SIMILAR PATTERNS OF AMINO ACIDS FOR 4J03_A_FVSA603_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.
1dc9 INTESTINAL FATTY
ACID BINDING PROTEIN

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		5 TYR A 117
PHE A  17
LEU A  72
LEU A 102
TYR A  14
 None
 1.18A 4j03A-1dc9A:
undetectable		 4j03A-1dc9A:
11.35
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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 ASP A 127
TYR A 211
LEU A 124
LEU A 170
HIS A  94
 None
 1.16A 4j03A-1dj2A:
undetectable		 4j03A-1dj2A:
22.96
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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		5 ILE A 102
TYR A 208
PHE A 126
LEU A 180
LEU A 215
 None
 1.27A 4j03A-1dj2A:
undetectable		 4j03A-1dj2A:
22.96
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.
1e2t N-HYDROXYARYLAMINE
O-ACETYLTRANSFERASE

(Salmonella
enterica) 		PF00797
(Acetyltransf_2) 		5 PHE A 174
TYR A 172
PHE A 125
LEU A  96
LEU A 151
 None
 1.17A 4j03A-1e2tA:
undetectable		 4j03A-1e2tA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ek2 EPOXIDE HYDROLASE

(Mus musculus) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		8 ASP A 333
PHE A 379
TYR A 381
PHE A 385
TYR A 465
LEU A 498
HIS A 523
TRP A 524
 CDU  A1100 (-3.2A)
None
CDU  A1100 (-4.4A)
None
CDU  A1100 (-4.2A)
None
CDU  A1100 (-4.1A)
None
 0.45A 4j03A-1ek2A:
50.9		 4j03A-1ek2A:
73.02
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 ILE A 498
PHE A 384
LEU A 546
LEU A 606
LEU A 535
 None
 1.02A 4j03A-1f4hA:
undetectable		 4j03A-1f4hA:
19.77
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 TYR A 120
ILE A  62
PHE A  75
LEU A  45
LEU A 167
 None
 1.09A 4j03A-1fuiA:
4.1		 4j03A-1fuiA:
22.27
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 ASP A  60
PHE A  99
LEU A 109
LEU A 140
HIS A 488
 None
 1.14A 4j03A-1hcuA:
undetectable		 4j03A-1hcuA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hno D3,D2-ENOYL COA
ISOMERASE ECI1

(Saccharomyces
cerevisiae) 		PF00378
(ECH_1) 		5 ILE A  59
TYR A 148
PHE A 184
LEU A 178
LEU A 133
 None
None
None
None
EDO  A 281 (-4.2A)
 1.18A 4j03A-1hnoA:
undetectable		 4j03A-1hnoA:
19.10
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.
1jb7 TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		5 ILE B  88
PHE B  14
TYR B  18
PHE B 139
LEU B  97
 None
 1.10A 4j03A-1jb7B:
undetectable		 4j03A-1jb7B:
17.92
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 ILE A 283
PHE A 446
TYR A 319
PHE A 412
LEU A 382
 None
 1.27A 4j03A-1jqoA:
undetectable		 4j03A-1jqoA:
21.54
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		5 ILE A 332
PHE A  61
LEU A  20
LEU A  65
LEU A 277
 None
 1.34A 4j03A-1lxyA:
undetectable		 4j03A-1lxyA:
22.96
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 ILE A 265
PHE A 251
LEU A  91
LEU A 324
LEU A 103
 None
None
None
None
NA  A 501 (-4.8A)
 1.35A 4j03A-1mlzA:
2.4		 4j03A-1mlzA:
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.
1n94 PROTEIN
FARNESYLTRANSFERASE
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 ILE B 372
TYR B 205
LEU B 262
TYR B 401
LEU B 310
 None
 1.32A 4j03A-1n94B:
undetectable		 4j03A-1n94B:
23.09
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.
1phj TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		5 ILE B  88
PHE B  14
TYR B  18
PHE B 139
LEU B  97
 None
 1.02A 4j03A-1phjB:
undetectable		 4j03A-1phjB:
15.47
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.
1prz RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 ASP A 139
ILE A 134
TYR A 171
LEU A 247
LEU A 226
 None
 1.27A 4j03A-1przA:
undetectable		 4j03A-1przA:
17.74
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.
1qpa LIGNIN PEROXIDASE

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ILE A  93
PHE A 193
LEU A 235
LEU A  87
HIS A  47
 None
HEM  A 350 ( 4.9A)
HEM  A 350 (-4.8A)
None
None
 1.31A 4j03A-1qpaA:
undetectable		 4j03A-1qpaA:
22.12
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.
1r6x ATP:SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 TYR A 144
PHE A  53
LEU A 321
LEU A 261
HIS A 274
 None
 1.34A 4j03A-1r6xA:
3.9		 4j03A-1r6xA:
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ILE A 333
LEU A 417
LEU A 165
LEU A 311
HIS A 395
 None
 1.17A 4j03A-1serA:
undetectable		 4j03A-1serA:
22.36
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		5 ILE A 366
TYR A 393
PHE A  17
LEU A 298
HIS A 212
 None
 1.26A 4j03A-1t3iA:
undetectable		 4j03A-1t3iA:
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.
1u27 CYTOHESIN 2

(Mus musculus) 		PF00169
(PH) 		5 TYR A 291
PHE A 282
LEU A 325
LEU A 289
HIS A 351
 4IP  A 101 (-4.6A)
None
None
None
4IP  A 101 (-3.8A)
 1.32A 4j03A-1u27A:
undetectable		 4j03A-1u27A:
12.54
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.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ILE A 121
TYR A  77
LEU A 230
LEU A   1
LEU A 203
 None
 1.25A 4j03A-1yzyA:
2.0		 4j03A-1yzyA:
22.54
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ASP A 513
ILE A 524
PHE A 435
TYR A 416
PHE A 483
 None
 1.38A 4j03A-1z1wA:
undetectable		 4j03A-1z1wA:
22.00
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		6 ASP A 104
TYR A 164
LEU A 189
LEU A 234
TYR A 272
HIS A 333
 ACT  A2005 ( 4.0A)
ACT  A2005 (-4.6A)
None
None
None
ACT  A2005 (-4.3A)
 0.73A 4j03A-2e3jA:
39.0		 4j03A-2e3jA:
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		6 ASP A 104
TYR A 164
LEU A 189
TYR A 272
HIS A 333
TRP A 334
 ACT  A2005 ( 4.0A)
ACT  A2005 (-4.6A)
None
None
ACT  A2005 (-4.3A)
ACT  A2003 (-4.1A)
 0.81A 4j03A-2e3jA:
39.0		 4j03A-2e3jA:
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		6 ASP A 104
TYR A 164
PHE A 168
LEU A 234
TYR A 272
HIS A 333
 ACT  A2005 ( 4.0A)
ACT  A2005 (-4.6A)
None
None
None
ACT  A2005 (-4.3A)
 0.72A 4j03A-2e3jA:
39.0		 4j03A-2e3jA:
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		6 ASP A 104
TYR A 164
PHE A 168
TYR A 272
HIS A 333
TRP A 334
 ACT  A2005 ( 4.0A)
ACT  A2005 (-4.6A)
None
None
ACT  A2005 (-4.3A)
ACT  A2003 (-4.1A)
 0.48A 4j03A-2e3jA:
39.0		 4j03A-2e3jA:
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.
2fgt TWO-COMPONENT SYSTEM
YYCF/YYCG REGULATORY
PROTEIN YYCH

(Bacillus
subtilis) 		PF07435
(YycH) 		5 TYR A 176
PHE A 112
LEU A 159
LEU A 220
HIS A  71
 None
 1.37A 4j03A-2fgtA:
undetectable		 4j03A-2fgtA:
21.33
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  84
TYR A 160
PHE A 191
LEU A 172
LEU A 164
 None
 1.14A 4j03A-2h2qA:
undetectable		 4j03A-2h2qA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hh9 THIAMIN
PYROPHOSPHOKINASE

(Candida
albicans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 ILE A 304
PHE A  37
TYR A  39
LEU A 197
LEU A  67
 None
 1.06A 4j03A-2hh9A:
3.1		 4j03A-2hh9A:
19.58
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.
2i0q TELOMERE-BINDING
PROTEIN BETA SUBUNIT

(Sterkiella nova) 		PF07404
(TEBP_beta) 		5 ILE B  88
PHE B  14
TYR B  18
PHE B 139
LEU B  97
 None
 1.14A 4j03A-2i0qB:
undetectable		 4j03A-2i0qB:
20.92
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.
2iqc FANCONI ANEMIA GROUP
F PROTEIN

(Homo sapiens) 		PF11107
(FANCF) 		5 PHE A 201
PHE A 251
LEU A 210
LEU A 259
LEU A 170
 None
 1.07A 4j03A-2iqcA:
undetectable		 4j03A-2iqcA:
17.72
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.
2r09 CYTOHESIN-3

(Mus musculus) 		PF00169
(PH)
PF01369
(Sec7) 		5 TYR A 295
PHE A 286
LEU A 329
LEU A 293
HIS A 355
 4IP  A 405 (-4.5A)
None
None
None
4IP  A 405 (-3.9A)
 1.36A 4j03A-2r09A:
undetectable		 4j03A-2r09A:
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.
2uzx HEPATOCYTE GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 PHE B 258
TYR B 260
PHE B 253
LEU B 296
LEU B 262
 None
 1.29A 4j03A-2uzxB:
undetectable		 4j03A-2uzxB:
20.74
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.
2we9 MOBA-RELATED PROTEIN

(Mycobacterium
tuberculosis) 		PF12804
(NTP_transf_3) 		5 TYR A 131
ILE A 117
PHE A  46
LEU A  53
LEU A  66
 None
 1.16A 4j03A-2we9A:
undetectable		 4j03A-2we9A:
17.51
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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ILE A 659
LEU A 249
LEU A 239
LEU A 286
HIS A 247
 None
 1.34A 4j03A-2wtbA:
2.2		 4j03A-2wtbA:
22.39
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.
2z2u UPF0026 PROTEIN
MJ0257

(Methanocaldococcus
jannaschii) 		PF04055
(Radical_SAM)
PF08608
(Wyosine_form) 		5 ILE A 273
TYR A  45
PHE A 160
LEU A 311
TYR A 180
 None
 1.30A 4j03A-2z2uA:
undetectable		 4j03A-2z2uA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ILE A 359
PHE A 337
LEU A 196
LEU A 279
LEU A 371
 None
 1.35A 4j03A-2zygA:
2.8		 4j03A-2zygA:
22.49
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.
3bci DISULFIDE BOND
PROTEIN A

(Staphylococcus
aureus) 		PF13462
(Thioredoxin_4) 		5 ILE A  45
TYR A  24
LEU A 101
LEU A  75
HIS A  72
 None
 1.35A 4j03A-3bciA:
undetectable		 4j03A-3bciA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT BETA

(Pseudomonas
putida) 		PF00866
(Ring_hydroxyl_B) 		5 ILE B 129
PHE B  81
LEU B 183
TYR B  55
HIS B 111
 None
 1.08A 4j03A-3eqqB:
undetectable		 4j03A-3eqqB:
15.29
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 TYR A 340
ILE A 337
LEU A 413
TYR A 382
LEU A 348
 None
None
None
MG  A 605 ( 4.8A)
None
 1.33A 4j03A-3g4fA:
undetectable		 4j03A-3g4fA:
21.33
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.
3kda CFTR INHIBITORY
FACTOR (CIF)

(Pseudomonas
aeruginosa) 		no annotation 5 ASP D 129
PHE D 181
TYR D 239
HIS D 297
TRP D 298
 None
 0.40A 4j03A-3kdaD:
30.8		 4j03A-3kdaD:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kda CFTR INHIBITORY
FACTOR (CIF)

(Pseudomonas
aeruginosa) 		no annotation 5 ILE D 156
PHE D 181
TYR D 239
HIS D 297
TRP D 298
 None
 1.07A 4j03A-3kdaD:
30.8		 4j03A-3kdaD:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kux PUTATIVE
OXIDOREDUCTASE

(Yersinia pestis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A  65
TYR A 303
PHE A 121
LEU A 259
LEU A  32
 None
 1.04A 4j03A-3kuxA:
4.4		 4j03A-3kuxA:
21.24
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.
3lao ENOYL-COA
HYDRATASE/ISOMERASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 ILE A 167
PHE A  33
LEU A  59
LEU A  24
LEU A 122
 None
 1.35A 4j03A-3laoA:
undetectable		 4j03A-3laoA:
21.17
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.
3ly9 TRANSCRIPTIONAL
ACTIVATOR CADC

(Escherichia
coli) 		no annotation 6 ILE A 384
TYR A 374
LEU A 226
LEU A 330
LEU A 347
HIS A 344
 None
 1.40A 4j03A-3ly9A:
undetectable		 4j03A-3ly9A:
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.
3mmp RNA-DIRECTED RNA
POLYMERASE BETA
CHAIN

(Escherichia
virus Qbeta) 		no annotation 5 ILE G 494
PHE G 410
LEU G  37
LEU G 472
TRP G 439
 None
 1.39A 4j03A-3mmpG:
undetectable		 4j03A-3mmpG:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nv0 NUCLEAR RNA EXPORT
FACTOR 2

(Caenorhabditis
elegans) 		no annotation 5 TYR A 207
ILE A 220
PHE A 359
TYR A 358
LEU A 257
 None
None
None
NA  A 452 (-4.5A)
None
 1.32A 4j03A-3nv0A:
undetectable		 4j03A-3nv0A:
15.93
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.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 ILE A 150
PHE A 169
LEU A 192
LEU A 173
TYR A 141
 None
 1.16A 4j03A-3qnbA:
undetectable		 4j03A-3qnbA:
17.17
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.
3qyx ESX-1
SECRETION-ASSOCIATED
REGULATOR ESPR

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A  31
PHE A  14
LEU A  85
LEU A  89
LEU A  65
 None
 1.28A 4j03A-3qyxA:
undetectable		 4j03A-3qyxA:
14.05
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 TYR A 161
TYR A 456
LEU A 482
LEU A 489
LEU A 396
 None
 1.28A 4j03A-3sutA:
undetectable		 4j03A-3sutA:
21.54
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.
3tat TYROSINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ASP A 222
ILE A 218
LEU A 187
HIS A 143
TRP A 140
 PLP  A 500 (-3.7A)
None
None
None
PLP  A 500 ( 4.1A)
 1.34A 4j03A-3tatA:
undetectable		 4j03A-3tatA:
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.
3tsn 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Campylobacter
jejuni) 		PF04166
(PdxA) 		5 ILE A 358
TYR A  34
LEU A  16
LEU A  41
LEU A 129
 None
 1.35A 4j03A-3tsnA:
undetectable		 4j03A-3tsnA:
20.46
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		5 ILE A 306
TYR A 137
LEU A 355
LEU A 193
LEU A 313
 None
 1.12A 4j03A-3ty1A:
undetectable		 4j03A-3ty1A:
20.90
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.
3uyw HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 PHE A 101
LEU A 180
LEU A 182
TYR A 104
LEU A  58
 None
 1.29A 4j03A-3uywA:
undetectable		 4j03A-3uywA:
15.64
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.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ASP A 143
ILE A 199
TYR A 106
LEU A 103
HIS A  86
 None
 1.37A 4j03A-3v9aA:
15.0		 4j03A-3v9aA:
21.33
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 TYR A 118
ILE A  60
PHE A  73
LEU A  43
LEU A 165
 None
 1.21A 4j03A-4c22A:
3.1		 4j03A-4c22A:
21.47
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.
4e5k PHOSPHITE
DEHYDROGENASE
(THERMOSTABLE
VARIANT)

(Pseudomonas
stutzeri) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 156
PHE A 289
LEU A 250
LEU A 281
LEU A 206
 NAD  A 401 (-3.6A)
None
None
None
None
 1.25A 4j03A-4e5kA:
3.2		 4j03A-4e5kA:
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.
4f4w DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 ILE A 167
LEU A 195
LEU A 214
TYR A 225
LEU A 179
 None
 1.12A 4j03A-4f4wA:
undetectable		 4j03A-4f4wA:
21.53
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.
4fww MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		PF01403
(Sema) 		5 PHE A 258
TYR A 260
PHE A 253
LEU A 298
LEU A 262
 None
 1.28A 4j03A-4fwwA:
undetectable		 4j03A-4fwwA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inz SOLUBLE EPOXIDE
HYDROLASE

(Bacillus
megaterium) 		PF00561
(Abhydrolase_1) 		6 ASP A  97
TYR A 144
PHE A 148
LEU A 168
TYR A 203
HIS A 267
 PEG  A 302 ( 4.7A)
None
None
None
PEG  A 302 (-4.6A)
None
 0.70A 4j03A-4inzA:
32.3		 4j03A-4inzA:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		12 ASP A 335
TYR A 343
ILE A 363
PHE A 381
TYR A 383
PHE A 387
LEU A 408
LEU A 428
TYR A 466
LEU A 499
HIS A 524
TRP A 525
 1LF  A 601 (-2.6A)
None
None
1LF  A 601 (-4.5A)
1LF  A 601 (-4.4A)
None
1LF  A 601 (-4.5A)
None
1LF  A 601 (-4.5A)
1LF  A 601 (-4.6A)
1LF  A 601 (-3.3A)
None
 0.62A 4j03A-4jncA:
52.9		 4j03A-4jncA:
85.75
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.
4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		5 PHE B 258
TYR B 260
PHE B 253
LEU B 296
LEU B 262
 None
 1.31A 4j03A-4k3jB:
undetectable		 4j03A-4k3jB:
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ILE A 481
LEU A 307
LEU A 513
TYR A 498
LEU A 326
 None
None
None
None
GOL  A 606 (-4.8A)
 1.30A 4j03A-4m8uA:
3.0		 4j03A-4m8uA:
22.26
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.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		5 ASP A 158
PHE A 210
TYR A 267
HIS A 329
TRP A 330
 None
 0.49A 4j03A-4meaA:
29.2		 4j03A-4meaA:
20.32
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.
4owt INTEGRATOR COMPLEX
SUBUNIT 3

(Homo sapiens) 		PF10189
(Ints3) 		5 TYR A 336
PHE A 332
LEU A 305
LEU A 349
LEU A 135
 None
 1.28A 4j03A-4owtA:
undetectable		 4j03A-4owtA:
21.75
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.
4q76 CYSTEINE DESULFURASE
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00266
(Aminotran_5) 		5 ILE A 378
TYR A 405
PHE A  27
LEU A 308
HIS A 222
 None
 1.31A 4j03A-4q76A:
undetectable		 4j03A-4q76A:
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.
4qdh VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 9
CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ILE A  67
PHE A 121
PHE A 148
LEU A 175
TYR A 116
 None
 1.24A 4j03A-4qdhA:
undetectable		 4j03A-4qdhA:
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.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''
DNA-DIRECTED RNA
POLYMERASE SUBUNIT H

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF01191
(RNA_pol_Rpb5_C)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ILE C  20
TYR H  76
PHE A 870
LEU H  30
LEU H  40
 None
 1.36A 4j03A-4qiwC:
2.1		 4j03A-4qiwC:
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.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 5 ILE A 146
LEU A  57
TYR A  34
LEU A 122
HIS A 123
 None
 1.25A 4j03A-4r29A:
undetectable		 4j03A-4r29A:
16.09
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.
4rgk UNCHARACTERIZED
PROTEIN

(Yersinia pestis) 		PF07350
(DUF1479) 		5 ILE A  39
PHE A 214
TYR A 218
HIS A 335
TRP A 163
 None
 1.36A 4j03A-4rgkA:
undetectable		 4j03A-4rgkA:
23.16
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.
4rkc AROMATIC AMINO ACID
AMINOTRANSFERASE

(Psychrobacter
sp. B6) 		PF00155
(Aminotran_1_2) 		5 ASP A 211
ILE A 207
LEU A 176
HIS A 133
TRP A 130
 PMP  A 409 (-2.7A)
None
None
PMP  A 409 ( 4.7A)
PMP  A 409 ( 3.6A)
 1.19A 4j03A-4rkcA:
2.2		 4j03A-4rkcA:
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.
4w7g DYNEIN LIGHT
INTERMEDIATE CHAIN

(Chaetomium
thermophilum) 		PF05783
(DLIC) 		5 ILE A 269
PHE A  63
LEU A 126
LEU A  91
LEU A 139
 None
 1.38A 4j03A-4w7gA:
2.0		 4j03A-4w7gA:
21.92
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.
4xnq INFLUENZA H5 HA HEAD
DOMAIN VIETNAM RDT
MUTATIONS

(Influenza A
virus) 		no annotation 5 PHE D 102
LEU D 177
LEU D 179
TYR D 105
LEU D  61
 None
 1.29A 4j03A-4xnqD:
undetectable		 4j03A-4xnqD:
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.
4zrx F5/8 TYPE C DOMAIN
PROTEIN

(Bacteroides
ovatus) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 ILE A 238
PHE A  66
PHE A 108
LEU A 330
LEU A 364
 EDO  A 701 (-4.5A)
None
None
None
None
 1.06A 4j03A-4zrxA:
2.7		 4j03A-4zrxA:
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 5 PHE A 275
TYR A 277
LEU A 383
LEU A 367
LEU A 395
 None
 1.33A 4j03A-5ah0A:
11.4		 4j03A-5ah0A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		12 ASP A 335
TYR A 343
ILE A 363
PHE A 381
TYR A 383
PHE A 387
LEU A 408
LEU A 428
TYR A 466
LEU A 499
HIS A 524
TRP A 525
 II6  A1552 ( 3.0A)
None
None
None
II6  A1552 (-4.2A)
None
None
None
SO4  A1550 ( 4.8A)
SO4  A1550 (-4.8A)
II6  A1552 (-3.6A)
II6  A1552 ( 4.7A)
 0.44A 4j03A-5allA:
56.8		 4j03A-5allA:
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.
5avo HOMOSERINE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ASP A  45
ILE A  68
TYR A   8
LEU A  19
HIS A  20
 None
 1.21A 4j03A-5avoA:
2.6		 4j03A-5avoA:
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		5 ASP A 144
TYR A 192
PHE A 196
TYR A 251
HIS A 318
 None
 0.85A 4j03A-5bovA:
27.8		 4j03A-5bovA:
18.13
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 6 ASP C 103
TYR C 153
PHE C 157
TYR C 238
HIS C 297
TRP C 298
 BSU  C 401 (-2.8A)
BSU  C 401 (-4.4A)
None
BSU  C 401 (-4.4A)
BSU  C 401 (-3.8A)
None
 0.38A 4j03A-5cw2C:
39.6		 4j03A-5cw2C:
26.23
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.
5dj4 SESTRIN-2

(Homo sapiens) 		PF04636
(PA26) 		5 ILE A 216
LEU A 363
TYR A  89
LEU A 207
HIS A 203
 None
 1.25A 4j03A-5dj4A:
undetectable		 4j03A-5dj4A:
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A 193
TYR A  75
LEU A  78
TYR A 188
HIS A 354
 ZN  A 508 (-2.1A)
None
None
None
ZN  A 508 (-3.3A)
 1.28A 4j03A-5egeA:
undetectable		 4j03A-5egeA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		5 ILE A 316
PHE A 367
TYR A 363
LEU A 148
LEU A 359
 None
 1.33A 4j03A-5h3oA:
undetectable		 4j03A-5h3oA:
20.35
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.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5

(Candida
albicans) 		PF00080
(Sod_Cu) 		5 ASP A 132
TYR A 144
ILE A 165
LEU A 114
HIS A 118
 None
 1.34A 4j03A-5kbmA:
undetectable		 4j03A-5kbmA:
14.05
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		5 ASP A 245
PHE A 281
LEU A 291
LEU A 310
HIS A 638
 None
MAN  A 708 ( 4.3A)
None
None
None
 1.13A 4j03A-5kkbA:
undetectable		 4j03A-5kkbA:
24.01
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.
5nfq EPOXIDE HYDROLASE
BELONGING TO
ALPHA/BETA HYDROLASE
SUPERFAMILY
METAGENOMIC FROM
TOMSK SAMPLE

(metagenome) 		no annotation 6 ASP A 102
PHE A 154
LEU A 172
TYR A 209
LEU A 252
HIS A 277
 PGE  A 412 ( 4.5A)
None
None
None
None
None
 1.24A 4j03A-5nfqA:
30.3		 4j03A-5nfqA:
10.27
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.
5nfq EPOXIDE HYDROLASE
BELONGING TO
ALPHA/BETA HYDROLASE
SUPERFAMILY
METAGENOMIC FROM
TOMSK SAMPLE

(metagenome) 		no annotation 6 ASP A 102
TYR A 150
PHE A 154
TYR A 209
LEU A 252
HIS A 277
 PGE  A 412 ( 4.5A)
None
None
None
None
None
 0.49A 4j03A-5nfqA:
30.3		 4j03A-5nfqA:
10.27
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.
5ng7 EPOXIDE HYDROLASE

(metagenome) 		no annotation 5 ASP A 101
TYR A 148
PHE A 152
TYR A 209
HIS A 270
 None
 0.60A 4j03A-5ng7A:
33.2		 4j03A-5ng7A:
10.26
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.
5ng7 EPOXIDE HYDROLASE

(metagenome) 		no annotation 5 TYR A 148
PHE A 152
TYR A 209
HIS A 270
TRP A 271
 None
 1.08A 4j03A-5ng7A:
33.2		 4j03A-5ng7A:
10.26
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE b 520
TYR b 620
PHE b 721
TYR b 718
TRP b 599
 CLA  b1838 (-4.1A)
None
CLA  b1806 (-3.2A)
CLA  b1806 (-4.6A)
None
 1.24A 4j03A-5oy0b:
undetectable		 4j03A-5oy0b:
9.68
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		5 ILE A 265
PHE A 251
LEU A  91
LEU A 324
LEU A 103
 None
 1.23A 4j03A-5uc7A:
undetectable		 4j03A-5uc7A:
23.20
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.
5uro PREDICTED PROTEIN

(Trichoderma
reesei) 		PF00561
(Abhydrolase_1) 		7 ASP A 116
PHE A 165
TYR A 167
TYR A 252
LEU A 289
HIS A 313
TRP A 314
 None
 0.63A 4j03A-5uroA:
40.1		 4j03A-5uroA:
22.66
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.
5w6t HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 PHE A 102
LEU A 177
LEU A 179
TYR A 105
LEU A  61
 None
 1.25A 4j03A-5w6tA:
undetectable		 4j03A-5w6tA:
19.42
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 5 ASP A 101
ILE A 174
TYR A 233
LEU A 236
TYR A 150
 None
 1.22A 4j03A-5xmdA:
39.0		 4j03A-5xmdA:
15.96
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 6 ASP A 101
TYR A 109
TYR A 150
PHE A 154
TYR A 233
HIS A 298
 None
 0.30A 4j03A-5xmdA:
39.0		 4j03A-5xmdA:
15.96
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.
5yeu -

(-) 		no annotation 5 TYR A 461
PHE A 491
LEU A 475
LEU A 211
LEU A 499
 None
 1.19A 4j03A-5yeuA:
undetectable		 4j03A-5yeuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 ASP A 513
ILE A 554
PHE A 558
PHE A 325
LEU A 307
 None
 1.38A 4j03A-5yv5A:
undetectable		 4j03A-5yv5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cer PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
ALPHA, SOMATIC FORM,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ILE A 317
PHE A  96
PHE A 131
LEU A 164
LEU A  85
 None
 1.34A 4j03A-6cerA:
undetectable		 4j03A-6cerA:
9.73
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.
6ch0 -

(-) 		no annotation 5 ASP C 220
TYR C 228
ILE C 216
LEU C 121
HIS C 118
 CO  C 301 (-2.1A)
None
None
None
CO  C 302 (-3.3A)
 1.27A 4j03A-6ch0C:
undetectable		 4j03A-6ch0C:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fnp -

(-) 		no annotation 5 TYR A 119
PHE A 146
LEU A  77
TYR A 149
LEU A  61
 None
 1.39A 4j03A-6fnpA:
undetectable		 4j03A-6fnpA:
undetectable