SIMILAR PATTERNS OF AMINO ACIDS FOR 4IAR_A_ERMA2001

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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		5 ASP A 355
ALA A 320
TRP A 504
MET A  83
PHE A 509
 None
 1.34A 4iarA-1gzvA:
0.0		 4iarA-1gzvA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		5 LEU A 312
VAL A  59
ALA A 260
PHE A 249
THR A 270
 None
 1.31A 4iarA-1nw5A:
undetectable		 4iarA-1nw5A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 VAL A 577
ALA A  81
PHE A 625
LEU A 565
PHE A 573
 None
 1.45A 4iarA-1p2zA:
undetectable		 4iarA-1p2zA:
18.77
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 451
MET A 454
LEU A 539
PHE A 502
THR A 473
 None
 1.37A 4iarA-1poxA:
undetectable		 4iarA-1poxA:
20.53
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 5 LEU A 177
ASP A 178
ALA A 419
SER A 413
LEU A 129
 None
 1.14A 4iarA-1qi9A:
undetectable		 4iarA-1qi9A:
21.93
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.
1su0 NIFU LIKE PROTEIN
ISCU

(Streptococcus
pyogenes) 		PF01592
(NifU_N) 		5 CYH B  40
VAL B 118
SER B  71
MET B  74
THR B  66
 ZN  B 160 (-2.7A)
None
None
None
None
 1.28A 4iarA-1su0B:
undetectable		 4iarA-1su0B:
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.
1u6l HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF06983
(3-dmu-9_3-mt) 		5 LEU A 101
ASP A 125
PHE A  11
LEU A  30
PHE A  19
 None
 1.45A 4iarA-1u6lA:
undetectable		 4iarA-1u6lA:
15.71
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 LEU A 462
VAL A 546
ALA A 454
LEU A 567
THR A 491
 IOD  A9056 (-4.2A)
None
IOD  A9033 ( 4.4A)
None
None
 1.49A 4iarA-1xc6A:
undetectable		 4iarA-1xc6A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		5 LEU A  54
ASP A 145
VAL A  46
ALA A  30
THR A 283
 None
ADP  A 557 (-3.2A)
None
None
None
 1.49A 4iarA-1yp4A:
undetectable		 4iarA-1yp4A:
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.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 LEU A 164
ALA A  87
PHE A 114
MET A 132
THR A 126
 None
 1.22A 4iarA-2b4wA:
undetectable		 4iarA-2b4wA:
20.19
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 299
PHE A 246
SER A 244
LEU A 277
THR A 258
 None
 1.37A 4iarA-2bvgA:
undetectable		 4iarA-2bvgA:
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 333
VAL A 389
ALA A 347
LEU A 356
THR A 361
 None
 1.49A 4iarA-2cb1A:
undetectable		 4iarA-2cb1A:
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		5 ASP A 356
ALA A 321
TRP A 505
MET A  84
PHE A 510
 None
 1.27A 4iarA-2cxnA:
undetectable		 4iarA-2cxnA:
22.98
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 340
ALA A 284
PHE A 266
LEU A 363
PHE A 362
 None
 1.42A 4iarA-2fjaA:
undetectable		 4iarA-2fjaA:
20.84
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.
2hyj PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 LEU A 144
ALA A  79
TRP A  72
SER A  96
LEU A 171
 None
 1.49A 4iarA-2hyjA:
3.0		 4iarA-2hyjA:
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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 ASP A  80
ALA A  74
LEU A  53
PHE A  62
THR A  48
 None
 1.35A 4iarA-2i44A:
undetectable		 4iarA-2i44A:
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.
2in5 HYPOTHETICAL
LIPOPROTEIN YMCC

(Escherichia
coli) 		PF11102
(YjbF) 		5 ASP A  95
PHE A 167
SER A 179
MET A 192
LEU A 183
 None
 1.49A 4iarA-2in5A:
undetectable		 4iarA-2in5A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jl4 MALEYLPYRUVATE
ISOMERASE

(Ralstonia sp.
U2) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A 162
ASP A 164
CYH A 194
ALA A 199
THR A 159
 None
 1.38A 4iarA-2jl4A:
2.2		 4iarA-2jl4A:
19.85
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 LEU A 411
ALA A 197
PHE A 371
PHE A 314
THR A 367
 LEU  A 411 ( 0.6A)
ALA  A 197 ( 0.0A)
PHE  A 371 ( 1.3A)
PHE  A 314 ( 1.3A)
THR  A 367 ( 0.8A)
 1.33A 4iarA-2ogsA:
undetectable		 4iarA-2ogsA:
21.71
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 234
CYH A 317
ALA A 387
SER A 361
THR A 354
 None
GOL  A 514 ( 4.2A)
None
None
None
 1.12A 4iarA-2qyvA:
undetectable		 4iarA-2qyvA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yms OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Escherichia
coli) 		PF13360
(PQQ_2) 		5 LEU D 270
ASP D 271
VAL D 258
SER B 158
LEU B 174
 None
 1.22A 4iarA-2ymsD:
undetectable		 4iarA-2ymsD:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 ALA A 442
TRP A 412
PHE A 368
LEU A 352
THR A 321
 None
 1.50A 4iarA-2z5lA:
undetectable		 4iarA-2z5lA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 LEU A 774
VAL A 772
ALA A 804
LEU A 655
THR A 732
 None
 1.38A 4iarA-3ak5A:
undetectable		 4iarA-3ak5A:
16.36
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.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 ASP B 406
ALA B 399
PHE B 452
LEU B 444
PHE B 409
 None
 1.32A 4iarA-3b78B:
undetectable		 4iarA-3b78B:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ejb BIOTIN BIOSYNTHESIS
CYTOCHROME P450-LIKE
ENZYME

(Bacillus
subtilis) 		PF00067
(p450) 		5 LEU B 352
ALA B 270
LEU B 118
PHE B 134
THR B 360
 None
 1.47A 4iarA-3ejbB:
undetectable		 4iarA-3ejbB:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 LEU A  23
VAL A  19
ALA A 188
LEU A  60
THR A 306
 None
 1.39A 4iarA-3fj1A:
undetectable		 4iarA-3fj1A:
24.06
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 ASP A 212
ALA A 233
MET A 301
LEU A 352
THR A 360
 None
 1.23A 4iarA-3g77A:
undetectable		 4iarA-3g77A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g9q FERRICHROME-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		5 VAL A  79
ALA A 136
LEU A 152
PHE A 155
THR A 159
 None
 1.42A 4iarA-3g9qA:
1.6		 4iarA-3g9qA:
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.
3iu6 PROTEIN POLYBROMO-1

(Homo sapiens) 		PF00439
(Bromodomain) 		5 LEU A 788
VAL A 815
MET A 758
LEU A 753
PHE A 754
 None
 1.45A 4iarA-3iu6A:
2.7		 4iarA-3iu6A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh8 MAOC-LIKE
DEHYDRATASE

(Phytophthora
capsici) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 LEU A 143
VAL A  55
PHE A 240
SER A 225
PHE A  50
 None
 1.45A 4iarA-3kh8A:
undetectable		 4iarA-3kh8A:
20.05
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.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 180
ALA A 303
PHE A 168
LEU A 205
THR A 169
 None
 1.46A 4iarA-3lgxA:
undetectable		 4iarA-3lgxA:
23.32
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.
3lma STAGE V SPORULATION
PROTEIN AD (SPOVAD)

(Bacillus
licheniformis) 		PF07451
(SpoVAD) 		5 ALA A  66
PHE A 291
LEU A 303
PHE A 331
THR A 286
 None
 1.35A 4iarA-3lmaA:
undetectable		 4iarA-3lmaA:
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.
3m1c ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
2) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 LEU A 631
VAL A 627
ALA A 568
PHE A 580
LEU A 382
 None
 1.49A 4iarA-3m1cA:
2.8		 4iarA-3m1cA:
19.24
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.
3m9v FAD-DEPENDENT
OXIDOREDUCTASE

(Actinomadura
kijaniata) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 108
ASP A  77
ALA A 318
LEU A  26
THR A  19
 None
 1.36A 4iarA-3m9vA:
3.7		 4iarA-3m9vA:
22.98
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.
3myu HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
genitalium) 		PF06646
(Mycoplasma_p37) 		5 LEU A 331
ASP A 337
PHE A  93
LEU A  34
PHE A  91
 None
 1.21A 4iarA-3myuA:
undetectable		 4iarA-3myuA:
22.09
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.
3ohp HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF00156
(Pribosyltran) 		5 ASP A  87
VAL A  36
MET A  48
LEU A  40
PHE A  63
 None
 1.35A 4iarA-3ohpA:
undetectable		 4iarA-3ohpA:
18.62
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 337
VAL A 313
PHE A 319
PHE A 235
THR A 333
 None
 1.35A 4iarA-3pfeA:
undetectable		 4iarA-3pfeA:
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		5 LEU A 281
VAL A 194
ALA A 190
SER A 265
THR A 307
 None
 1.43A 4iarA-3q9cA:
undetectable		 4iarA-3q9cA:
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.
3rg2 ENTEROBACTIN
SYNTHASE COMPONENT E
(ENTE),
2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
SYNTHETASE,
ISOCHROISMATASE
(ENTB)

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 267
ALA A 277
SER A 243
LEU A  49
THR A 252
 None
 1.40A 4iarA-3rg2A:
undetectable		 4iarA-3rg2A:
20.91
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.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 LEU A 141
VAL A 128
ALA A 184
PHE A 121
THR A 206
 None
 1.40A 4iarA-3ujgA:
3.8		 4iarA-3ujgA:
19.41
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 LEU A 861
ALA A  42
SER A  79
LEU A 684
PHE A 683
 None
 1.40A 4iarA-3w9iA:
2.8		 4iarA-3w9iA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		5 LEU A 257
ASP A 254
VAL A 286
PHE A 314
PHE A 325
 None
 1.20A 4iarA-3wx7A:
undetectable		 4iarA-3wx7A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 LEU A 527
ALA A 514
SER A 360
LEU A 469
PHE A 479
 None
 1.39A 4iarA-3wy2A:
undetectable		 4iarA-3wy2A:
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.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		5 LEU A 441
ALA A 308
MET A 161
LEU A 149
PHE A 157
 None
 1.24A 4iarA-3x0vA:
undetectable		 4iarA-3x0vA:
21.44
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 VAL A 473
ALA A 556
PHE A 724
MET A 732
LEU A 617
 None
 1.40A 4iarA-4c51A:
undetectable		 4iarA-4c51A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2p CYTOCHROME P450
107B1 (P450CVIIB1)

(Streptomyces
himastatinicus) 		PF00067
(p450) 		5 LEU A 140
CYH A 346
VAL A 137
MET A 155
THR A 241
 None
HEM  A 401 (-2.2A)
HEM  A 401 (-4.4A)
None
HEM  A 401 (-4.4A)
 1.49A 4iarA-4e2pA:
undetectable		 4iarA-4e2pA:
22.74
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.
4f3l BMAL1B
CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 LEU A 118
ASP A 119
ALA B 359
SER B 246
LEU B 239
 None
 1.29A 4iarA-4f3lA:
undetectable		 4iarA-4f3lA:
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A  50
ALA A 143
LEU A   5
PHE A   6
THR A 149
 None
 1.30A 4iarA-4gxrA:
undetectable		 4iarA-4gxrA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 LEU A 132
ASP A 135
ALA A 225
TRP A 337
PHE A 340
 None
ERM  A2001 (-3.2A)
ERM  A2001 (-3.4A)
None
ERM  A2001 (-4.3A)
 0.30A 4iarA-4ib4A:
33.2		 4iarA-4ib4A:
49.54
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.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		5 LEU A  63
ASP A  60
VAL A  69
ALA A  28
LEU A 102
 None
 1.31A 4iarA-4jjaA:
undetectable		 4iarA-4jjaA:
22.65
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.
4ks9 MALONYL-COA
DECARBOXYLASE

(Cupriavidus
metallidurans) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 LEU A 104
ASP A 165
ALA A  94
PHE A 158
PHE A 142
 None
 1.47A 4iarA-4ks9A:
undetectable		 4iarA-4ks9A:
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		5 LEU A 261
ASP A 258
VAL A 290
PHE A 318
PHE A 329
 None
 1.21A 4iarA-4nz5A:
undetectable		 4iarA-4nz5A:
19.73
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 LEU A 290
CYH A 355
VAL A 245
ALA A 344
SER A 376
 None
 1.15A 4iarA-4r7uA:
undetectable		 4iarA-4r7uA:
24.29
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 391
VAL A 315
ALA A 354
SER A 296
PHE A 308
 None
 1.27A 4iarA-4s38A:
undetectable		 4iarA-4s38A:
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.
4u9s NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C

(Vibrio cholerae) 		PF04205
(FMN_bind) 		5 LEU C 256
VAL C 136
ALA C  88
LEU C 239
PHE C 244
 None
 1.32A 4iarA-4u9sC:
undetectable		 4iarA-4u9sC:
18.72
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 LEU A  29
ALA A 388
PHE A 381
SER A 362
PHE A 366
 None
 1.41A 4iarA-4us4A:
undetectable		 4iarA-4us4A:
23.93
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		5 ASP A 359
ALA A 324
TRP A 508
MET A  88
PHE A 513
 None
 1.28A 4iarA-4wmjA:
undetectable		 4iarA-4wmjA:
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.
5b7s CYSTEINE DESULFURASE

(Thermococcus
onnurineus) 		PF00266
(Aminotran_5) 		5 ASP A 117
VAL A  93
ALA A 207
LEU A 130
THR A 109
 None
 1.47A 4iarA-5b7sA:
undetectable		 4iarA-5b7sA:
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.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 5 LEU A 318
CYH A 337
VAL A 315
LEU A 219
PHE A 223
 None
 1.32A 4iarA-5f0oA:
undetectable		 4iarA-5f0oA:
18.68
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.
5ket ALDO-KETO REDUCTASE
1

(Coptotermes
gestroi) 		PF00248
(Aldo_ket_red) 		5 VAL A  79
PHE A  10
SER A 162
LEU A 165
THR A 210
 None
 1.48A 4iarA-5ketA:
undetectable		 4iarA-5ketA:
19.46
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 VAL A 561
ALA A  81
PHE A 609
LEU A 549
PHE A 557
 None
 1.42A 4iarA-5ldnA:
undetectable		 4iarA-5ldnA:
18.63
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.
5n2g DNA POLYMERASE

(Vaccinia virus) 		no annotation 5 TRP A 940
PHE A 972
MET A 842
LEU A 889
PHE A 838
 None
 1.13A 4iarA-5n2gA:
undetectable		 4iarA-5n2gA:
10.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		5 LEU A 456
ASP A 455
ALA A 153
SER A 122
THR A 525
 None
 1.30A 4iarA-5nthA:
undetectable		 4iarA-5nthA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 7 ASP A 129
CYH A 133
ALA A 216
PHE A 330
LEU A 348
PHE A 351
THR A 355
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 ( 3.9A)
89F  A1201 (-4.1A)
None
None
89F  A1201 (-4.0A)
 0.74A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 6 ASP A 129
CYH A 133
ALA A 216
TRP A 327
PHE A 330
LEU A 348
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 ( 3.9A)
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
None
 0.87A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 6 ASP A 129
CYH A 133
PHE A 330
MET A 337
PHE A 351
THR A 355
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 (-4.1A)
None
None
89F  A1201 (-4.0A)
 1.17A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 5 ASP A 129
CYH A 133
TRP A 327
PHE A 330
MET A 337
 89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
None
 1.19A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 6 CYH A 133
PHE A 330
SER A 334
LEU A 348
PHE A 351
THR A 355
 89F  A1201 (-4.5A)
89F  A1201 (-4.1A)
89F  A1201 ( 4.2A)
None
None
89F  A1201 (-4.0A)
 0.95A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 5 CYH A 133
TRP A 327
PHE A 330
SER A 334
LEU A 348
 89F  A1201 (-4.5A)
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
89F  A1201 ( 4.2A)
None
 0.93A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 8 LEU A 126
ASP A 129
CYH A 133
VAL A 201
ALA A 216
PHE A 330
LEU A 348
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
None
89F  A1201 ( 3.9A)
89F  A1201 (-4.1A)
None
89F  A1201 (-4.0A)
 0.83A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 7 LEU A 126
ASP A 129
CYH A 133
VAL A 201
PHE A 330
MET A 337
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-3.3A)
89F  A1201 (-4.5A)
None
89F  A1201 (-4.1A)
None
89F  A1201 (-4.0A)
 1.11A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 7 LEU A 126
CYH A 133
VAL A 201
PHE A 330
SER A 334
LEU A 348
THR A 355
 89F  A1201 (-4.9A)
89F  A1201 (-4.5A)
None
89F  A1201 (-4.1A)
89F  A1201 ( 4.2A)
None
89F  A1201 (-4.0A)
 0.88A 4iarA-5v54A:
41.3		 4iarA-5v54A:
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.
5wax -

(-) 		no annotation 5 LEU A 133
VAL A 120
ALA A 176
PHE A 113
THR A 198
 None
 1.42A 4iarA-5waxA:
2.8		 4iarA-5waxA:
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 ASP A 302
ALA A  49
PHE A 291
LEU A 316
THR A 288
 None
 1.35A 4iarA-5wgcA:
undetectable		 4iarA-5wgcA:
11.73
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.
5xnp LEUCINE-RICH REPEAT
AND FIBRONECTIN
TYPE-III
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		no annotation 5 LEU A 207
VAL A 202
ALA A 219
PHE A 191
THR A 190
 None
 1.11A 4iarA-5xnpA:
undetectable		 4iarA-5xnpA:
11.73
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.
6b3x CLEAVAGE STIMULATION
FACTOR SUBUNIT 1

(Homo sapiens) 		no annotation 5 ASP A 372
CYH A 379
VAL A 354
ALA A 359
TRP A 381
 None
 1.20A 4iarA-6b3xA:
undetectable		 4iarA-6b3xA:
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.
6cjq -

(-) 		no annotation 5 LEU A 112
CYH A 153
SER A 105
LEU A  93
THR A  33
 PGW  A 505 ( 4.7A)
None
None
None
None
 1.42A 4iarA-6cjqA:
4.3		 4iarA-6cjqA:
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 ASP A 114
CYH A 118
TRP A 386
PHE A 389
THR A 412
 8NU  A2001 ( 3.0A)
8NU  A2001 ( 4.0A)
8NU  A2001 ( 3.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 3.8A)
 0.83A 4iarA-6cm4A:
27.5		 4iarA-6cm4A:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 5 CYH S 133
TRP S 327
PHE S 330
MET S 337
THR S 355
 EP5  S 401 (-4.2A)
None
EP5  S 401 (-4.0A)
EP5  S 401 (-4.0A)
None
 1.50A 4iarA-6g79S:
34.6		 4iarA-6g79S:
95.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 8 LEU S 126
ASP S 129
CYH S 133
VAL S 201
ALA S 216
TRP S 327
PHE S 330
THR S 355
 None
EP5  S 401 (-3.3A)
EP5  S 401 (-4.2A)
EP5  S 401 (-4.1A)
EP5  S 401 ( 4.0A)
None
EP5  S 401 (-4.0A)
None
 0.62A 4iarA-6g79S:
34.6		 4iarA-6g79S:
95.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 7 LEU S 126
ASP S 129
CYH S 133
VAL S 201
ALA S 216
TRP S 327
SER S 334
 None
EP5  S 401 (-3.3A)
EP5  S 401 (-4.2A)
EP5  S 401 (-4.1A)
EP5  S 401 ( 4.0A)
None
EP5  S 401 (-3.6A)
 0.81A 4iarA-6g79S:
34.6		 4iarA-6g79S:
95.18
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.
6gui -

(-) 		no annotation 5 LEU A 279
CYH A 167
VAL A 275
ALA A 154
SER A 206
 None
 1.30A 4iarA-6guiA:
undetectable		 4iarA-6guiA:
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.
1bpo PROTEIN (CLATHRIN)

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link)
PF13838
(Clathrin_H_link) 		4 ILE A  40
THR A  29
PHE A 304
ASP A  35
 None
 0.99A 4iarA-1bpoA:
undetectable		 4iarA-1bpoA:
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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		4 ILE A 151
THR A 155
VAL A  70
ASP A  84
 None
 1.10A 4iarA-1eg3A:
undetectable		 4iarA-1eg3A:
19.70
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 4 ILE Y 313
THR Y 380
SER Y 329
ASP Y 409
 ACP  Y 601 (-3.9A)
None
ACP  Y 601 (-3.0A)
None
 1.18A 4iarA-1gllY:
undetectable		 4iarA-1gllY:
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.
1mco IGG1 MCG INTACT
ANTIBODY (HEAVY
CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  50
VAL H  94
SER H  37
PHE H  80
 None
 1.29A 4iarA-1mcoH:
undetectable		 4iarA-1mcoH:
22.29
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.
1o0x METHIONINE
AMINOPEPTIDASE

(Thermotoga
maritima) 		PF00557
(Peptidase_M24) 		4 ILE A  96
THR A 121
VAL A  80
ASP A 214
 None
 1.26A 4iarA-1o0xA:
undetectable		 4iarA-1o0xA:
20.20
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 ILE A 332
VAL A 342
PHE A  17
ASP A  41
 None
 1.37A 4iarA-1p1mA:
undetectable		 4iarA-1p1mA:
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		4 ILE H   3
THR H   1
VAL H 121
ASP H 124
 None
 0.90A 4iarA-1q5rH:
undetectable		 4iarA-1q5rH:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5t VPS36P
DEFECTIVE IN
VACUOLAR PROTEIN
SORTING

(Saccharomyces
cerevisiae) 		PF04157
(EAP30) 		4 ILE B 435
THR B 528
VAL B 478
ASP B 493
 None
 1.23A 4iarA-1u5tB:
undetectable		 4iarA-1u5tB:
17.28
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.
1vpl ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 ILE A 212
THR A 215
PHE A  32
ASP A 159
 None
 1.17A 4iarA-1vplA:
undetectable		 4iarA-1vplA:
20.15
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.
1wy0 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00348
(polyprenyl_synt) 		4 ILE A 246
THR A 244
PHE A 266
ASP A 255
 None
 1.09A 4iarA-1wy0A:
4.0		 4iarA-1wy0A:
21.84
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.
1ypf GMP REDUCTASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		4 ILE A  53
VAL A  41
SER A 239
ASP A 118
 None
 1.26A 4iarA-1ypfA:
undetectable		 4iarA-1ypfA:
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.
1zao RIO2 SERINE KINASE

(Archaeoglobus
fulgidus) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		4 ILE A 148
VAL A 124
SER A  81
ASP A 235
 None
None
None
ATP  A 286 ( 2.5A)
 1.20A 4iarA-1zaoA:
undetectable		 4iarA-1zaoA:
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ILE A 257
THR A 343
VAL A 321
ASP A 293
 None
 1.39A 4iarA-2h88A:
3.5		 4iarA-2h88A:
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.
2jyz CG7054-PA

(Drosophila
melanogaster) 		PF01161
(PBP) 		4 ILE A 131
THR A 128
VAL A 101
PHE A 147
 None
 1.20A 4iarA-2jyzA:
undetectable		 4iarA-2jyzA:
17.09
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.
2o62 HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		PF12204
(DUF3598) 		4 TRP A 238
ILE A 122
THR A 120
VAL A  98
 None
 1.29A 4iarA-2o62A:
undetectable		 4iarA-2o62A:
19.71
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TRP A 684
ILE A 687
THR A 766
ASP A 616
 None
 1.12A 4iarA-2okxA:
2.7		 4iarA-2okxA:
19.03
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  36
THR A  19
VAL A 361
SER A 304
 None
 1.16A 4iarA-2qgyA:
undetectable		 4iarA-2qgyA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uu7 GLUTAMINE SYNTHETASE

(Canis lupus) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ILE A  33
THR A 111
VAL A 220
ASP A 213
 None
 1.36A 4iarA-2uu7A:
undetectable		 4iarA-2uu7A:
19.91
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.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		4 ILE A  82
THR A  86
VAL A 101
PHE A 139
 None
 1.13A 4iarA-2vhhA:
undetectable		 4iarA-2vhhA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		4 ILE A 234
THR A  75
PHE A  82
ASP A  90
 None
 1.09A 4iarA-2zktA:
undetectable		 4iarA-2zktA:
22.61
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.
3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT

(Hydrogenovibrio
marinus) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		4 ILE B  78
THR B  13
VAL B  81
ASP B  52
 None
 1.15A 4iarA-3ayxB:
undetectable		 4iarA-3ayxB:
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.
3cob KINESIN HEAVY
CHAIN-LIKE PROTEIN

(Solanum
tuberosum) 		PF00225
(Kinesin) 		4 ILE A 980
THR A 990
VAL A1185
ASP A 935
 None
 1.29A 4iarA-3cobA:
undetectable		 4iarA-3cobA:
19.46
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.
3e9d ZGC:56074

(Danio rerio) 		PF00300
(His_Phos_1) 		4 ILE A   8
SER A 182
PHE A 135
ASP A 197
 None
 1.39A 4iarA-3e9dA:
undetectable		 4iarA-3e9dA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ILE A 111
THR A 120
PHE A 104
ASP A 311
 None
 1.34A 4iarA-3efmA:
undetectable		 4iarA-3efmA:
20.30
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.
3i3a ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Leptospira
interrogans) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 THR A 256
VAL A 216
SER A 180
ASP A 229
 None
 1.37A 4iarA-3i3aA:
undetectable		 4iarA-3i3aA:
19.35
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.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		4 ILE A 188
VAL A 358
SER A 192
PHE A 329
 GOL  A 511 ( 4.3A)
None
None
None
 1.22A 4iarA-3ivrA:
undetectable		 4iarA-3ivrA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j97 VESICLE-FUSING
ATPASE

(Cricetulus
griseus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		4 THR A 534
VAL A 628
SER A 662
ASP A 590
 None
 1.29A 4iarA-3j97A:
undetectable		 4iarA-3j97A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kw7 LACCASE B

(Trametes sp.
AH28-2) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ILE A 386
THR A 433
VAL A 392
PHE A 466
 None
 1.27A 4iarA-3kw7A:
undetectable		 4iarA-3kw7A:
24.29
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.
3lzk FUMARYLACETOACETATE
HYDROLASE FAMILY
PROTEIN

(Sinorhizobium
meliloti) 		PF01557
(FAA_hydrolase) 		4 ILE A 177
VAL A  91
SER A 172
PHE A 305
 None
 1.21A 4iarA-3lzkA:
undetectable		 4iarA-3lzkA:
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.
3noj 4-CARBOXY-4-HYDROXY-
2-OXOADIPATE
ALDOLASE/OXALOACETAT
E DECARBOXYLASE

(Pseudomonas
putida) 		PF03737
(RraA-like) 		4 ILE A 164
THR A  63
SER A  90
ASP A 173
 None
 1.29A 4iarA-3nojA:
undetectable		 4iarA-3nojA:
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.
3o60 LIN0861 PROTEIN

(Listeria
innocua) 		no annotation 4 ILE A  97
THR A 100
PHE A 108
ASP A 122
 None
 1.39A 4iarA-3o60A:
undetectable		 4iarA-3o60A:
20.73
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ILE A 539
THR A 541
VAL A 559
PHE A 521
 None
 0.89A 4iarA-3ogrA:
undetectable		 4iarA-3ogrA:
17.56
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.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 ILE A  33
THR A  40
VAL A  24
ASP A  28
 None
 1.18A 4iarA-3p54A:
undetectable		 4iarA-3p54A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TRP A 109
THR A 118
SER A 203
PHE A 290
 None
None
ERC  A1201 (-2.8A)
ERC  A1201 (-4.8A)
 0.57A 4iarA-3pdsA:
29.2		 4iarA-3pdsA:
30.62
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE

(Alteromonas
macleodii) 		PF00557
(Peptidase_M24) 		4 ILE A 422
THR A 259
VAL A 286
ASP A 439
 None
 1.39A 4iarA-3rvaA:
undetectable		 4iarA-3rvaA:
23.81
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF12134
(PRP8_domainIV) 		4 ILE A2259
VAL A2184
PHE A2349
ASP A2343
 None
 1.06A 4iarA-3sbgA:
undetectable		 4iarA-3sbgA:
22.81
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		4 TRP A1070
ILE A1019
THR A1012
VAL A1026
 None
 1.39A 4iarA-3sfzA:
undetectable		 4iarA-3sfzA:
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 ILE A  62
VAL A 162
SER A  58
ASP A  72
 None
 0.84A 4iarA-3sqzA:
undetectable		 4iarA-3sqzA:
21.46
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 ILE A  16
THR A 415
VAL A  44
ASP A 338
 None
 0.86A 4iarA-3tktA:
undetectable		 4iarA-3tktA:
22.45
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ILE A 127
THR A 173
VAL A 393
SER A 530
 None
 1.38A 4iarA-3uszA:
undetectable		 4iarA-3uszA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		4 TRP A 174
ILE A 181
VAL A 192
PHE A 106
 None
 1.28A 4iarA-4au7A:
undetectable		 4iarA-4au7A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgd PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT) 		4 ILE C2259
VAL C2184
PHE C2349
ASP C2343
 None
 1.14A 4iarA-4bgdC:
undetectable		 4iarA-4bgdC:
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.
4d0k A-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Chaetomium
thermophilum) 		no annotation 4 ILE A 299
THR A 257
VAL A   8
ASP A   4
 None
 1.28A 4iarA-4d0kA:
undetectable		 4iarA-4d0kA:
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.
4frz KINESIN-LIKE
CALMODULIN-BINDING
PROTEIN

(Arabidopsis
thaliana) 		PF00225
(Kinesin) 		4 ILE A 980
THR A 990
VAL A1185
ASP A 935
 None
 1.30A 4iarA-4frzA:
undetectable		 4iarA-4frzA:
20.91
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.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		4 TRP A 109
THR A 118
SER A 203
PHE A 262
 None
CAU  A 500 ( 4.7A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.6A)
 0.76A 4iarA-4gbrA:
29.5		 4iarA-4gbrA:
29.83
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 11
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22

(Schizosaccharomyces
pombe) 		PF06179
(Med22)
PF10156
(Med17)
no annotation 		4 THR K  64
VAL Q 197
SER K  36
ASP V  72
 None
 1.40A 4iarA-4h63K:
3.7		 4iarA-4h63K:
14.14
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.
4hf7 PUTATIVE
ACYLHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13472
(Lipase_GDSL_2) 		4 ILE A  63
THR A 115
VAL A  68
PHE A  93
 OSE  A  62 ( 4.3A)
OSE  A  62 ( 4.4A)
None
None
 1.04A 4iarA-4hf7A:
undetectable		 4iarA-4hf7A:
19.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		4 TRP A 131
THR A 140
VAL A 208
PHE A 341
 None
ERM  A2001 (-3.9A)
ERM  A2001 (-4.0A)
None
 0.52A 4iarA-4ib4A:
33.2		 4iarA-4ib4A:
49.54
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.
4iiv 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		4 ILE A 160
THR A 164
VAL A 107
SER A  86
 None
 1.31A 4iarA-4iivA:
undetectable		 4iarA-4iivA:
20.29
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.
4iyj GDSL-LIKE PROTEIN

(Bacteroides
uniformis) 		PF13472
(Lipase_GDSL_2) 		4 ILE A  55
THR A 107
VAL A  60
PHE A  85
 UNL  A 301 ( 4.8A)
UNL  A 301 ( 3.8A)
None
None
 1.02A 4iarA-4iyjA:
undetectable		 4iarA-4iyjA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3c RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Sinorhizobium
meliloti) 		PF04452
(Methyltrans_RNA) 		4 ILE A 237
THR A 240
VAL A  84
ASP A 163
 None
 1.39A 4iarA-4j3cA:
undetectable		 4iarA-4j3cA:
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.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Mus musculus) 		PF00069
(Pkinase) 		4 TRP A 205
ILE A 246
THR A 278
ASP A 288
 None
 1.40A 4iarA-4jlcA:
2.5		 4iarA-4jlcA:
19.75
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 4 ILE E 478
THR E 480
PHE E 452
ASP E 229
 None
 1.10A 4iarA-4kprE:
undetectable		 4iarA-4kprE:
22.24
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		4 TRP A1109
THR A1118
SER A1203
PHE A1290
 None
None
P0G  A1401 (-2.9A)
P0G  A1401 ( 4.9A)
 0.45A 4iarA-4ldeA:
30.3		 4iarA-4ldeA:
24.24
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.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ILE A  20
VAL A   9
SER A 275
ASP A 250
 None
 1.39A 4iarA-4le5A:
undetectable		 4iarA-4le5A:
22.76
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.
4o6d NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		4 ILE B 308
THR B 302
VAL B 285
ASP B 278
 None
 1.21A 4iarA-4o6dB:
undetectable		 4iarA-4o6dB:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oie NON-STRUCTURAL
PROTEIN NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		4 ILE A 308
THR A 302
VAL A 285
ASP A 278
 None
 1.20A 4iarA-4oieA:
undetectable		 4iarA-4oieA:
14.83
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.
4p0d TRYPSIN-RESISTANT
SURFACE T6 PROTEIN

(Streptococcus
pyogenes) 		PF16569
(GramPos_pilinBB) 		4 ILE A 380
THR A 394
SER A 198
PHE A 463
 None
 1.35A 4iarA-4p0dA:
undetectable		 4iarA-4p0dA:
21.67
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.
4pd4 CYTOCHROME B

(Saccharomyces
cerevisiae) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 THR C 148
VAL C 264
SER C 170
ASP C 255
 None
 1.16A 4iarA-4pd4C:
4.0		 4iarA-4pd4C:
23.52
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.
4plf LACTATE
DEHYDROGENASE

(Apicomplexa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 THR A 225
VAL A 281
SER A 160
ASP A 309
 None
 1.21A 4iarA-4plfA:
undetectable		 4iarA-4plfA:
22.01
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.
4plh MALATE DEHYDROGENASE

(Apicomplexa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 THR A 216
VAL A 272
SER A 151
ASP A 300
 None
 1.25A 4iarA-4plhA:
undetectable		 4iarA-4plhA:
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		4 TRP A 311
ILE A 343
PHE A  29
ASP A 286
 GOL  A 622 ( 2.8A)
None
None
None
 1.33A 4iarA-4pspA:
undetectable		 4iarA-4pspA:
20.26
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.
4puf E3 UBIQUITIN-PROTEIN
LIGASE SLRP

(Salmonella
enterica) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 ILE A 538
THR A 534
VAL A 550
ASP A 501
 None
 1.14A 4iarA-4pufA:
undetectable		 4iarA-4pufA:
19.75
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.
4r6k SOLUTE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF13416
(SBP_bac_8) 		4 ILE A 318
VAL A 326
PHE A 304
ASP A 101
 None
 1.06A 4iarA-4r6kA:
undetectable		 4iarA-4r6kA:
20.73
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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		4 ILE A  70
VAL A  81
SER A  99
ASP A 123
 None
 1.40A 4iarA-4uriA:
undetectable		 4iarA-4uriA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 ILE A  27
THR A 186
VAL A 144
ASP A 137
 None
 1.39A 4iarA-4wa8A:
undetectable		 4iarA-4wa8A:
21.32
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.
4wat PFRH5

(Plasmodium
falciparum) 		no annotation 4 ILE A 157
VAL A 174
SER A 153
ASP A 218
 None
 1.14A 4iarA-4watA:
1.6		 4iarA-4watA:
19.14
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.
4wia PUTATIVE
FLAGELLA-RELATED
PROTEIN H

(Methanocaldococcus
jannaschii) 		PF06745
(ATPase) 		4 ILE A  32
THR A 186
PHE A 217
ASP A  17
 None
None
None
GOL  A 306 (-3.3A)
 1.33A 4iarA-4wiaA:
undetectable		 4iarA-4wiaA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 4 ILE A 227
THR A 333
VAL A 224
ASP A 401
 None
 1.21A 4iarA-5ah1A:
undetectable		 4iarA-5ah1A:
20.66
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.
5c92 KELCH
DOMAIN-CONTAINING
PROTEIN

(Colletotrichum
graminicola) 		PF01344
(Kelch_1)
PF09118
(DUF1929) 		4 TRP A 184
ILE A 457
THR A 125
VAL A 232
 None
 1.35A 4iarA-5c92A:
undetectable		 4iarA-5c92A:
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.
5e0n ENOYL-COA
HYDRATASE/ISOMERASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 ILE X 132
THR X 192
VAL X 109
PHE X 139
 None
 1.27A 4iarA-5e0nX:
undetectable		 4iarA-5e0nX:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 4 TRP B 117
THR B 126
SER B 211
PHE B 307
 P32  B 400 (-4.8A)
None
P32  B 400 (-2.7A)
P32  B 400 (-4.9A)
 0.58A 4iarA-5f8uB:
30.5		 4iarA-5f8uB:
31.19
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.
5fa1 PUTATIVE N-ACETYL
GLUCOSAMINYL
TRANSFERASE

(Raoultella
terrigena) 		PF05159
(Capsule_synth) 		4 ILE A 298
THR A 243
VAL A 302
ASP A 280
 None
 1.39A 4iarA-5fa1A:
undetectable		 4iarA-5fa1A:
23.74
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.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 ILE A  69
THR A 389
VAL A 436
ASP A 407
 None
 1.20A 4iarA-5fwjA:
undetectable		 4iarA-5fwjA:
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		4 ILE A 375
THR A 331
VAL A  21
ASP A   9
 None
 1.41A 4iarA-5gslA:
undetectable		 4iarA-5gslA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		4 ILE B 370
VAL B 343
PHE B 387
ASP B 316
 None
 1.24A 4iarA-5hz1B:
undetectable		 4iarA-5hz1B:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		4 ILE A 157
THR A 179
VAL A 105
ASP A  37
 None
None
NAD  A 302 (-3.9A)
NAD  A 302 ( 2.9A)
 1.15A 4iarA-5ilgA:
undetectable		 4iarA-5ilgA:
18.54
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.
5jen ANTI-SIGMA-V FACTOR
RSIV

(Bacillus
subtilis) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		4 ILE A 250
THR A 239
VAL A 200
ASP A 194
 None
NA  A 400 (-3.2A)
None
None
 1.27A 4iarA-5jenA:
undetectable		 4iarA-5jenA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ILE A 176
VAL A 144
PHE A 270
ASP A 277
 None
None
None
BGC  A 946 (-2.8A)
 1.15A 4iarA-5ju6A:
undetectable		 4iarA-5ju6A:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 ILE A 251
THR A 254
VAL A 144
ASP A 166
 None
 1.17A 4iarA-5l94A:
undetectable		 4iarA-5l94A:
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 4 ILE A 172
VAL A 140
PHE A 269
ASP A 276
 None
 1.14A 4iarA-5nbsA:
undetectable		 4iarA-5nbsA:
13.19
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.
5o19 GENOME POLYPROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 ILE A 308
THR A 302
VAL A 285
ASP A 278
 None
SO4  A 401 (-3.3A)
None
None
 1.28A 4iarA-5o19A:
undetectable		 4iarA-5o19A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o36 JAPANESE
ENCEPHALITIS VIRUS
NON-STRUCTURAL
PROTEIN 1'
(NS1'),JAPANESE
ENCEPHALITIS VIRUS
NON-STRUCTURAL
PROTEIN 1' (NS1')

(Japanese
encephalitis
virus) 		no annotation 4 ILE A 308
THR A 302
VAL A 285
ASP A 278
 None
SO4  A 503 (-3.0A)
None
None
 1.29A 4iarA-5o36A:
undetectable		 4iarA-5o36A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		4 THR A 314
SER A 338
PHE A 403
ASP A 545
 None
 1.37A 4iarA-5svcA:
undetectable		 4iarA-5svcA:
19.14
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 4 ILE C 268
THR C 112
VAL C 262
ASP C 237
 None
 1.12A 4iarA-5v12C:
undetectable		 4iarA-5v12C:
12.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 5 TRP A 125
ILE A 130
SER A 212
PHE A 331
ASP A 352
 None
89F  A1201 (-4.3A)
89F  A1201 ( 3.8A)
89F  A1201 (-4.6A)
None
 0.58A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 5 TRP A 125
ILE A 130
THR A 134
SER A 212
ASP A 352
 None
89F  A1201 (-4.3A)
89F  A1201 (-4.2A)
89F  A1201 ( 3.8A)
None
 0.47A 4iarA-5v54A:
41.3		 4iarA-5v54A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Homo sapiens;
Spodoptera
frugiperda) 		no annotation 5 TRP A 125
ILE A 130
THR A 134
VAL A 200
SER A 212
 None
89F  A1201 (-4.3A)
89F  A1201 (-4.2A)
None
89F  A1201 ( 3.8A)
 0.64A 4iarA-5v54A:
41.3		 4iarA-5v54A:
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.
5w0x TIP41-LIKE PROTEIN

(Mus musculus) 		no annotation 4 ILE A  65
VAL A  54
PHE A 179
ASP A  12
 None
 1.24A 4iarA-5w0xA:
undetectable		 4iarA-5w0xA:
11.17
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.
5x55 PROBABLE URACIL-DNA
GLYCOSYLASE

(Acanthamoeba
polyphaga
mimivirus) 		PF03167
(UDG) 		4 ILE A 254
THR A 276
VAL A 177
PHE A 137
 None
 1.34A 4iarA-5x55A:
undetectable		 4iarA-5x55A:
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.
5xbf HARMONIN
UNCONVENTIONAL
MYOSIN-VIIB

(Homo sapiens) 		PF00373
(FERM_M)
PF00595
(PDZ)
PF00784
(MyTH4) 		4 ILE A2038
THR A2006
VAL A2025
ASP B 547
 None
 1.03A 4iarA-5xbfA:
undetectable		 4iarA-5xbfA:
21.44
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.
5y83 MEMBRANE PROTEIN
INSERTASE YIDC

(Thermotoga
maritima) 		no annotation 4 ILE A 118
THR A  37
VAL A 128
PHE A  54
 None
 1.30A 4iarA-5y83A:
undetectable		 4iarA-5y83A:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 ILE A  33
THR A  40
VAL A  24
ASP A  28
 None
 1.16A 4iarA-5ywpA:
undetectable		 4iarA-5ywpA:
13.42
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.
5zq4 SIDE

(Legionella
pneumophila) 		no annotation 4 ILE B 325
THR B 236
VAL B 399
PHE B 229
 None
 1.32A 4iarA-5zq4B:
undetectable		 4iarA-5zq4B:
10.83
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 4 TRP A 130
THR A 139
VAL A 208
PHE A 328
 None
E2J  A1201 (-4.3A)
None
E2J  A1201 (-4.4A)
 0.82A 4iarA-6bqhA:
29.6		 4iarA-6bqhA:
9.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 4 TRP A 130
THR A 139
VAL A 208
SER A 219
 None
E2J  A1201 (-4.3A)
None
E2J  A1201 (-3.2A)
 0.82A 4iarA-6bqhA:
29.6		 4iarA-6bqhA:
9.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ci9 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ILE A  19
THR A 192
VAL A 140
PHE A  95
 NAP  A 301 (-3.8A)
NAP  A 301 (-2.9A)
None
F3V  A 302 (-3.8A)
 0.81A 4iarA-6ci9A:
undetectable		 4iarA-6ci9A:
12.36
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 THR A 381
VAL A 340
SER A 384
ASP A 361
 None
None
SO4  A 502 (-2.7A)
None
 1.23A 4iarA-6fyvA:
2.1		 4iarA-6fyvA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 4 TRP S 125
ILE S 130
SER S 212
PHE S 331
 None
EP5  S 401 (-4.2A)
EP5  S 401 (-3.3A)
EP5  S 401 (-4.7A)
 0.74A 4iarA-6g79S:
34.6		 4iarA-6g79S:
95.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 4 TRP S 125
ILE S 130
THR S 134
PHE S 331
 None
EP5  S 401 (-4.2A)
EP5  S 401 (-3.8A)
EP5  S 401 (-4.7A)
 0.43A 4iarA-6g79S:
34.6		 4iarA-6g79S:
95.18