SIMILAR PATTERNS OF AMINO ACIDS FOR 3ADS_A_IMNA2

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.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		5 PHE A 403
SER A 271
HIS A 263
PHE A 406
TYR A 294
 None
None
None
CDU  A1100 (-4.6A)
None
 1.32A 3adsA-1ek2A:
0.0		 3adsA-1ek2A:
21.01
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.
1gnz GSI-B4 ISOLECTIN

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		5 LEU A 226
LEU A 108
PHE A 129
LEU A 188
TYR A 190
 None
 1.45A 3adsA-1gnzA:
undetectable		 3adsA-1gnzA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jeq KU70

(Homo sapiens) 		PF02037
(SAP)
PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		5 LEU A 437
LEU A 353
PHE A 350
LEU A 347
LEU A 345
 None
 1.30A 3adsA-1jeqA:
0.0		 3adsA-1jeqA:
20.03
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  34
LEU A  85
PHE A 145
HIS A 142
LEU A 101
 None
 1.44A 3adsA-1q1nA:
0.0		 3adsA-1q1nA:
21.86
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.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 PHE A 127
HIS A 149
LEU A 159
LEU A  29
TYR A  33
 None
 1.25A 3adsA-1qe0A:
0.0		 3adsA-1qe0A:
23.56
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.
1qe0 HISTIDINE--TRNA
LIGASE

(Staphylococcus
aureus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 PHE A 127
HIS A 149
LEU A 159
PHE A 306
TYR A  33
 None
 1.39A 3adsA-1qe0A:
0.0		 3adsA-1qe0A:
23.56
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.
1rro RAT ONCOMODULIN

(Rattus rattus) 		PF13499
(EF-hand_7) 		5 PHE A  30
LEU A  15
PHE A  24
LEU A  85
LEU A  58
 None
 1.25A 3adsA-1rroA:
undetectable		 3adsA-1rroA:
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.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 LEU A 131
LEU A  97
PHE A 191
LEU A 260
LEU A 279
 None
 1.38A 3adsA-1v0bA:
undetectable		 3adsA-1v0bA:
21.34
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.
1y0g PROTEIN YCEI

(Escherichia
coli) 		PF04264
(YceI) 		5 PHE A  96
LEU A 181
LEU A 127
LEU A 172
LEU A  48
 8PP  A 320 (-4.5A)
None
None
8PP  A 320 (-4.0A)
8PP  A 320 (-4.3A)
 1.36A 3adsA-1y0gA:
undetectable		 3adsA-1y0gA:
22.03
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.
1ya0 SMG-7 TRANSCRIPT
VARIANT 2

(Homo sapiens) 		PF10373
(EST1_DNA_bind)
PF10374
(EST1) 		5 LEU A 203
PHE A 256
HIS A 257
LEU A 331
LEU A 302
 None
 1.23A 3adsA-1ya0A:
0.0		 3adsA-1ya0A:
22.47
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.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 LEU A  32
LEU A  74
PHE A 272
LEU A 172
LEU A 130
 None
 1.39A 3adsA-1yqqA:
undetectable		 3adsA-1yqqA:
23.36
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.
2ass S-PHASE
KINASE-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		PF12937
(F-box-like) 		5 CYH B2165
SER B2168
LEU B2147
LEU B2156
LEU B2216
 None
 1.27A 3adsA-2assB:
undetectable		 3adsA-2assB:
23.28
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.
2fn9 RIBOSE ABC
TRANSPORTER,
PERIPLASMIC
RIBOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13407
(Peripla_BP_4) 		5 PHE A 220
LEU A 185
LEU A 136
LEU A 121
TYR A 125
 None
 1.21A 3adsA-2fn9A:
undetectable		 3adsA-2fn9A:
21.70
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.
2iag PROSTACYCLIN
SYNTHASE

(Homo sapiens) 		PF00067
(p450) 		5 HIS A 461
LEU A 313
LEU A 295
PHE A 454
LEU A 148
 None
 1.40A 3adsA-2iagA:
undetectable		 3adsA-2iagA:
19.02
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.
2iag PROSTACYCLIN
SYNTHASE

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 167
HIS A 461
LEU A 313
LEU A 295
LEU A 148
 None
 1.49A 3adsA-2iagA:
undetectable		 3adsA-2iagA:
19.02
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.
2jm1 TRANSCRIPTIONAL
REGULATOR ATRX

(Homo sapiens) 		no annotation 5 PHE A 239
CYH A 243
HIS A 189
LEU A 192
LEU A 276
 None
ZN  A   2 (-2.3A)
None
None
None
 1.44A 3adsA-2jm1A:
undetectable		 3adsA-2jm1A:
19.40
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 CYH A1316
HIS A1350
LEU A1285
HIS A1313
TYR A1262
 None
 1.48A 3adsA-2nlkA:
undetectable		 3adsA-2nlkA:
19.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 PHE A 273
CYH A 276
LEU A 321
LEU A 344
LYS A 358
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 ( 4.3A)
735  A 469 ( 4.2A)
None
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.87A 3adsA-2p54A:
37.1		 3adsA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 PHE A 273
SER A 280
LEU A 321
LEU A 344
LYS A 358
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 ( 4.2A)
None
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.64A 3adsA-2p54A:
37.1		 3adsA-2p54A:
61.94
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.
2pzx G-PROTEIN COUPLED
RECEPTOR MTH

(Drosophila
melanogaster) 		PF06652
(Methuselah_N) 		5 PHE A 144
LEU A 132
LEU A 158
PHE A 150
HIS A 152
 None
 1.42A 3adsA-2pzxA:
undetectable		 3adsA-2pzxA:
22.42
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.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 PHE A 352
LEU A 222
PHE A 235
LEU A 322
LEU A  37
 None
 1.49A 3adsA-2v95A:
undetectable		 3adsA-2v95A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A 222
HIS A 144
LEU A 112
LEU A 206
TYR A  74
 None
 1.42A 3adsA-2w2jA:
undetectable		 3adsA-2w2jA:
24.42
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.
2x6k PHOSPHOTIDYLINOSITOL
3 KINASE 59F

(Drosophila
melanogaster) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka) 		5 LEU A 871
LEU A 729
LEU A 396
LEU A 881
TYR A 397
 None
 1.39A 3adsA-2x6kA:
undetectable		 3adsA-2x6kA:
18.65
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.
2ycm 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE
, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01128
(IspD) 		5 SER A 112
HIS A 178
LEU A 184
LEU A 291
LEU A  83
 None
 1.36A 3adsA-2ycmA:
undetectable		 3adsA-2ycmA:
23.15
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.
2yhm NUCLEOPROTEIN

(Human
orthopneumovirus) 		PF03246
(Pneumo_ncap) 		5 PHE A 111
SER A 131
HIS A 151
LEU A  51
LEU A 119
 None
 1.50A 3adsA-2yhmA:
undetectable		 3adsA-2yhmA:
23.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 CYH A 285
HIS A 323
LEU A 330
LEU A 353
LYS A 367
HIS A 449
LEU A 453
LEU A 469
TYR A 473
 MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-4.7A)
None
MC5  A   1 (-3.9A)
MC5  A   1 (-4.2A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.62A 3adsA-3b0qA:
42.0		 3adsA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 CYH A 285
LEU A 356
HIS A 449
LEU A 453
LEU A 469
TYR A 473
 MC5  A   1 (-3.6A)
None
MC5  A   1 (-3.9A)
MC5  A   1 (-4.2A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 1.32A 3adsA-3b0qA:
42.0		 3adsA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 282
CYH A 285
HIS A 323
LEU A 469
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 1.13A 3adsA-3b0qA:
42.0		 3adsA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 282
SER A 289
HIS A 323
LEU A 469
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.87A 3adsA-3b0qA:
42.0		 3adsA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 SER A 289
HIS A 323
LEU A 330
LEU A 353
LYS A 367
HIS A 449
LEU A 453
LEU A 469
TYR A 473
 MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-4.7A)
None
MC5  A   1 (-3.9A)
MC5  A   1 (-4.2A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.59A 3adsA-3b0qA:
42.0		 3adsA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 PHE A 282
CYH A 285
HIS A 323
LEU A 330
LEU A 353
LYS A 367
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
None
None
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.85A 3adsA-3d5fA:
36.3		 3adsA-3d5fA:
62.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		8 CYH D 285
SER D 289
LEU D 330
LEU D 353
PHE D 363
HIS D 449
LEU D 469
TYR D 473
 PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
None
None
None
None
None
 0.85A 3adsA-3dzuD:
37.2		 3adsA-3dzuD:
94.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 PHE D 282
CYH D 285
SER D 289
LEU D 353
PHE D 363
HIS D 449
LEU D 469
 None
PLB  D 701 (-3.2A)
PLB  D 701 ( 3.9A)
None
None
None
None
 1.00A 3adsA-3dzuD:
37.2		 3adsA-3dzuD:
94.41
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 101
HIS A 230
LEU A  69
LEU A 206
TYR A 226
 None
 1.40A 3adsA-3etcA:
undetectable		 3adsA-3etcA:
20.68
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.
3hhs PHENOLOXIDASE
SUBUNIT 2

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 LEU A 357
PHE A 224
LEU A  87
LEU A 220
TYR A 132
 None
 1.49A 3adsA-3hhsA:
undetectable		 3adsA-3hhsA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 CYH A 248
SER A 256
LEU A 214
LEU A 148
PHE A 141
 None
 1.34A 3adsA-3i4xA:
undetectable		 3adsA-3i4xA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8p PROTEIN TRANSPORT
PROTEIN SEC39

(Saccharomyces
cerevisiae) 		PF08314
(Sec39) 		5 PHE D 367
LEU D 411
LEU D 377
LEU D 385
TYR D 381
 None
 1.49A 3adsA-3k8pD:
undetectable		 3adsA-3k8pD:
19.33
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 PHE A 428
SER A 155
HIS A 152
LEU A  70
TYR A  66
 None
 1.47A 3adsA-3lewA:
undetectable		 3adsA-3lewA:
22.13
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.
3qpi CHLORITE DISMUTASE

(Nitrobacter
winogradskyi) 		PF06778
(Chlor_dismutase) 		5 PHE A 155
SER A 118
HIS A 114
LEU A  70
LEU A 162
 None
HEM  A1001 (-4.1A)
HEM  A1001 (-3.3A)
HEM  A1001 (-4.9A)
HEM  A1001 (-4.9A)
 1.41A 3adsA-3qpiA:
undetectable		 3adsA-3qpiA:
19.86
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.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		5 PHE A  86
LEU A 144
LEU A  29
LEU A  49
TYR A  30
 None
 1.31A 3adsA-3qz3A:
undetectable		 3adsA-3qz3A:
19.79
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.
3sr7 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Streptococcus
mutans) 		PF01070
(FMN_dh) 		5 PHE A  53
LEU A 248
LEU A 263
PHE A  55
LEU A 112
 None
 1.36A 3adsA-3sr7A:
undetectable		 3adsA-3sr7A:
25.27
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.
3v7n THREONINE SYNTHASE

(Burkholderia
thailandensis) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 PHE A 304
LEU A  31
PHE A 337
LEU A 341
LEU A 352
 None
 1.43A 3adsA-3v7nA:
undetectable		 3adsA-3v7nA:
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 HIS A2270
LEU A2266
PHE A2395
LEU A2367
LEU A2387
 None
 1.35A 3adsA-3vkgA:
undetectable		 3adsA-3vkgA:
6.84
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.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 CYH A 232
LEU A 201
LEU A 105
LEU A 244
TYR A 254
 None
 1.44A 3adsA-3vueA:
undetectable		 3adsA-3vueA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		5 LEU A 214
PHE A 220
HIS A  63
LEU A 257
TYR A 261
 None
 1.45A 3adsA-3wvoA:
undetectable		 3adsA-3wvoA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dnx SULFATE
ADENYLYLTRANSFERASE

(Allochromatium
vinosum) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 PHE A 267
LEU A  10
PHE A 283
LEU A 279
LEU A  83
 None
 1.47A 3adsA-4dnxA:
undetectable		 3adsA-4dnxA:
22.06
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.
4doo CHALCONE-FLAVANONE
ISOMERASE FAMILY
PROTEIN

(Arabidopsis
thaliana) 		PF16035
(Chalcone_2) 		5 PHE A 130
SER A 110
LEU A 148
LEU A 180
TYR A 181
 None
DAO  A 301 (-2.8A)
None
None
None
 1.39A 3adsA-4dooA:
undetectable		 3adsA-4dooA:
21.80
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.
4exl PHOSPHATE-BINDING
PROTEIN PSTS 1

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 SER A  68
LEU A 110
HIS A 236
LEU A  72
TYR A 238
 None
 1.48A 3adsA-4exlA:
undetectable		 3adsA-4exlA:
21.58
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.
4f3n UNCHARACTERIZED ACR,
COG1565 SUPERFAMILY

(Burkholderia
thailandensis) 		PF02636
(Methyltransf_28) 		5 LEU A 267
LEU A 336
LEU A 133
LEU A 144
TYR A 147
 None
 1.39A 3adsA-4f3nA:
undetectable		 3adsA-4f3nA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gox POLYKETIDE SYNTHASE

(Synechococcus
sp. PCC 7002) 		PF13469
(Sulfotransfer_3) 		5 LEU A 173
PHE A 269
LEU A  44
LEU A 279
TYR A 218
 None
A3P  A 401 (-4.7A)
A3P  A 401 (-3.8A)
A3P  A 401 (-3.9A)
A3P  A 401 (-4.8A)
 1.49A 3adsA-4goxA:
undetectable		 3adsA-4goxA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imi SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		5 LEU A 276
LEU A 319
PHE A 269
HIS A 234
LEU A 251
 None
 1.38A 3adsA-4imiA:
undetectable		 3adsA-4imiA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 LEU A 494
PHE A 492
HIS A 488
LEU A 601
TYR A 602
 None
 1.36A 3adsA-4ktpA:
undetectable		 3adsA-4ktpA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n02 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Streptococcus
pneumoniae) 		PF01070
(FMN_dh) 		5 PHE A  54
LEU A 249
LEU A 264
PHE A  56
LEU A 113
 SO4  A 401 (-4.6A)
None
None
None
None
 1.35A 3adsA-4n02A:
undetectable		 3adsA-4n02A:
23.92
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		5 LEU A 471
LEU A 505
LEU A 487
LEU A 596
TYR A 592
 None
 1.31A 3adsA-4onqA:
undetectable		 3adsA-4onqA:
21.87
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.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 PHE Y 135
LEU Y 110
LEU Y 128
LEU Y 172
TYR Y 168
 None
SFG  Y 301 (-4.0A)
None
None
None
 1.22A 3adsA-4ox9Y:
undetectable		 3adsA-4ox9Y:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pju COHESIN SUBUNIT SA-2

(Homo sapiens) 		PF08514
(STAG) 		5 LEU A 589
LEU A 657
LEU A 609
LEU A 597
TYR A 600
 None
 1.39A 3adsA-4pjuA:
undetectable		 3adsA-4pjuA:
14.92
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.
4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24

(Actinoplanes
teichomyceticus) 		no annotation 5 HIS A  79
LEU A  35
LEU A  45
PHE A 115
LEU A 169
 None
 1.47A 3adsA-4q38A:
undetectable		 3adsA-4q38A:
21.14
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.
4r81 NADH DEHYDROGENASE

(Methanothermobacter
marburgensis) 		PF02525
(Flavodoxin_2) 		5 PHE A 101
LEU A  65
LEU A  48
LEU A   6
TYR A   4
 None
 1.23A 3adsA-4r81A:
undetectable		 3adsA-4r81A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzl RESTRICTION
ENDONUCLEASE LPNPI

(Legionella
pneumophila) 		no annotation 5 LEU A 107
LEU A  60
PHE A 125
LEU A 203
TYR A 207
 None
None
None
None
1PE  A 301 (-3.6A)
 1.50A 3adsA-4rzlA:
undetectable		 3adsA-4rzlA:
22.30
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.
4txa ROQUIN-1

(Mus musculus) 		PF13445
(zf-RING_UBOX) 		5 HIS A 389
LEU A 337
LEU A 129
LEU A 106
TYR A 109
 None
 1.25A 3adsA-4txaA:
undetectable		 3adsA-4txaA:
21.28
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.
4txa ROQUIN-1

(Mus musculus) 		PF13445
(zf-RING_UBOX) 		5 HIS A 389
LEU A 353
LEU A 129
LEU A 106
TYR A 109
 None
 1.22A 3adsA-4txaA:
undetectable		 3adsA-4txaA:
21.28
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.
4ueg GLYCOGENIN-2

(Homo sapiens) 		PF01501
(Glyco_transf_8) 		5 LEU A  94
LEU A  11
HIS A 148
LEU A 152
TYR A  71
 None
 1.29A 3adsA-4uegA:
undetectable		 3adsA-4uegA:
20.77
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.
4uwm 3,6-DIKETOCAMPHANE
1,6 MONOOXYGENASE

(Pseudomonas
putida) 		PF00296
(Bac_luciferase) 		5 PHE A 319
SER A 256
HIS A  10
LEU A 285
TYR A  12
 PGE  A 404 (-4.6A)
PGE  A 404 ( 4.1A)
FMN  A 400 (-3.7A)
None
PGE  A 404 (-4.5A)
 1.46A 3adsA-4uwmA:
undetectable		 3adsA-4uwmA:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5icl LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 PHE A 145
HIS A  77
LEU A  82
LEU A  32
LEU A  15
 None
LAQ  A 401 (-4.5A)
None
None
None
 1.16A 3adsA-5iclA:
undetectable		 3adsA-5iclA:
22.71
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.
5igu MACROLIDE
2'-PHOSPHOTRANSFERAS
E II

(Escherichia
coli) 		PF01636
(APH) 		5 LEU A 269
PHE A 232
HIS A 135
LEU A 131
LEU A 217
 None
 1.46A 3adsA-5iguA:
undetectable		 3adsA-5iguA:
21.39
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.
5iso 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		5 LEU A 147
LEU A 207
HIS A  75
LEU A 276
TYR A 275
 None
 1.45A 3adsA-5isoA:
undetectable		 3adsA-5isoA:
19.96
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.
5it9 RIBOSOMAL PROTEIN
RACK1

(Kluyveromyces
lactis) 		PF01092
(Ribosomal_S6e) 		5 SER g  36
LEU g  14
LEU g  95
LEU g  43
TYR g  62
 None
 1.46A 3adsA-5it9g:
undetectable		 3adsA-5it9g:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jmd HEPARINASE III
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 PHE A 210
LEU A 203
PHE A 262
LEU A  59
TYR A  62
 None
 1.33A 3adsA-5jmdA:
undetectable		 3adsA-5jmdA:
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 PHE A 174
LEU A 199
HIS A 214
LEU A 204
TYR A 276
 None
 1.45A 3adsA-5k3jA:
undetectable		 3adsA-5k3jA:
20.03
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 PHE A 171
LEU A 177
LEU A  36
LEU A  87
TYR A  91
 None
 1.47A 3adsA-5k6oA:
undetectable		 3adsA-5k6oA:
15.80
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.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		5 PHE A 102
LEU A 177
PHE A  72
LEU A 484
LEU A  58
 None
 1.47A 3adsA-5u8zA:
undetectable		 3adsA-5u8zA:
20.56
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		5 PHE A 258
CYH A 260
LEU A 210
LEU A 272
LEU A 103
 None
 1.28A 3adsA-5uc7A:
undetectable		 3adsA-5uc7A:
21.85
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.
5ufl PROTEIN CIP2A

(Homo sapiens) 		no annotation 5 PHE A 189
SER A 214
LEU A 257
LEU A 197
LEU A 166
 None
 1.26A 3adsA-5uflA:
undetectable		 3adsA-5uflA:
20.42
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 5 PHE A  72
LEU A 148
PHE A  42
LEU A 448
LEU A  28
 None
 1.44A 3adsA-5v2dA:
undetectable		 3adsA-5v2dA:
13.84
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.
5xpz FERMITIN FAMILY
HOMOLOG 2

(Mus musculus) 		PF00373
(FERM_M) 		5 CYH A 127
HIS A 134
LEU A 140
PHE A 120
LEU A 667
 None
 1.33A 3adsA-5xpzA:
undetectable		 3adsA-5xpzA:
19.74
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.
1an7 RIBOSOMAL PROTEIN S8

(Thermus
thermophilus) 		PF00410
(Ribosomal_S8) 		4 ILE A  83
TYR A  20
LEU A  39
PHE A  44
 None
 0.90A 3adsA-1an7A:
0.0		 3adsA-1an7A:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1axn ANNEXIN III

(Homo sapiens) 		PF00191
(Annexin) 		4 ILE A  28
ILE A 314
LEU A  69
MET A  85
 None
 0.87A 3adsA-1axnA:
undetectable		 3adsA-1axnA:
23.05
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.
1c7k ZINC ENDOPROTEASE

(Streptomyces
caespitosus) 		PF02031
(Peptidase_M7) 		4 ILE A  65
TYR A  95
LEU A  67
PHE A  66
 None
 1.12A 3adsA-1c7kA:
undetectable		 3adsA-1c7kA:
14.73
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.
1f3l PROTEIN ARGININE
METHYLTRANSFERASE
PRMT3

(Rattus
norvegicus) 		PF06325
(PrmA) 		4 ILE A 416
ILE A 359
TYR A 455
LEU A 364
 None
 0.89A 3adsA-1f3lA:
0.0		 3adsA-1f3lA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ILE A  26
ILE A 261
TYR A 263
LEU A  31
 None
 1.13A 3adsA-1hkwA:
0.0		 3adsA-1hkwA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lqw PEPTIDE DEFORMYLASE
PDF1

(Staphylococcus
aureus) 		PF01327
(Pep_deformylase) 		4 ILE A  66
ILE A 156
LEU A   2
PHE A  40
 None
 1.19A 3adsA-1lqwA:
undetectable		 3adsA-1lqwA:
23.10
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.
1ls4 APOLIPOPHORIN-III

(Locusta
migratoria) 		no annotation 4 ILE A 118
ILE A  21
LEU A  77
PHE A  80
 None
 0.77A 3adsA-1ls4A:
undetectable		 3adsA-1ls4A:
21.80
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ILE A  30
ILE A 327
LEU A  47
MET A  13
 None
 0.99A 3adsA-1mwoA:
0.0		 3adsA-1mwoA:
20.59
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 ILE X 280
ILE X 358
TYR X 381
LEU X 296
 None
 1.17A 3adsA-1ogoX:
0.0		 3adsA-1ogoX:
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ILE A 296
ILE A 185
LEU A 286
MET A 262
 None
 1.16A 3adsA-1q1nA:
0.0		 3adsA-1q1nA:
21.86
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 ILE A 605
ILE A 473
LEU A 638
PHE A 580
 None
 0.96A 3adsA-1qafA:
undetectable		 3adsA-1qafA:
17.87
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.
1rif DNA HELICASE UVSW

(Escherichia
virus T4) 		PF04851
(ResIII) 		4 ILE A 144
ILE A 188
LEU A 133
MET A 230
 None
 1.00A 3adsA-1rifA:
undetectable		 3adsA-1rifA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ILE A  50
TYR A  45
LEU A 268
PHE A 265
 None
 1.17A 3adsA-1uaaA:
undetectable		 3adsA-1uaaA:
18.35
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.
2ga8 HYPOTHETICAL 39.9
KDA PROTEIN

(Saccharomyces
cerevisiae) 		PF07728
(AAA_5) 		4 ILE A 350
ILE A 342
TYR A 281
LEU A   7
 None
 1.14A 3adsA-2ga8A:
undetectable		 3adsA-2ga8A:
23.91
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 ILE A 163
ILE A  10
TYR A  14
LEU A 161
 None
 0.98A 3adsA-2gkoA:
undetectable		 3adsA-2gkoA:
20.94
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.
2gmy HYPOTHETICAL PROTEIN
ATU0492

(Agrobacterium
fabrum) 		PF02627
(CMD) 		4 ILE A 123
ILE A  45
LEU A  30
PHE A  34
 None
 0.90A 3adsA-2gmyA:
undetectable		 3adsA-2gmyA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ILE A 394
ILE A 410
TYR A 409
PHE A 399
 None
 1.16A 3adsA-2hpiA:
undetectable		 3adsA-2hpiA:
13.93
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.
2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3

(Escherichia
coli) 		PF00696
(AA_kinase)
PF01842
(ACT) 		4 ILE A 180
ILE A  44
LEU A 130
MET A  20
 None
 1.17A 3adsA-2j0wA:
undetectable		 3adsA-2j0wA:
21.68
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ILE A 158
LEU A 210
PHE A 213
MET A 192
 None
 0.64A 3adsA-2nadA:
undetectable		 3adsA-2nadA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ILE A 393
ILE A 385
LEU A 449
MET A 243
 None
 1.10A 3adsA-2nlxA:
undetectable		 3adsA-2nlxA:
21.29
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.
2nrj HBL B PROTEIN

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		4 ILE A 259
ILE A 270
LEU A  43
MET A  36
 None
 0.95A 3adsA-2nrjA:
undetectable		 3adsA-2nrjA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oca ATP-DEPENDENT DNA
HELICASE UVSW

(Escherichia
virus T4) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		4 ILE A 144
ILE A 188
LEU A 133
MET A 230
 None
 0.98A 3adsA-2ocaA:
undetectable		 3adsA-2ocaA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 272
ILE A 317
LEU A 347
PHE A 351
MET A 355
 735  A 469 ( 4.2A)
735  A 469 ( 4.8A)
None
None
735  A 469 (-2.9A)
 0.38A 3adsA-2p54A:
37.1		 3adsA-2p54A:
61.94
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.
2q0t PUTATIVE
GAMMA-CARBOXYMUCONOL
ACTONE DECARBOXYLASE
SUBUNIT

(Paraburkholderia
xenovorans) 		PF02627
(CMD) 		4 ILE A  63
ILE A 236
TYR A  42
LEU A  55
 None
 0.92A 3adsA-2q0tA:
undetectable		 3adsA-2q0tA:
24.76
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.
2q88 PUTATIVE ABC
TRANSPORTER AMINO
ACID-BINDING PROTEIN

(Sinorhizobium
meliloti) 		PF00497
(SBP_bac_3) 		4 ILE A 233
ILE A  18
LEU A 224
PHE A 230
 None
 1.15A 3adsA-2q88A:
undetectable		 3adsA-2q88A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 ILE A 325
LEU A  64
PHE A 202
MET A  61
 None
 1.13A 3adsA-2qp2A:
undetectable		 3adsA-2qp2A:
22.72
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.
2qsr TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Streptococcus
pneumoniae) 		PF03461
(TRCF) 		4 ILE A1073
ILE A1027
TYR A1026
LEU A1147
 None
 0.74A 3adsA-2qsrA:
undetectable		 3adsA-2qsrA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF00620
(RhoGAP) 		4 ILE A 301
ILE A 244
LEU A 288
MET A 281
 ILE  A 301 ( 0.7A)
ILE  A 244 ( 0.7A)
LEU  A 288 ( 0.6A)
MET  A 281 ( 0.0A)
 1.01A 3adsA-2qv2A:
undetectable		 3adsA-2qv2A:
23.22
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.
2qwu INTRACELLULAR GROWTH
LOCUS, SUBUNIT C

(Francisella
tularensis) 		PF11550
(IglC) 		4 ILE A  89
ILE A   7
LEU A  91
MET A  36
 None
 1.05A 3adsA-2qwuA:
undetectable		 3adsA-2qwuA:
21.40
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.
2uwb CELLULASE

(Tropaeolum
majus) 		PF00722
(Glyco_hydro_16)
PF06955
(XET_C) 		4 ILE A  95
ILE A  66
TYR A 205
LEU A 173
 None
 1.03A 3adsA-2uwbA:
undetectable		 3adsA-2uwbA:
20.27
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.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		4 ILE A  79
ILE A 274
LEU A 300
PHE A 303
 None
 1.06A 3adsA-2vpnA:
undetectable		 3adsA-2vpnA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxk GLUCOSAMINE
6-PHOSPHATE
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		PF00583
(Acetyltransf_1) 		4 ILE A 147
ILE A 106
TYR A  62
LEU A 164
 None
None
None
16G  A1191 ( 3.9A)
 1.04A 3adsA-2vxkA:
undetectable		 3adsA-2vxkA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w5s PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE

(Staphylococcus
aureus) 		PF00884
(Sulfatase) 		4 ILE A 252
ILE A 365
TYR A 360
LEU A 254
 None
 1.17A 3adsA-2w5sA:
undetectable		 3adsA-2w5sA:
20.61
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		4 ILE A 169
LEU A 199
PHE A 168
MET A 122
 None
 0.91A 3adsA-2yg6A:
undetectable		 3adsA-2yg6A:
19.39
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ILE A 193
ILE A 232
LEU A 114
PHE A 113
 None
 1.09A 3adsA-2yijA:
undetectable		 3adsA-2yijA:
23.40
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.
2yxb COENZYME
B12-DEPENDENT MUTASE

(Aeropyrum
pernix) 		PF02310
(B12-binding) 		4 ILE A  75
ILE A 111
LEU A  95
MET A  88
 None
 0.85A 3adsA-2yxbA:
undetectable		 3adsA-2yxbA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		4 ILE A 272
LEU A  50
PHE A  54
MET A  42
 None
 0.99A 3adsA-2yzwA:
undetectable		 3adsA-2yzwA:
21.38
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.
3a64 CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		4 ILE A 191
ILE A 129
TYR A 125
LEU A 152
 None
 0.90A 3adsA-3a64A:
undetectable		 3adsA-3a64A:
18.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ILE A 281
ILE A 326
TYR A 327
LEU A 356
PHE A 360
MET A 364
 MC5  A   1 ( 4.8A)
MC5  A   1 ( 4.9A)
None
None
None
MC5  A   1 (-3.7A)
 0.37A 3adsA-3b0qA:
42.0		 3adsA-3b0qA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 ILE A 355
ILE A  16
LEU A 130
MET A  59
 None
 0.93A 3adsA-3be7A:
undetectable		 3adsA-3be7A:
21.96
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.
3d1l PUTATIVE NADP
OXIDOREDUCTASE
BF3122

(Bacteroides
fragilis) 		PF03807
(F420_oxidored)
PF10728
(DUF2520) 		4 ILE A  13
ILE A 152
LEU A  73
PHE A  78
 None
 1.08A 3adsA-3d1lA:
undetectable		 3adsA-3d1lA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE A1108
ILE A1065
LEU A1196
PHE A1109
 None
ADP  A   1 (-4.0A)
None
None
 1.14A 3adsA-3dlsA:
undetectable		 3adsA-3dlsA:
20.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ILE D 281
ILE D 326
LEU D 356
PHE D 360
MET D 364
 PLB  D 701 (-4.6A)
PLB  D 701 ( 4.5A)
None
None
PLB  D 701 ( 4.8A)
 0.54A 3adsA-3dzuD:
37.2		 3adsA-3dzuD:
94.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 ILE D 326
TYR D 327
LEU D 356
PHE D 360
MET D 364
 PLB  D 701 ( 4.5A)
None
None
None
PLB  D 701 ( 4.8A)
 0.62A 3adsA-3dzuD:
37.2		 3adsA-3dzuD:
94.41
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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		4 ILE A 281
ILE A 214
TYR A 210
LEU A 283
 None
 0.72A 3adsA-3ianA:
undetectable		 3adsA-3ianA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ilr HEPARIN LYASE I

(Bacteroides
thetaiotaomicron) 		PF14099
(Polysacc_lyase) 		4 ILE A 240
ILE A 135
TYR A 368
LEU A 229
 None
 1.12A 3adsA-3ilrA:
undetectable		 3adsA-3ilrA:
20.42
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		4 ILE A 484
ILE A 496
LEU A 455
MET A 508
 None
 1.16A 3adsA-3k7dA:
undetectable		 3adsA-3k7dA:
21.56
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		4 ILE A 232
ILE A 310
PHE A 233
MET A 320
 None
 1.16A 3adsA-3omnA:
undetectable		 3adsA-3omnA:
18.03
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.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 284
ILE A 309
TYR A 344
LEU A 130
 None
 1.11A 3adsA-3ozyA:
undetectable		 3adsA-3ozyA:
20.54
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.
3qw3 OROTIDINE-5-PHOSPHAT
E
DECARBOXYLASE/OROTAT
E
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE
(OMPDCASE-OPRTASE,
PUTATIVE)

(Leishmania
infantum) 		PF00215
(OMPdecase) 		4 ILE A 248
ILE A  77
TYR A  48
LEU A 208
 None
 1.05A 3adsA-3qw3A:
undetectable		 3adsA-3qw3A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qw4 UMP SYNTHASE

(Leishmania
donovani) 		PF00156
(Pribosyltran)
PF00215
(OMPdecase) 		4 ILE B 248
ILE B  77
TYR B  48
LEU B 208
 None
 1.03A 3adsA-3qw4B:
undetectable		 3adsA-3qw4B:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 ILE A  71
ILE A 111
TYR A  88
LEU A   9
 None
 1.10A 3adsA-3rkxA:
undetectable		 3adsA-3rkxA:
25.21
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.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		4 ILE A  35
ILE A  65
TYR A 172
LEU A  31
 None
 1.16A 3adsA-3s5uA:
undetectable		 3adsA-3s5uA:
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 ILE A 742
ILE A 752
LEU A 734
MET A 326
 None
 1.17A 3adsA-3tlmA:
undetectable		 3adsA-3tlmA:
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.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		4 ILE A 201
LEU A  20
PHE A 186
MET A  26
 None
 1.14A 3adsA-3vz0A:
undetectable		 3adsA-3vz0A:
23.06
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.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		4 ILE A  84
ILE A  65
TYR A  93
LEU A 183
 None
 1.07A 3adsA-3wwpA:
undetectable		 3adsA-3wwpA:
22.87
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ILE A 919
ILE A 935
LEU A 927
PHE A 928
 None
 0.78A 3adsA-4bfrA:
undetectable		 3adsA-4bfrA:
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.
4bxw FACTOR XA

(Pseudonaja
textilis) 		PF00089
(Trypsin)
PF14670
(FXa_inhibition) 		4 ILE A 275
ILE A 408
TYR A 243
LEU A 237
 None
 1.15A 3adsA-4bxwA:
undetectable		 3adsA-4bxwA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cdb LISTERIOLYSIN O

(Listeria
monocytogenes) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 ILE A 249
ILE A 108
TYR A 406
LEU A 306
 None
NA  A1536 ( 4.4A)
NA  A1536 (-4.5A)
None
 1.10A 3adsA-4cdbA:
undetectable		 3adsA-4cdbA:
21.36
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		4 ILE A1114
TYR A1116
LEU A1292
MET A1059
 None
 1.16A 3adsA-4fbqA:
undetectable		 3adsA-4fbqA:
21.70
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.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Mycobacterium
tuberculosis) 		PF01680
(SOR_SNZ) 		4 ILE A 151
ILE A 220
LEU A 210
MET A 169
 None
 1.13A 3adsA-4jdyA:
undetectable		 3adsA-4jdyA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lej VICILIN

(Pinus
koraiensis) 		PF00190
(Cupin_1) 		4 ILE A 177
TYR A 195
LEU A 175
MET A 117
 None
None
None
GOL  A 503 ( 4.9A)
 0.73A 3adsA-4lejA:
undetectable		 3adsA-4lejA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mb2 PHOSPHOPANTOTHENATE
SYNTHETASE

(Thermococcus
onnurineus) 		PF02006
(PPS_PS) 		4 ILE A  47
ILE A 254
LEU A 182
PHE A  43
 None
None
ATP  A 301 (-3.8A)
None
 0.96A 3adsA-4mb2A:
undetectable		 3adsA-4mb2A:
23.44
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.
4nu7 RIBULOSE-PHOSPHATE
3-EPIMERASE

(Toxoplasma
gondii) 		PF00834
(Ribul_P_3_epim) 		4 ILE A  92
ILE A   8
LEU A  72
PHE A  94
 None
 0.83A 3adsA-4nu7A:
undetectable		 3adsA-4nu7A:
20.96
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.
4o4f INOSITOL
HEXAKISPHOSPHATE
KINASE

(Entamoeba
histolytica) 		PF03770
(IPK) 		4 ILE A 169
ILE A 142
LEU A 100
MET A 138
 None
 1.06A 3adsA-4o4fA:
undetectable		 3adsA-4o4fA:
23.18
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.
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE

(Homo sapiens) 		PF00348
(polyprenyl_synt) 		4 ILE A 210
ILE A 139
LEU A 232
PHE A 206
 None
 1.18A 3adsA-4p0vA:
undetectable		 3adsA-4p0vA:
25.47
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.
4pqj PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		4 ILE A 225
ILE A 230
LEU A 178
PHE A 179
 None
 0.74A 3adsA-4pqjA:
undetectable		 3adsA-4pqjA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		4 ILE H  77
ILE H 146
LEU H  32
MET H  99
 None
None
None
MLI  H 301 (-3.3A)
 1.09A 3adsA-4ryfH:
undetectable		 3adsA-4ryfH:
23.29
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.
4uy3 SEPTATION RING
FORMATION REGULATOR
EZRA

(Staphylococcus
aureus) 		PF06160
(EzrA) 		4 ILE A 131
ILE A 200
TYR A 184
LEU A  53
 None
 0.86A 3adsA-4uy3A:
undetectable		 3adsA-4uy3A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 ILE A 301
ILE A 264
LEU A 472
PHE A 465
 None
 0.98A 3adsA-4wd9A:
undetectable		 3adsA-4wd9A:
15.14
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.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		4 ILE A  38
ILE A 217
LEU A  31
PHE A  35
 None
 0.99A 3adsA-4y7pA:
undetectable		 3adsA-4y7pA:
21.16
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ILE A 401
ILE A  27
TYR A  37
LEU A 417
 None
None
PNS  A1401 (-4.7A)
None
 1.14A 3adsA-4zxiA:
undetectable		 3adsA-4zxiA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a9p POLYHEDRIN

(Operophtera
brumata
cypovirus 18) 		PF05865
(Cypo_polyhedrin) 		4 ILE A 109
ILE A 225
TYR A 224
LEU A  68
 None
 1.09A 3adsA-5a9pA:
undetectable		 3adsA-5a9pA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5afo FIMBRIAE

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 ILE A 152
ILE A 169
LEU A  73
PHE A  82
 None
 1.17A 3adsA-5afoA:
undetectable		 3adsA-5afoA:
23.40
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		4 ILE A  65
ILE A 168
TYR A 141
PHE A  68
 HEM  A 502 (-4.7A)
None
None
None
 1.13A 3adsA-5djqA:
undetectable		 3adsA-5djqA:
19.79
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.
5e24 SUPPRESSOR OF
HAIRLESS PROTEIN

(Drosophila
melanogaster) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		4 ILE E 122
TYR E 113
LEU E 149
PHE E 150
 None
None
EDO  E 610 (-4.9A)
EDO  E 603 (-3.7A)
 0.88A 3adsA-5e24E:
undetectable		 3adsA-5e24E:
23.58
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.
5e3t PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE I,
ALPHA

(Danio rerio) 		PF01504
(PIP5K) 		4 ILE A 133
TYR A 138
LEU A 150
PHE A 160
 None
None
None
ANP  A 501 (-4.1A)
 0.67A 3adsA-5e3tA:
undetectable		 3adsA-5e3tA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6p PLEXIN-B2

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 ILE A1432
ILE A1703
LEU A1636
PHE A1639
 None
 1.06A 3adsA-5e6pA:
undetectable		 3adsA-5e6pA:
20.33
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.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		no annotation 4 ILE B 427
ILE B 327
TYR B 418
LEU B 464
 None
 0.89A 3adsA-5fbhB:
undetectable		 3adsA-5fbhB:
18.58
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.
5fdk HOLLIDAY JUNCTION
RESOLVASE RECU

(Bacillus
subtilis) 		PF03838
(RecU) 		4 ILE A 138
ILE A 133
TYR A 197
LEU A 172
 None
 1.10A 3adsA-5fdkA:
undetectable		 3adsA-5fdkA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ILE A 134
ILE A 268
TYR A 219
LEU A  61
 None
 1.08A 3adsA-5fp1A:
undetectable		 3adsA-5fp1A:
16.62
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.
5gpy GENERAL
TRANSCRIPTION FACTOR
IIE SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
IIE SUBUNIT BETA

(Homo sapiens) 		PF02002
(TFIIE_alpha)
PF08271
(TF_Zn_Ribbon)
no annotation 		4 ILE A  28
ILE A  94
LEU B 190
PHE B 202
 None
 1.14A 3adsA-5gpyA:
undetectable		 3adsA-5gpyA:
25.00
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.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE

(Homo sapiens) 		PF00632
(HECT) 		4 ILE A 675
ILE A 792
PHE A 711
MET A 718
 None
 1.16A 3adsA-5hpkA:
undetectable		 3adsA-5hpkA:
22.91
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.
5iq5 MACRO DOMAIN

(Mayaro virus) 		no annotation 4 ILE A 141
ILE A 101
LEU A 125
MET A 132
 None
 0.93A 3adsA-5iq5A:
undetectable		 3adsA-5iq5A:
13.38
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 ILE A 285
ILE A  93
LEU A 295
PHE A 288
 None
 1.02A 3adsA-5jd4A:
undetectable		 3adsA-5jd4A:
21.87
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.
5jwb TYPE II
NADH:UBIQUINONE
OXIDOREDUCTASE

(Plasmodium
falciparum) 		PF07992
(Pyr_redox_2) 		4 ILE A 317
ILE A  44
TYR A 141
LEU A 321
 None
 1.00A 3adsA-5jwbA:
undetectable		 3adsA-5jwbA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		4 ILE A 427
ILE A 327
TYR A 418
LEU A 464
 None
 0.89A 3adsA-5k5tA:
undetectable		 3adsA-5k5tA:
19.02
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.
5l75 FIG000906: PREDICTED
PERMEASE

(Klebsiella
pneumoniae) 		PF03739
(YjgP_YjgQ) 		4 ILE G 279
ILE G 111
LEU G 342
PHE G 280
 None
 1.04A 3adsA-5l75G:
undetectable		 3adsA-5l75G:
22.85
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.
5mgv PHENYLALANINE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01409
(tRNA-synt_2d)
PF03147
(FDX-ACB) 		4 ILE A 380
ILE A 293
TYR A 152
LEU A 401
 None
 1.12A 3adsA-5mgvA:
undetectable		 3adsA-5mgvA:
21.03
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.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ILE A 793
ILE A 934
TYR A 909
LEU A 745
 None
 1.14A 3adsA-5n0cA:
undetectable		 3adsA-5n0cA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ILE B  42
ILE B 175
TYR B 170
LEU B 192
 None
 1.02A 3adsA-5n1qB:
undetectable		 3adsA-5n1qB:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nkm PROTEIN SMG-8

(Caenorhabditis
elegans) 		PF10220
(Smg8_Smg9) 		4 ILE E  62
ILE E  22
LEU E 322
MET E 315
 None
 1.12A 3adsA-5nkmE:
undetectable		 3adsA-5nkmE:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ny5 3,4-DIHYDROXYBENZOAT
E DECARBOXYLASE

(Enterobacter
cloacae) 		PF01977
(UbiD) 		4 ILE A 190
ILE A 216
TYR A 217
LEU A 184
 None
 1.10A 3adsA-5ny5A:
undetectable		 3adsA-5ny5A:
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		4 ILE A 190
ILE A 216
TYR A 217
LEU A 184
 None
 1.15A 3adsA-5o3mA:
undetectable		 3adsA-5o3mA:
21.68
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 ILE A 434
ILE A 487
LEU A 362
PHE A 405
 None
 1.13A 3adsA-5tr0A:
undetectable		 3adsA-5tr0A:
16.81
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.
5xjg NUCLEUS-VACUOLE
JUNCTION PROTEIN 1
VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
no annotation 		4 ILE B 295
ILE A 454
TYR A 451
LEU B 292
 None
 1.09A 3adsA-5xjgB:
undetectable		 3adsA-5xjgB:
16.85
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.
5zkq PLATELET-ACTIVATING
FACTOR
RECEPTOR,ENDOLYSIN,E
NDOLYSIN,PLATELET-AC
TIVATING FACTOR
RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		no annotation 4 ILE A  99
ILE A  25
TYR A  22
PHE A  98
 None
None
9EU  A 501 (-4.7A)
OLC  A 502 ( 4.8A)
 0.75A 3adsA-5zkqA:
undetectable		 3adsA-5zkqA:
15.85
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.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 4 ILE A  19
ILE A  52
LEU A  27
MET A 369
 None
 0.97A 3adsA-6c0eA:
undetectable		 3adsA-6c0eA:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 4 ILE A 364
ILE A 389
LEU A 376
PHE A 379
 None
DMU  A 502 ( 4.7A)
None
None
 1.13A 3adsA-6d0nA:
undetectable		 3adsA-6d0nA:
17.33
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 4 ILE A 407
TYR A 408
LEU A 184
PHE A 187
 None
BCR  A4007 (-4.5A)
None
None
 1.06A 3adsA-6fosA:
undetectable		 3adsA-6fosA:
13.59