SIMILAR PATTERNS OF AMINO ACIDS FOR 4IAR_A_ERMA2001_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.
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