA

(Clostridium
perfringens) 		PF03496
(ADPrib_exo_Tox) 		5 LEU A 356
ILE A 391
PHE A 100
ASP A 395
ASP A 134
 None
 1.21A 3ko0O-3buzA:
undetectable
3ko0P-3buzA:
undetectable
3ko0Q-3buzA:
undetectable
3ko0R-3buzA:
undetectable		 3ko0O-3buzA:
12.71
3ko0P-3buzA:
12.71
3ko0Q-3buzA:
12.71
3ko0R-3buzA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 SER A 171
PHE A 410
ILE A 395
PHE A 298
ASP A 164
 None
 1.21A 3ko0O-3eafA:
undetectable
3ko0P-3eafA:
undetectable
3ko0Q-3eafA:
undetectable
3ko0R-3eafA:
undetectable		 3ko0O-3eafA:
12.92
3ko0P-3eafA:
12.92
3ko0Q-3eafA:
12.92
3ko0R-3eafA:
12.92
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.
3eua PUTATIVE
FRUCTOSE-AMINOACID-6
-PHOSPHATE DEGLYCASE

(Bacillus
subtilis) 		PF01380
(SIS) 		5 SER A  50
PHE A  28
GLU A 152
ASP A  25
PHE A  46
 None
 1.36A 3ko0O-3euaA:
0.0
3ko0P-3euaA:
0.0
3ko0Q-3euaA:
undetectable
3ko0R-3euaA:
0.0		 3ko0O-3euaA:
17.58
3ko0P-3euaA:
17.58
3ko0Q-3euaA:
17.58
3ko0R-3euaA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		5 SER X 268
PHE X 281
GLU X 282
ASP X 250
SER X 253
 None
None
NAI  X 401 ( 3.2A)
NAI  X 401 ( 4.5A)
None
 1.36A 3ko0O-3fmxX:
undetectable
3ko0P-3fmxX:
undetectable
3ko0Q-3fmxX:
undetectable
3ko0R-3fmxX:
undetectable		 3ko0O-3fmxX:
13.35
3ko0P-3fmxX:
13.35
3ko0Q-3fmxX:
13.35
3ko0R-3fmxX:
13.35
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.
3hwp PHLG

(Pseudomonas
protegens) 		no annotation 5 LEU A 181
SER A 178
ILE A  68
PHE A 240
ASP A 172
 None
 1.17A 3ko0O-3hwpA:
undetectable
3ko0P-3hwpA:
undetectable
3ko0Q-3hwpA:
undetectable
3ko0R-3hwpA:
undetectable		 3ko0O-3hwpA:
15.77
3ko0P-3hwpA:
15.77
3ko0Q-3hwpA:
15.77
3ko0R-3hwpA:
15.77
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 LEU A 289
SER A 285
PHE A 288
ILE A 251
ASP A 229
 None
None
None
None
FE  A 334 (-3.1A)
 1.32A 3ko0O-3ktcA:
undetectable
3ko0P-3ktcA:
undetectable
3ko0Q-3ktcA:
undetectable
3ko0R-3ktcA:
undetectable		 3ko0O-3ktcA:
16.22
3ko0P-3ktcA:
16.22
3ko0Q-3ktcA:
16.22
3ko0R-3ktcA:
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.
3l15 TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-4

(Homo sapiens) 		no annotation 5 LEU A 230
SER A 331
ILE A 254
PHE A 251
SER A 377
 None
 1.09A 3ko0O-3l15A:
undetectable
3ko0P-3l15A:
undetectable
3ko0Q-3l15A:
undetectable
3ko0R-3l15A:
undetectable		 3ko0O-3l15A:
20.36
3ko0P-3l15A:
20.36
3ko0Q-3l15A:
20.36
3ko0R-3l15A:
20.36
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.
3oqv ALBC

(Streptomyces
noursei) 		PF16715
(CDPS) 		5 LEU A 212
SER A 213
PHE A 211
ILE A 208
ASP A 205
 None
None
None
DTD  A 248 ( 4.1A)
None
 1.30A 3ko0O-3oqvA:
undetectable
3ko0P-3oqvA:
undetectable
3ko0Q-3oqvA:
undetectable
3ko0R-3oqvA:
0.0		 3ko0O-3oqvA:
15.73
3ko0P-3oqvA:
15.73
3ko0Q-3oqvA:
15.73
3ko0R-3oqvA:
15.73
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 LEU A 332
PHE A 331
ILE A 314
PHE A 293
ASP A 344
 None
 1.33A 3ko0O-3rreA:
undetectable
3ko0P-3rreA:
undetectable
3ko0Q-3rreA:
undetectable
3ko0R-3rreA:
0.0		 3ko0O-3rreA:
11.38
3ko0P-3rreA:
11.38
3ko0Q-3rreA:
11.38
3ko0R-3rreA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t79 KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		5 LEU A 340
SER A 343
ILE A 199
CYH A 197
PHE A 195
 None
 1.46A 3ko0O-3t79A:
undetectable
3ko0P-3t79A:
undetectable
3ko0Q-3t79A:
undetectable
3ko0R-3t79A:
undetectable		 3ko0O-3t79A:
13.68
3ko0P-3t79A:
13.68
3ko0Q-3t79A:
13.68
3ko0R-3t79A:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  17
ILE A  19
PHE A 338
GLU A  53
SER A 318
 None
 1.48A 3ko0O-3u9iA:
undetectable
3ko0P-3u9iA:
undetectable
3ko0Q-3u9iA:
undetectable
3ko0R-3u9iA:
undetectable		 3ko0O-3u9iA:
13.30
3ko0P-3u9iA:
13.30
3ko0Q-3u9iA:
13.30
3ko0R-3u9iA:
13.30
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 LEU A 242
SER A 188
ILE A 236
PHE A 291
SER A 260
 None
 1.46A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
undetectable		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 188
ILE A 236
CYH A 172
PHE A 291
SER A 260
 None
 1.40A 3ko0O-3upyA:
undetectable
3ko0P-3upyA:
undetectable
3ko0Q-3upyA:
undetectable
3ko0R-3upyA:
undetectable		 3ko0O-3upyA:
12.68
3ko0P-3upyA:
12.68
3ko0Q-3upyA:
12.68
3ko0R-3upyA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 LEU A 365
ILE A 452
PHE A 459
GLU A 346
ASP A 427
 None
 1.48A 3ko0O-3wiqA:
undetectable
3ko0P-3wiqA:
undetectable
3ko0Q-3wiqA:
undetectable
3ko0R-3wiqA:
undetectable		 3ko0O-3wiqA:
9.49
3ko0P-3wiqA:
9.49
3ko0Q-3wiqA:
9.49
3ko0R-3wiqA:
9.49
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 LEU A 365
PHE A 459
GLU A 346
ASP A 427
SER A 393
 None
 1.40A 3ko0O-3wiqA:
undetectable
3ko0P-3wiqA:
undetectable
3ko0Q-3wiqA:
undetectable
3ko0R-3wiqA:
undetectable		 3ko0O-3wiqA:
9.49
3ko0P-3wiqA:
9.49
3ko0Q-3wiqA:
9.49
3ko0R-3wiqA:
9.49
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 LEU A 334
PHE A 333
ILE A 236
PHE A 264
ASP A 325
 None
 1.13A 3ko0O-3wnpA:
undetectable
3ko0P-3wnpA:
undetectable
3ko0Q-3wnpA:
undetectable
3ko0R-3wnpA:
undetectable		 3ko0O-3wnpA:
9.04
3ko0P-3wnpA:
9.04
3ko0Q-3wnpA:
9.04
3ko0R-3wnpA:
9.04
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.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 103
ILE A  14
PHE A 167
ASP A 163
SER A 162
 None
 1.33A 3ko0O-3wrvA:
undetectable
3ko0P-3wrvA:
undetectable
3ko0Q-3wrvA:
undetectable
3ko0R-3wrvA:
undetectable		 3ko0O-3wrvA:
20.00
3ko0P-3wrvA:
20.00
3ko0Q-3wrvA:
20.00
3ko0R-3wrvA:
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.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 107
ILE A  14
PHE A 167
ASP A 163
SER A 162
 None
 1.39A 3ko0O-3wrvA:
undetectable
3ko0P-3wrvA:
undetectable
3ko0Q-3wrvA:
undetectable
3ko0R-3wrvA:
undetectable		 3ko0O-3wrvA:
20.00
3ko0P-3wrvA:
20.00
3ko0Q-3wrvA:
20.00
3ko0R-3wrvA:
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 LEU A 738
ILE A 769
PHE A 705
ASP A 748
PHE A 751
 None
 1.24A 3ko0O-4anjA:
undetectable
3ko0P-4anjA:
undetectable
3ko0Q-4anjA:
undetectable
3ko0R-4anjA:
undetectable		 3ko0O-4anjA:
6.93
3ko0P-4anjA:
6.93
3ko0Q-4anjA:
6.93
3ko0R-4anjA:
6.93
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 LEU A  99
SER A  62
ILE A  73
ASP A 363
SER A 361
 None
 1.37A 3ko0O-4ay1A:
undetectable
3ko0P-4ay1A:
undetectable
3ko0Q-4ay1A:
undetectable
3ko0R-4ay1A:
undetectable		 3ko0O-4ay1A:
13.70
3ko0P-4ay1A:
13.70
3ko0Q-4ay1A:
13.70
3ko0R-4ay1A:
13.70
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 LEU A 332
PHE A 327
ILE A 325
ASP A 318
ASP A 351
 None
 1.28A 3ko0O-4bhdA:
undetectable
3ko0P-4bhdA:
undetectable
3ko0Q-4bhdA:
undetectable
3ko0R-4bhdA:
undetectable		 3ko0O-4bhdA:
12.38
3ko0P-4bhdA:
12.38
3ko0Q-4bhdA:
12.38
3ko0R-4bhdA:
12.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 5 LEU A  19
ILE A 210
ASP A 179
ASP A 173
SER A  79
 None
 1.41A 3ko0O-4bqnA:
undetectable
3ko0P-4bqnA:
undetectable
3ko0Q-4bqnA:
undetectable
3ko0R-4bqnA:
undetectable		 3ko0O-4bqnA:
17.38
3ko0P-4bqnA:
17.38
3ko0Q-4bqnA:
17.38
3ko0R-4bqnA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dth VGRG PROTEIN

(Vibrio cholerae) 		PF16671
(ACD) 		5 LEU A 347
SER A 349
ILE A  13
CYH A  84
ASP A  87
 None
 1.36A 3ko0O-4dthA:
undetectable
3ko0P-4dthA:
undetectable
3ko0Q-4dthA:
undetectable
3ko0R-4dthA:
undetectable		 3ko0O-4dthA:
13.44
3ko0P-4dthA:
13.44
3ko0Q-4dthA:
13.44
3ko0R-4dthA:
13.44
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 LEU A 727
SER A 729
ASP A 676
PHE A 426
ASP A 421
 None
 1.29A 3ko0O-4ecoA:
undetectable
3ko0P-4ecoA:
undetectable
3ko0Q-4ecoA:
undetectable
3ko0R-4ecoA:
undetectable		 3ko0O-4ecoA:
11.07
3ko0P-4ecoA:
11.07
3ko0Q-4ecoA:
11.07
3ko0R-4ecoA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 LEU A 803
PHE A 331
ILE A 767
CYH A 810
PHE A 812
 None
 1.44A 3ko0O-4f4cA:
undetectable
3ko0P-4f4cA:
undetectable
3ko0Q-4f4cA:
0.6
3ko0R-4f4cA:
undetectable		 3ko0O-4f4cA:
5.53
3ko0P-4f4cA:
5.53
3ko0Q-4f4cA:
5.53
3ko0R-4f4cA:
5.53
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 LEU A 228
SER A 231
ILE A 288
PHE A 252
GLU A 214
 None
 1.18A 3ko0O-4fidA:
undetectable
3ko0P-4fidA:
undetectable
3ko0Q-4fidA:
undetectable
3ko0R-4fidA:
undetectable		 3ko0O-4fidA:
15.16
3ko0P-4fidA:
15.16
3ko0Q-4fidA:
15.16
3ko0R-4fidA:
15.16
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.
4fid G PROTEIN ALPHA
SUBUNIT

(Entamoeba
histolytica) 		PF00503
(G-alpha) 		5 LEU A 228
SER A 231
PHE A 252
GLU A 214
PHE A 208
 None
 1.12A 3ko0O-4fidA:
undetectable
3ko0P-4fidA:
undetectable
3ko0Q-4fidA:
undetectable
3ko0R-4fidA:
undetectable		 3ko0O-4fidA:
15.16
3ko0P-4fidA:
15.16
3ko0Q-4fidA:
15.16
3ko0R-4fidA:
15.16
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.
4hlu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA

(Thermotoga
maritima) 		no annotation 5 LEU D1018
SER D1009
PHE D1010
ILE D1047
PHE D1059
 None
 1.45A 3ko0O-4hluD:
undetectable
3ko0P-4hluD:
undetectable
3ko0Q-4hluD:
undetectable
3ko0R-4hluD:
undetectable		 3ko0O-4hluD:
18.46
3ko0P-4hluD:
18.46
3ko0Q-4hluD:
18.46
3ko0R-4hluD:
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.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 596
ILE A 509
CYH A 512
PHE A 515
ASP A 495
 None
None
None
None
1B2  A 802 (-3.6A)
 1.23A 3ko0O-4hwtA:
1.0
3ko0P-4hwtA:
0.9
3ko0Q-4hwtA:
undetectable
3ko0R-4hwtA:
1.1		 3ko0O-4hwtA:
14.49
3ko0P-4hwtA:
14.49
3ko0Q-4hwtA:
14.49
3ko0R-4hwtA:
14.49
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.
4i5j SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT ALPHA

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 SER A 346
PHE A 343
ILE A 318
CYH A 362
PHE A 360
 None
 1.33A 3ko0O-4i5jA:
2.9
3ko0P-4i5jA:
2.9
3ko0Q-4i5jA:
3.0
3ko0R-4i5jA:
2.9		 3ko0O-4i5jA:
17.96
3ko0P-4i5jA:
17.96
3ko0Q-4i5jA:
17.96
3ko0R-4i5jA:
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.
4jhi MTN13 PROTEIN

(Medicago
truncatula) 		PF00407
(Bet_v_1) 		5 LEU A 152
SER A 150
PHE A 151
ILE A  30
PHE A  38
 None
 1.17A 3ko0O-4jhiA:
undetectable
3ko0P-4jhiA:
undetectable
3ko0Q-4jhiA:
undetectable
3ko0R-4jhiA:
undetectable		 3ko0O-4jhiA:
18.29
3ko0P-4jhiA:
18.29
3ko0Q-4jhiA:
18.29
3ko0R-4jhiA:
18.29
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 LEU A 355
PHE A 451
GLU A 336
ASP A 419
SER A 383
 None
 1.41A 3ko0O-4ktpA:
undetectable
3ko0P-4ktpA:
undetectable
3ko0Q-4ktpA:
undetectable
3ko0R-4ktpA:
undetectable		 3ko0O-4ktpA:
7.74
3ko0P-4ktpA:
7.74
3ko0Q-4ktpA:
7.74
3ko0R-4ktpA:
7.74
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 265
SER A 291
PHE A 295
PHE A 210
SER A 116
 None
 1.49A 3ko0O-4lixA:
0.0
3ko0P-4lixA:
1.0
3ko0Q-4lixA:
1.0
3ko0R-4lixA:
1.1		 3ko0O-4lixA:
9.05
3ko0P-4lixA:
9.05
3ko0Q-4lixA:
9.05
3ko0R-4lixA:
9.05
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.
4mew SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT BETA

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 SER A 383
PHE A 380
ILE A 355
CYH A 399
PHE A 397
 None
 1.29A 3ko0O-4mewA:
2.9
3ko0P-4mewA:
2.9
3ko0Q-4mewA:
3.2
3ko0R-4mewA:
4.6		 3ko0O-4mewA:
12.64
3ko0P-4mewA:
12.64
3ko0Q-4mewA:
12.64
3ko0R-4mewA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 LEU A 188
ILE A 129
PHE A 108
PHE A 151
SER A 225
 None
 1.49A 3ko0O-4mlgA:
undetectable
3ko0P-4mlgA:
undetectable
3ko0Q-4mlgA:
undetectable
3ko0R-4mlgA:
undetectable		 3ko0O-4mlgA:
15.26
3ko0P-4mlgA:
15.26
3ko0Q-4mlgA:
15.26
3ko0R-4mlgA:
15.26
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 SER A 308
ILE A 363
GLU A 362
ASP A 296
SER A 300
 None
 1.40A 3ko0O-4mndA:
undetectable
3ko0P-4mndA:
undetectable
3ko0Q-4mndA:
undetectable
3ko0R-4mndA:
undetectable		 3ko0O-4mndA:
12.84
3ko0P-4mndA:
12.84
3ko0Q-4mndA:
12.84
3ko0R-4mndA:
12.84
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.
4n5a PROTEIN EFR3

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 251
SER A 253
PHE A 255
PHE A 190
ASP A 174
 None
 1.33A 3ko0O-4n5aA:
1.6
3ko0P-4n5aA:
1.6
3ko0Q-4n5aA:
1.7
3ko0R-4n5aA:
1.6		 3ko0O-4n5aA:
11.95
3ko0P-4n5aA:
11.95
3ko0Q-4n5aA:
11.95
3ko0R-4n5aA:
11.95
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.
4o8v ALGINATE
BIOSYNTHESIS PROTEIN
ALGJ

(Pseudomonas
putida) 		PF16822
(ALGX) 		5 LEU A 349
PHE A 344
ILE A 112
PHE A 168
ASP A 171
 None
 1.23A 3ko0O-4o8vA:
undetectable
3ko0P-4o8vA:
undetectable
3ko0Q-4o8vA:
undetectable
3ko0R-4o8vA:
undetectable		 3ko0O-4o8vA:
16.23
3ko0P-4o8vA:
16.23
3ko0Q-4o8vA:
16.23
3ko0R-4o8vA:
16.23
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.
4ouj HEMAGGLUTININ
COMPONENT HA33

(Clostridium
botulinum) 		PF14200
(RicinB_lectin_2) 		5 LEU A 131
ILE A  84
ASP A 123
PHE A 142
SER A 137
 None
 1.39A 3ko0O-4oujA:
undetectable
3ko0P-4oujA:
undetectable
3ko0Q-4oujA:
undetectable
3ko0R-4oujA:
undetectable		 3ko0O-4oujA:
15.31
3ko0P-4oujA:
15.31
3ko0Q-4oujA:
15.31
3ko0R-4oujA:
15.31
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.
4pwy CALMODULIN-LYSINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 LEU A  70
SER A  67
ILE A 292
GLU A 132
PHE A  65
 None
UNX  A 420 ( 3.0A)
None
UNX  A 420 ( 3.3A)
UNX  A 408 ( 4.8A)
 1.16A 3ko0O-4pwyA:
undetectable
3ko0P-4pwyA:
undetectable
3ko0Q-4pwyA:
undetectable
3ko0R-4pwyA:
undetectable		 3ko0O-4pwyA:
18.85
3ko0P-4pwyA:
18.85
3ko0Q-4pwyA:
18.85
3ko0R-4pwyA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A2506
ILE A2526
PHE A2572
GLU A2530
ASP A2537
 None
 1.43A 3ko0O-4rh7A:
undetectable
3ko0P-4rh7A:
undetectable
3ko0Q-4rh7A:
undetectable
3ko0R-4rh7A:
undetectable		 3ko0O-4rh7A:
2.91
3ko0P-4rh7A:
2.91
3ko0Q-4rh7A:
2.91
3ko0R-4rh7A:
2.91
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 LEU A 301
PHE A 300
ILE A 250
PHE A 313
PHE A 293
 None
 1.49A 3ko0O-4txgA:
undetectable
3ko0P-4txgA:
undetectable
3ko0Q-4txgA:
undetectable
3ko0R-4txgA:
undetectable		 3ko0O-4txgA:
8.32
3ko0P-4txgA:
8.32
3ko0Q-4txgA:
8.32
3ko0R-4txgA:
8.32
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 SER A 368
ILE A 413
PHE A 420
ASP A 346
SER A 363
 None
 1.15A 3ko0O-4u3tA:
undetectable
3ko0P-4u3tA:
undetectable
3ko0Q-4u3tA:
undetectable
3ko0R-4u3tA:
undetectable		 3ko0O-4u3tA:
15.76
3ko0P-4u3tA:
15.76
3ko0Q-4u3tA:
15.76
3ko0R-4u3tA:
15.76
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 LEU A 262
SER A 258
GLU A 261
ASP A 473
ASP A 467
 None
 1.48A 3ko0O-4upiA:
undetectable
3ko0P-4upiA:
undetectable
3ko0Q-4upiA:
undetectable
3ko0R-4upiA:
undetectable		 3ko0O-4upiA:
10.66
3ko0P-4upiA:
10.66
3ko0Q-4upiA:
10.66
3ko0R-4upiA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 PHE A 355
ILE A 360
GLU A 356
ASP A 281
ASP A 169
 EDO  A 403 ( 4.8A)
None
None
None
None
 1.33A 3ko0O-4wzzA:
undetectable
3ko0P-4wzzA:
undetectable
3ko0Q-4wzzA:
undetectable
3ko0R-4wzzA:
undetectable		 3ko0O-4wzzA:
13.01
3ko0P-4wzzA:
13.01
3ko0Q-4wzzA:
13.01
3ko0R-4wzzA:
13.01
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 LEU A 735
ILE A  21
PHE A 115
GLU A 724
ASP A 593
 None
 1.27A 3ko0O-5ah5A:
undetectable
3ko0P-5ah5A:
undetectable
3ko0Q-5ah5A:
undetectable
3ko0R-5ah5A:
undetectable		 3ko0O-5ah5A:
7.86
3ko0P-5ah5A:
7.86
3ko0Q-5ah5A:
7.86
3ko0R-5ah5A:
7.86
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 LEU A  26
ILE A  61
GLU A  23
ASP A 417
SER A 403
 None
 1.20A 3ko0O-5cykA:
undetectable
3ko0P-5cykA:
undetectable
3ko0Q-5cykA:
undetectable
3ko0R-5cykA:
undetectable		 3ko0O-5cykA:
10.91
3ko0P-5cykA:
10.91
3ko0Q-5cykA:
10.91
3ko0R-5cykA:
10.91
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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 LEU B 361
SER B 386
CYH B 381
ASP B 376
ASP B 397
 None
 1.26A 3ko0O-5hzgB:
undetectable
3ko0P-5hzgB:
undetectable
3ko0Q-5hzgB:
undetectable
3ko0R-5hzgB:
undetectable		 3ko0O-5hzgB:
8.73
3ko0P-5hzgB:
8.73
3ko0Q-5hzgB:
8.73
3ko0R-5hzgB:
8.73
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 SER A 263
ILE A 328
GLU A 325
ASP A 289
SER A 291
 None
 1.48A 3ko0O-5iojA:
undetectable
3ko0P-5iojA:
undetectable
3ko0Q-5iojA:
undetectable
3ko0R-5iojA:
undetectable		 3ko0O-5iojA:
10.29
3ko0P-5iojA:
10.29
3ko0Q-5iojA:
10.29
3ko0R-5iojA:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 PHE A 572
ASP A 593
PHE A 611
ASP A  57
SER A  56
 None
None
None
None
C8E  A 702 ( 4.9A)
 1.40A 3ko0O-5ivaA:
undetectable
3ko0P-5ivaA:
undetectable
3ko0Q-5ivaA:
undetectable
3ko0R-5ivaA:
undetectable		 3ko0O-5ivaA:
10.61
3ko0P-5ivaA:
10.61
3ko0Q-5ivaA:
10.61
3ko0R-5ivaA:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksh PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 SER A 368
ILE A 413
PHE A 420
ASP A 346
SER A 363
 None
 1.17A 3ko0O-5kshA:
undetectable
3ko0P-5kshA:
undetectable
3ko0Q-5kshA:
undetectable
3ko0R-5kshA:
undetectable		 3ko0O-5kshA:
10.70
3ko0P-5kshA:
10.70
3ko0Q-5kshA:
10.70
3ko0R-5kshA:
10.70
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.
5lnb UBIQUITIN-LIKE-SPECI
FIC PROTEASE 2

(Saccharomyces
cerevisiae) 		PF02902
(Peptidase_C48) 		5 LEU B  91
PHE B 185
ILE B 182
CYH B 130
ASP B  59
 None
 1.39A 3ko0O-5lnbB:
undetectable
3ko0P-5lnbB:
undetectable
3ko0Q-5lnbB:
undetectable
3ko0R-5lnbB:
undetectable		 3ko0O-5lnbB:
16.50
3ko0P-5lnbB:
16.50
3ko0Q-5lnbB:
16.50
3ko0R-5lnbB:
16.50
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.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 LEU A  65
ILE A  94
GLU A 309
ASP A 799
SER A 766
 CZA  A1002 (-4.1A)
None
None
None
None
 1.34A 3ko0O-5mpmA:
1.1
3ko0P-5mpmA:
undetectable
3ko0Q-5mpmA:
undetectable
3ko0R-5mpmA:
undetectable		 3ko0O-5mpmA:
24.47
3ko0P-5mpmA:
24.47
3ko0Q-5mpmA:
24.47
3ko0R-5mpmA:
24.47
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.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 LEU A 132
SER A 172
PHE A 173
GLU A 135
SER A 153
 None
 1.30A 3ko0O-5n6mA:
1.6
3ko0P-5n6mA:
1.6
3ko0Q-5n6mA:
1.7
3ko0R-5n6mA:
1.5		 3ko0O-5n6mA:
10.32
3ko0P-5n6mA:
10.32
3ko0Q-5n6mA:
10.32
3ko0R-5n6mA:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nkm PROTEIN SMG-9

(Caenorhabditis
elegans) 		no annotation 5 LEU D 188
ASP D 208
PHE D 237
ASP D 203
SER D 198
 EDO  D 402 (-3.7A)
None
None
None
None
 1.49A 3ko0O-5nkmD:
undetectable
3ko0P-5nkmD:
undetectable
3ko0Q-5nkmD:
undetectable
3ko0R-5nkmD:
undetectable		 3ko0O-5nkmD:
16.83
3ko0P-5nkmD:
16.83
3ko0Q-5nkmD:
16.83
3ko0R-5nkmD:
16.83
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.
5uxv SENSORY TRANSDUCTION
REGULATORY PROTEIN

(Bartonella
quintana) 		no annotation 5 LEU A 127
PHE A  99
ILE A 102
ASP A  65
SER A  89
 None
 0.99A 3ko0O-5uxvA:
undetectable
3ko0P-5uxvA:
undetectable
3ko0Q-5uxvA:
undetectable
3ko0R-5uxvA:
undetectable		 3ko0O-5uxvA:
17.59
3ko0P-5uxvA:
17.59
3ko0Q-5uxvA:
17.59
3ko0R-5uxvA:
17.59
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.
5y5a KLLA0F20702P

(Kluyveromyces
lactis) 		no annotation 5 LEU A 521
PHE A 524
ILE A 367
PHE A 239
ASP A 226
 None
 1.40A 3ko0O-5y5aA:
undetectable
3ko0P-5y5aA:
undetectable
3ko0Q-5y5aA:
undetectable
3ko0R-5y5aA:
undetectable		 3ko0O-5y5aA:
19.80
3ko0P-5y5aA:
19.80
3ko0Q-5y5aA:
19.80
3ko0R-5y5aA:
19.80
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5
GATOR COMPLEX
PROTEIN NPRL2

(Homo sapiens) 		no annotation 5 SER D 301
PHE D 343
GLU D 344
ASP D 395
SER N 187
 None
 1.36A 3ko0O-6cetD:
undetectable
3ko0P-6cetD:
undetectable
3ko0Q-6cetD:
undetectable
3ko0R-6cetD:
undetectable		 3ko0O-6cetD:
19.61
3ko0P-6cetD:
19.61
3ko0Q-6cetD:
19.61
3ko0R-6cetD:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 LEU B 331
ILE B 335
PHE B 289
PHE B 296
SER B 241
 None
 1.37A 3ko0O-6d6uB:
undetectable
3ko0P-6d6uB:
undetectable
3ko0Q-6d6uB:
1.9
3ko0R-6d6uB:
undetectable		 3ko0O-6d6uB:
20.39
3ko0P-6d6uB:
20.39
3ko0Q-6d6uB:
20.39
3ko0R-6d6uB:
20.39
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo sapiens) 		no annotation 5 LEU E 167
PHE E 113
ILE E 147
ASP A  48
SER A  46
 None
 1.17A 3ko0O-6d6uE:
undetectable
3ko0P-6d6uE:
undetectable
3ko0Q-6d6uE:
undetectable
3ko0R-6d6uE:
undetectable		 3ko0O-6d6uE:
21.15
3ko0P-6d6uE:
21.15
3ko0Q-6d6uE:
21.15
3ko0R-6d6uE:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 5 LEU B 102
PHE B 103
ILE B 262
PHE B 254
ASP B 112
 None
 1.02A 3ko0O-6evjB:
undetectable
3ko0P-6evjB:
undetectable
3ko0Q-6evjB:
undetectable
3ko0R-6evjB:
undetectable		 3ko0O-6evjB:
17.92
3ko0P-6evjB:
17.92
3ko0Q-6evjB:
17.92
3ko0R-6evjB:
17.92