SIMILAR PATTERNS OF AMINO ACIDS FOR 3ILU_B_HFZB800_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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		5 SER A  61
LEU A  38
ILE A  18
SER A  88
GLY A  19
 None
 1.43A 3iluB-1b5fA:
0.0
3iluE-1b5fA:
0.0		 3iluB-1b5fA:
21.35
3iluE-1b5fA:
21.35
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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 LEU A 126
ILE A  31
SER A 109
SER A 105
GLY A 110
 1BH  A 300 (-4.0A)
None
None
None
None
 1.34A 3iluB-1bh6A:
0.0
3iluE-1bh6A:
0.0		 3iluB-1bh6A:
22.45
3iluE-1bh6A:
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.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 LEU A  53
ILE A 231
PRO A 124
SER A 126
SER A 236
 None
None
None
PO4  A 600 (-2.5A)
None
 1.41A 3iluB-1eufA:
0.0
3iluE-1eufA:
0.0		 3iluB-1eufA:
21.01
3iluE-1eufA:
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.
1g0u PROTEASOME COMPONENT
PUP2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LYS D 163
LEU D 137
ILE D 165
SER D 167
GLY D 166
 None
 1.41A 3iluB-1g0uD:
0.0
3iluE-1g0uD:
0.0		 3iluB-1g0uD:
20.60
3iluE-1g0uD:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 PRO A 197
SER A 200
LEU A1017
SER A 219
GLY A 164
 None
 1.12A 3iluB-1hwwA:
0.0
3iluE-1hwwA:
0.0		 3iluB-1hwwA:
13.99
3iluE-1hwwA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 5 PRO A 304
SER A 269
ILE A 287
PRO A  16
GLY A 288
 None
 1.25A 3iluB-1juhA:
0.0
3iluE-1juhA:
0.0		 3iluB-1juhA:
22.04
3iluE-1juhA:
22.04
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 198
SER A 317
ILE A 190
SER A 273
GLY A 288
 None
 1.10A 3iluB-1ldnA:
0.0
3iluE-1ldnA:
0.0		 3iluB-1ldnA:
20.92
3iluE-1ldnA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LYS A 192
LEU A 225
ILE A 188
SER A 198
GLY A 187
 None
 1.28A 3iluB-1lvlA:
0.0
3iluE-1lvlA:
0.0		 3iluB-1lvlA:
20.71
3iluE-1lvlA:
20.71
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 SER A 341
LEU A 368
ILE A 171
SER A 198
GLY A 172
 None
 1.03A 3iluB-1mpxA:
0.1
3iluE-1mpxA:
0.2		 3iluB-1mpxA:
17.70
3iluE-1mpxA:
17.70
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.
1okc ADP, ATP CARRIER
PROTEIN HEART
ISOFORM T1

(Bos taurus) 		PF00153
(Mito_carr) 		5 LEU A 127
SER A 126
ILE A 183
SER A 118
GLY A 119
 CXT  A 401 (-4.1A)
CXT  A 401 ( 4.9A)
CXT  A 401 (-4.8A)
None
None
 1.32A 3iluB-1okcA:
undetectable
3iluE-1okcA:
undetectable		 3iluB-1okcA:
23.49
3iluE-1okcA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ou0 PRECORRIN-8X
METHYLMUTASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF02570
(CbiC) 		5 PRO A 138
SER A 116
ILE A 134
PRO A 162
GLY A 135
 None
 1.20A 3iluB-1ou0A:
undetectable
3iluE-1ou0A:
undetectable		 3iluB-1ou0A:
22.85
3iluE-1ou0A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s2n EXTRACELLULAR
SUBTILISIN-LIKE
SERINE PROTEINASE

(Vibrio sp.
PA-44) 		PF00082
(Peptidase_S8) 		5 LEU A 129
ILE A  36
SER A 110
SER A 106
GLY A 111
 None
 1.41A 3iluB-1s2nA:
undetectable
3iluE-1s2nA:
undetectable		 3iluB-1s2nA:
21.52
3iluE-1s2nA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		5 SER A  61
LEU A  38
ILE A  18
SER A  88
GLY A  19
 None
 1.41A 3iluB-1smrA:
undetectable
3iluE-1smrA:
undetectable		 3iluB-1smrA:
20.00
3iluE-1smrA:
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.
1ty4 APOPTOSIS REGULATOR
CED-9
EGG LAYING DEFECTIVE
EGL-1, PROGRAMMED
CELL DEATH ACTIVATOR

(Caenorhabditis
elegans) 		PF00452
(Bcl-2)
PF02180
(BH4)
PF11430
(EGL-1) 		5 SER A 147
LEU C  58
ILE C  54
SER C  48
GLY C  51
 None
 1.33A 3iluB-1ty4A:
undetectable
3iluE-1ty4A:
undetectable		 3iluB-1ty4A:
20.22
3iluE-1ty4A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		5 LYS A 243
SER A 188
LEU A 239
SER A 304
GLY A 216
 None
 1.31A 3iluB-1un9A:
undetectable
3iluE-1un9A:
undetectable		 3iluB-1un9A:
17.87
3iluE-1un9A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yrg GTPASE-ACTIVATING
PROTEIN RNA1_SCHPO

(Schizosaccharomyces
pombe) 		no annotation 5 SER A 257
LEU A 223
ILE A 204
PRO A 201
GLY A 232
 None
 1.31A 3iluB-1yrgA:
undetectable
3iluE-1yrgA:
undetectable		 3iluB-1yrgA:
21.26
3iluE-1yrgA:
21.26
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 LEU A 492
ILE A 300
SER A 295
SER A 485
GLY A 296
 None
 1.28A 3iluB-2e0wA:
undetectable
3iluE-2e0wA:
undetectable		 3iluB-2e0wA:
19.38
3iluE-2e0wA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 SER A 353
LEU A 125
ILE A 121
SER A  36
GLY A 118
 FAD  A1002 (-2.6A)
None
None
FAD  A1002 (-3.7A)
None
 1.40A 3iluB-2e5vA:
undetectable
3iluE-2e5vA:
undetectable		 3iluB-2e5vA:
20.67
3iluE-2e5vA:
20.67
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		5 PRO A 105
LEU A 143
SER A  71
SER A  97
GLY A  98
 None
 1.25A 3iluB-2gezA:
undetectable
3iluE-2gezA:
undetectable		 3iluB-2gezA:
20.23
3iluE-2gezA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpr GLUCOSE-PERMEASE IIA
COMPONENT

(Mycoplasma
capricolum) 		PF00358
(PTS_EIIA_1) 		5 PRO A  47
LEU A  82
ILE A  84
SER A 126
GLY A  85
 None
 1.04A 3iluB-2gprA:
undetectable
3iluE-2gprA:
undetectable		 3iluB-2gprA:
20.92
3iluE-2gprA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2grk EVM001

(Ectromelia
virus) 		PF02250
(Orthopox_35kD) 		5 SER A 116
ILE A  24
PRO A  87
SER A 109
GLY A  23
 None
 1.38A 3iluB-2grkA:
undetectable
3iluE-2grkA:
undetectable		 3iluB-2grkA:
22.01
3iluE-2grkA:
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.
2iel HYPOTHETICAL PROTEIN
TT0030

(Thermus
thermophilus) 		no annotation 5 PRO A  38
LEU A   5
ILE A  88
PRO A  84
SER A 105
 None
 1.43A 3iluB-2ielA:
undetectable
3iluE-2ielA:
undetectable		 3iluB-2ielA:
18.14
3iluE-2ielA:
18.14
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.
2jbh PHOSPHORIBOSYLTRANSF
ERASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00156
(Pribosyltran) 		5 SER A  93
LEU A 138
ILE A  64
SER A 101
GLY A  65
 None
 1.40A 3iluB-2jbhA:
undetectable
3iluE-2jbhA:
undetectable		 3iluB-2jbhA:
22.81
3iluE-2jbhA:
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.
2kin KINESIN

(Rattus
norvegicus) 		PF00225
(Kinesin) 		5 LEU B 292
ILE B 266
SER B 260
SER B 258
GLY B 263
 None
 1.44A 3iluB-2kinB:
undetectable
3iluE-2kinB:
undetectable		 3iluB-2kinB:
19.77
3iluE-2kinB:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mwm PUTATIVE TRP
REPRESSOR BINDING
PROTEIN

(Lactobacillus
acidophilus) 		PF12682
(Flavodoxin_4) 		5 PRO A  94
LEU A  98
ILE A  82
SER A  12
GLY A  83
 None
 1.36A 3iluB-2mwmA:
undetectable
3iluE-2mwmA:
undetectable		 3iluB-2mwmA:
22.39
3iluE-2mwmA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pw9 PUTATIVE FORMATE
DEHYDROGENASE
ACCESSORY PROTEIN

(Desulfotalea
psychrophila) 		PF02634
(FdhD-NarQ) 		5 LEU A 158
SER A 190
ILE A 214
PRO A 215
GLY A 213
 None
 1.35A 3iluB-2pw9A:
undetectable
3iluE-2pw9A:
undetectable		 3iluB-2pw9A:
21.83
3iluE-2pw9A:
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.
2yqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Candida
albicans) 		PF01704
(UDPGP) 		5 SER A 371
LEU A 390
SER A 223
ILE A 388
GLY A 387
 None
 1.37A 3iluB-2yqhA:
undetectable
3iluE-2yqhA:
undetectable		 3iluB-2yqhA:
17.78
3iluE-2yqhA:
17.78
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU B 281
SER B 306
ILE B 283
SER B 339
SER B 337
 None
None
None
NAG  B 951 (-3.3A)
NAG  B 951 ( 4.9A)
 1.32A 3iluB-3a79B:
undetectable
3iluE-3a79B:
undetectable		 3iluB-3a79B:
17.45
3iluE-3a79B:
17.45
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 SER A 460
LEU A 350
ILE A 556
SER A 465
GLY A 486
 None
 1.13A 3iluB-3cdiA:
undetectable
3iluE-3cdiA:
undetectable		 3iluB-3cdiA:
16.67
3iluE-3cdiA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 LYS A 151
PRO A 150
LEU A  88
ILE A 115
SER A  98
 None
 1.37A 3iluB-3clhA:
undetectable
3iluE-3clhA:
undetectable		 3iluB-3clhA:
23.39
3iluE-3clhA:
23.39
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		5 LYS A 480
LEU A 484
ILE A 422
SER A 450
GLY A 421
 None
 1.29A 3iluB-3cuxA:
undetectable
3iluE-3cuxA:
undetectable		 3iluB-3cuxA:
18.71
3iluE-3cuxA:
18.71
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.
3gqj CELL INHIBITING
FACTOR (CIF)

(Photorhabdus
laumondii) 		PF16374
(CIF) 		5 LEU A 278
SER A 160
ILE A 276
SER A 235
GLY A 154
 None
 1.28A 3iluB-3gqjA:
undetectable
3iluE-3gqjA:
undetectable		 3iluB-3gqjA:
21.00
3iluE-3gqjA:
21.00
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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 PRO A 110
SER A 104
LEU A 115
SER A 116
ILE A 122
 None
 1.33A 3iluB-3gybA:
undetectable
3iluE-3gybA:
3.3		 3iluB-3gybA:
21.74
3iluE-3gybA:
21.74
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.
3h3j L-LACTATE
DEHYDROGENASE 1

(Staphylococcus
aureus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 184
SER A 302
ILE A 176
SER A 258
GLY A 273
 None
 1.21A 3iluB-3h3jA:
undetectable
3iluE-3h3jA:
undetectable		 3iluB-3h3jA:
22.35
3iluE-3h3jA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LYS A 104
PRO A 105
SER A 108
LEU A 239
SER A 242
 None
CYZ  A 265 (-3.9A)
CYZ  A 265 (-2.8A)
CYZ  A 265 (-4.7A)
CYZ  A 265 (-2.9A)
 0.65A 3iluB-3h6tA:
43.8
3iluE-3h6tA:
43.3		 3iluB-3h6tA:
100.00
3iluE-3h6tA:
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER A 295
LEU A 407
ILE A 439
SER A 291
GLY A 433
 None
 1.33A 3iluB-3i8bA:
undetectable
3iluE-3i8bA:
undetectable		 3iluB-3i8bA:
20.66
3iluE-3i8bA:
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.
3ihj ALANINE
AMINOTRANSFERASE 2

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 LYS A  85
PRO A  86
LEU A  79
ILE A  75
GLY A 475
 None
 1.32A 3iluB-3ihjA:
undetectable
3iluE-3ihjA:
undetectable		 3iluB-3ihjA:
18.90
3iluE-3ihjA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lg6 PUTATIVE GLUTATHIONE
TRANSFERASE

(Coccidioides
immitis) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		5 SER A  81
LEU A  26
ILE A  22
PRO A 183
GLY A  18
 None
 1.37A 3iluB-3lg6A:
undetectable
3iluE-3lg6A:
undetectable		 3iluB-3lg6A:
21.45
3iluE-3lg6A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 SER A  37
LEU A  82
ILE A  11
SER A  13
GLY A  12
 None
 1.19A 3iluB-3mogA:
undetectable
3iluE-3mogA:
undetectable		 3iluB-3mogA:
20.04
3iluE-3mogA:
20.04
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		5 SER A 134
LEU A 297
SER A 298
ILE A 293
GLY A 291
 None
 1.31A 3iluB-3nd0A:
undetectable
3iluE-3nd0A:
undetectable		 3iluB-3nd0A:
17.20
3iluE-3nd0A:
17.20
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		5 SER A  26
LEU A  78
ILE A  51
SER A  57
GLY A  54
 None
 1.43A 3iluB-3njxA:
undetectable
3iluE-3njxA:
undetectable		 3iluB-3njxA:
16.93
3iluE-3njxA:
16.93
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.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		5 PRO A 108
SER A 231
ILE A 104
PRO A  66
GLY A  94
 None
 1.28A 3iluB-3odgA:
undetectable
3iluE-3odgA:
undetectable		 3iluB-3odgA:
23.12
3iluE-3odgA:
23.12
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.
3pqd L-LACTATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 183
SER A 302
ILE A 175
SER A 258
GLY A 273
 None
 1.18A 3iluB-3pqdA:
undetectable
3iluE-3pqdA:
undetectable		 3iluB-3pqdA:
22.85
3iluE-3pqdA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 PRO A 210
LEU A 207
ILE A 251
PRO A 250
SER A 276
 None
 1.42A 3iluB-3qo7A:
undetectable
3iluE-3qo7A:
undetectable		 3iluB-3qo7A:
19.12
3iluE-3qo7A:
19.12
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.
3qqi HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A  61
ILE A 267
SER A 265
SER A  85
GLY A 266
 None
 1.26A 3iluB-3qqiA:
undetectable
3iluE-3qqiA:
undetectable		 3iluB-3qqiA:
19.00
3iluE-3qqiA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ru6 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF00215
(OMPdecase) 		5 PRO A 178
LEU A   3
ILE A 209
PRO A 208
GLY A 206
 IOD  A 287 ( 4.1A)
None
None
IOD  A 282 ( 4.1A)
IOD  A 284 ( 4.5A)
 1.24A 3iluB-3ru6A:
undetectable
3iluE-3ru6A:
undetectable		 3iluB-3ru6A:
21.63
3iluE-3ru6A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uf6 LMO1369 PROTEIN

(Listeria
monocytogenes) 		PF01515
(PTA_PTB) 		5 SER A 199
LEU A 204
ILE A 208
SER A 222
GLY A 224
 None
 1.12A 3iluB-3uf6A:
undetectable
3iluE-3uf6A:
undetectable		 3iluB-3uf6A:
21.22
3iluE-3uf6A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 SER A 330
LEU A 198
SER A 216
ILE A  11
GLY A  13
 None
 1.22A 3iluB-3vxiA:
undetectable
3iluE-3vxiA:
undetectable		 3iluB-3vxiA:
19.73
3iluE-3vxiA:
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 SER A 407
LEU A 428
ILE A 278
PRO A 273
GLY A 274
 None
None
None
None
SO4  A1882 (-3.1A)
 1.27A 3iluB-4am6A:
undetectable
3iluE-4am6A:
undetectable		 3iluB-4am6A:
17.25
3iluE-4am6A:
17.25
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 PRO A1948
LEU A2260
ILE A2018
PRO A2019
GLY A2017
 None
 1.44A 3iluB-4asiA:
undetectable
3iluE-4asiA:
undetectable		 3iluB-4asiA:
17.56
3iluE-4asiA:
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.
4c9g ADP, ATP CARRIER
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00153
(Mito_carr) 		5 LEU A 142
SER A 141
ILE A 200
SER A 133
GLY A 134
 LEU  A 142 ( 0.6A)
SER  A 141 ( 0.0A)
ILE  A 200 ( 0.7A)
SER  A 133 ( 0.0A)
GLY  A 134 ( 0.0A)
 1.33A 3iluB-4c9gA:
undetectable
3iluE-4c9gA:
undetectable		 3iluB-4c9gA:
22.02
3iluE-4c9gA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 SER A 221
ILE A 235
PRO A 236
SER A 233
GLY A 234
 None
 1.35A 3iluB-4cgnA:
undetectable
3iluE-4cgnA:
undetectable		 3iluB-4cgnA:
20.40
3iluE-4cgnA:
20.40
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.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		5 LEU A  33
SER A  31
ILE A 107
PRO A 109
GLY A 102
 None
 1.35A 3iluB-4gx8A:
undetectable
3iluE-4gx8A:
undetectable		 3iluB-4gx8A:
21.98
3iluE-4gx8A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4itc LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		5 LEU A1045
ILE A 993
PRO A 994
SER A 988
GLY A 992
 None
GAI  A1206 (-4.0A)
GOL  A1207 ( 4.9A)
None
None
 1.39A 3iluB-4itcA:
undetectable
3iluE-4itcA:
undetectable		 3iluB-4itcA:
21.17
3iluE-4itcA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 PRO A 373
SER A 380
ILE A 361
PRO A 362
GLY A 360
 None
 1.38A 3iluB-4j1yA:
undetectable
3iluE-4j1yA:
undetectable		 3iluB-4j1yA:
22.42
3iluE-4j1yA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 LYS A 776
SER A 666
ILE A 782
PRO A 773
GLY A 661
 None
 1.09A 3iluB-4k3cA:
undetectable
3iluE-4k3cA:
undetectable		 3iluB-4k3cA:
20.24
3iluE-4k3cA:
20.24
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 183
SER A 302
ILE A 175
SER A 258
GLY A 273
 None
 1.25A 3iluB-4ln1A:
undetectable
3iluE-4ln1A:
undetectable		 3iluB-4ln1A:
23.84
3iluE-4ln1A:
23.84
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.
4mhc NUCLEOPORIN NUP157

(Saccharomyces
cerevisiae) 		PF08801
(Nucleoporin_N) 		5 LEU A 599
SER A 576
ILE A 506
PRO A 543
GLY A 505
 None
 1.21A 3iluB-4mhcA:
undetectable
3iluE-4mhcA:
undetectable		 3iluB-4mhcA:
15.74
3iluE-4mhcA:
15.74
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.
4r7a HISTONE-BINDING
PROTEIN RBBP4

(Homo sapiens) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 SER B 280
LEU B 306
ILE B 254
SER B 234
GLY B 244
 None
 1.34A 3iluB-4r7aB:
undetectable
3iluE-4r7aB:
undetectable		 3iluB-4r7aB:
19.67
3iluE-4r7aB:
19.67
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.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 LYS A 201
SER A 230
LEU A 217
ILE A 213
GLY A 210
 None
 1.44A 3iluB-4rxtA:
undetectable
3iluE-4rxtA:
2.9		 3iluB-4rxtA:
25.39
3iluE-4rxtA:
25.39
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 PRO A 476
LEU A 557
ILE A 292
PRO A 293
SER A 285
 None
 1.33A 3iluB-4umvA:
undetectable
3iluE-4umvA:
undetectable		 3iluB-4umvA:
16.67
3iluE-4umvA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 SER A1093
ILE A 884
PRO A 933
SER A 952
GLY A 885
 None
 1.32A 3iluB-5a22A:
undetectable
3iluE-5a22A:
undetectable		 3iluB-5a22A:
8.17
3iluE-5a22A:
8.17
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.
5bob TRANSLATION
INITIATION FACTOR 2
(IF-2 GTPASE)

(Streptococcus
suis) 		no annotation 5 LEU A 293
ILE A 287
SER A 317
SER A 189
GLY A 195
 None
 1.31A 3iluB-5bobA:
undetectable
3iluE-5bobA:
undetectable		 3iluB-5bobA:
21.30
3iluE-5bobA:
21.30
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 LEU A 477
SER A 481
ILE A 488
SER A 414
GLY A 487
 None
 1.43A 3iluB-5bs5A:
undetectable
3iluE-5bs5A:
undetectable		 3iluB-5bs5A:
22.19
3iluE-5bs5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cef ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 SER A 351
LEU A  34
ILE A  23
SER A  87
GLY A  19
 None
 1.40A 3iluB-5cefA:
undetectable
3iluE-5cefA:
undetectable		 3iluB-5cefA:
21.32
3iluE-5cefA:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 PRO A 268
LEU A 274
ILE A 299
SER A 294
GLY A 296
 None
 1.44A 3iluB-5dotA:
undetectable
3iluE-5dotA:
undetectable		 3iluB-5dotA:
11.09
3iluE-5dotA:
11.09
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.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 SER A 794
LEU A 750
ILE A 769
SER A 738
GLY A 744
 None
 1.35A 3iluB-5dztA:
undetectable
3iluE-5dztA:
undetectable		 3iluB-5dztA:
12.72
3iluE-5dztA:
12.72
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.
5fby SEPARASE

(Chaetomium
thermophilum) 		PF03568
(Peptidase_C50) 		5 PRO A2020
ILE A2077
PRO A2076
SER A2054
GLY A2024
 None
 1.06A 3iluB-5fbyA:
undetectable
3iluE-5fbyA:
undetectable		 3iluB-5fbyA:
17.94
3iluE-5fbyA:
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.
5g37 41.9 KDA
INSECTICIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		5 LEU A 229
SER A 227
ILE A 175
SER A 173
GLY A 174
 None
 1.19A 3iluB-5g37A:
undetectable
3iluE-5g37A:
undetectable		 3iluB-5g37A:
20.90
3iluE-5g37A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU A 658
ILE A 618
PRO A 619
SER A 615
GLY A 617
 None
 1.43A 3iluB-5gr8A:
undetectable
3iluE-5gr8A:
undetectable		 3iluB-5gr8A:
14.59
3iluE-5gr8A:
14.59
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.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		5 PRO A 248
LEU A  65
ILE A  17
SER A 252
GLY A  13
 None
 1.16A 3iluB-5hn4A:
undetectable
3iluE-5hn4A:
undetectable		 3iluB-5hn4A:
22.16
3iluE-5hn4A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 SER A 300
LEU A 253
ILE A 289
SER A 296
GLY A 290
 None
 1.34A 3iluB-5irpA:
undetectable
3iluE-5irpA:
undetectable		 3iluB-5irpA:
21.64
3iluE-5irpA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 SER A 354
LEU A  93
ILE A  90
SER A 352
GLY A  89
 None
 1.38A 3iluB-5kc8A:
undetectable
3iluE-5kc8A:
undetectable		 3iluB-5kc8A:
19.63
3iluE-5kc8A:
19.63
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 SER A 354
LEU A  93
ILE A  90
SER A 352
GLY A  89
 None
 1.36A 3iluB-5l2eA:
27.8
3iluE-5l2eA:
27.8		 3iluB-5l2eA:
16.59
3iluE-5l2eA:
16.59
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 LEU B 190
ILE B 188
SER B 164
SER B 336
GLY B 187
 None
 1.23A 3iluB-5my0B:
undetectable
3iluE-5my0B:
undetectable		 3iluB-5my0B:
13.95
3iluE-5my0B:
13.95
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.
5n0g PRECORRIN-8X
METHYLMUTASE

(Rhodobacter
capsulatus) 		no annotation 5 PRO A 138
SER A 116
ILE A 134
PRO A 163
GLY A 135
 None
 1.10A 3iluB-5n0gA:
undetectable
3iluE-5n0gA:
undetectable		 3iluB-5n0gA:
15.42
3iluE-5n0gA:
15.42
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 PRO B 192
ILE B 194
SER B 369
SER B 237
GLY B 241
 None
 1.21A 3iluB-5n8nB:
undetectable
3iluE-5n8nB:
undetectable		 3iluB-5n8nB:
14.40
3iluE-5n8nB:
14.40
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 SER B 186
ILE B 194
SER B 369
SER B 237
GLY B 241
 None
 1.21A 3iluB-5n8nB:
undetectable
3iluE-5n8nB:
undetectable		 3iluB-5n8nB:
14.40
3iluE-5n8nB:
14.40
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.
5nkn NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		no annotation 5 PRO A  11
ILE A   8
SER A 158
SER A 156
GLY A 160
 None
 1.42A 3iluB-5nknA:
undetectable
3iluE-5nknA:
undetectable		 3iluB-5nknA:
14.52
3iluE-5nknA:
14.52
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.
5oev GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 22
(GPA-GSS22-APO)

(Globodera
pallida) 		no annotation 5 SER A 192
LEU A 125
ILE A 127
SER A 458
GLY A 441
 None
 1.38A 3iluB-5oevA:
undetectable
3iluE-5oevA:
undetectable		 3iluB-5oevA:
17.05
3iluE-5oevA:
17.05
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.
5oqj SUPPRESSOR OF
STEM-LOOP PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU 6 221
ILE 6 127
SER 6 183
SER 6 186
GLY 6 170
 None
 1.38A 3iluB-5oqj6:
undetectable
3iluE-5oqj6:
undetectable		 3iluB-5oqj6:
13.90
3iluE-5oqj6:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 164
LEU A 299
ILE A 301
SER A 286
GLY A 308
 FAD  A 601 ( 3.9A)
None
None
FAD  A 601 ( 3.8A)
None
 1.36A 3iluB-5u25A:
undetectable
3iluE-5u25A:
undetectable		 3iluB-5u25A:
18.96
3iluE-5u25A:
18.96
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 5 LYS A  28
LEU A  32
SER A  34
ILE A 141
GLY A 338
 None
 0.93A 3iluB-5uj1A:
undetectable
3iluE-5uj1A:
undetectable		 3iluB-5uj1A:
14.92
3iluE-5uj1A:
14.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A 481
PRO A 494
SER A 497
SER A 729
GLY A 731
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-3.2A)
None
None
 0.59A 3iluB-5weoA:
25.3
3iluE-5weoA:
25.2		 3iluB-5weoA:
66.93
3iluE-5weoA:
66.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LYS A 493
PRO A 494
SER A 497
LEU A 751
SER A 754
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-3.2A)
None
CYZ  A1302 ( 4.1A)
 0.89A 3iluB-5weoA:
25.3
3iluE-5weoA:
25.2		 3iluB-5weoA:
66.93
3iluE-5weoA:
66.93
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.
5wix P-47 PROTEIN

(Clostridium
botulinum) 		no annotation 5 LYS A  64
SER A 123
ILE A  85
SER A 126
GLY A 127
 None
 1.35A 3iluB-5wixA:
undetectable
3iluE-5wixA:
undetectable		 3iluB-5wixA:
20.40
3iluE-5wixA:
20.40
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.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		5 SER A  23
LEU A 142
SER A 143
ILE A 138
GLY A 136
 None
 0.98A 3iluB-5wueA:
undetectable
3iluE-5wueA:
undetectable		 3iluB-5wueA:
21.62
3iluE-5wueA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wy4 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 LEU A 193
SER A 197
ILE A 251
SER A 256
GLY A 252
 None
 1.43A 3iluB-5wy4A:
undetectable
3iluE-5wy4A:
undetectable		 3iluB-5wy4A:
15.16
3iluE-5wy4A:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 SER A 120
LEU A 211
ILE A 242
SER A  56
SER A 227
 OP0  A 305 (-2.7A)
None
None
OP0  A 305 (-1.5A)
OP0  A 305 (-2.4A)
 1.38A 3iluB-5x5gA:
undetectable
3iluE-5x5gA:
undetectable		 3iluB-5x5gA:
22.74
3iluE-5x5gA:
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		5 SER A 180
LEU A 190
ILE A 291
SER A 286
GLY A 288
 None
 1.42A 3iluB-5xe0A:
undetectable
3iluE-5xe0A:
undetectable		 3iluB-5xe0A:
21.18
3iluE-5xe0A:
21.18
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.
5yzc GLYCOPROTEIN
F1,MEASLES VIRUS
FUSION PROTEIN

(Measles
morbillivirus) 		no annotation 5 LEU B 246
ILE B 265
PRO B 286
SER B 344
GLY B 264
 None
 1.31A 3iluB-5yzcB:
undetectable
3iluE-5yzcB:
undetectable		 3iluB-5yzcB:
14.40
3iluE-5yzcB:
14.40
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.
6ape BIFUNCTIONAL PROTEIN
FOLD

(Helicobacter
pylori) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 PRO A 143
ILE A 174
PRO A 146
SER A 179
GLY A 175
 None
 1.34A 3iluB-6apeA:
undetectable
3iluE-6apeA:
undetectable		 3iluB-6apeA:
22.96
3iluE-6apeA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bxe VARIABLE LYMPHOCYTE
RECEPTOR DIVERSITY
REGION

(Petromyzon
marinus) 		no annotation 5 LEU A  54
ILE A  47
PRO A  23
SER A  42
GLY A  45
 None
 1.35A 3iluB-6bxeA:
undetectable
3iluE-6bxeA:
undetectable		 3iluB-6bxeA:
14.40
3iluE-6bxeA:
14.40
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.
6caz PEPTIDE DEFORMYLASE

(Legionella
pneumophila) 		no annotation 5 PRO A  50
LEU A   7
SER A  93
ILE A  52
SER A  59
 None
 1.35A 3iluB-6cazA:
undetectable
3iluE-6cazA:
undetectable		 3iluB-6cazA:
15.51
3iluE-6cazA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 LYS A 196
LEU A 229
ILE A 192
SER A 202
GLY A 191
 None
 1.22A 3iluB-6cmzA:
undetectable
3iluE-6cmzA:
undetectable		 3iluB-6cmzA:
18.55
3iluE-6cmzA:
18.55
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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 PRO A 269
LEU A 100
SER A  19
ILE A 184
PRO A 185
 None
 1.44A 3iluB-6cyzA:
undetectable
3iluE-6cyzA:
undetectable		 3iluB-6cyzA:
16.67
3iluE-6cyzA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 LYS E 576
LEU E 580
SER E 582
ILE E 567
PRO E 568
 None
 1.09A 3iluB-6d04E:
undetectable
3iluE-6d04E:
undetectable		 3iluB-6d04E:
22.35
3iluE-6d04E:
22.35
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.
6eo2 TRANSCRIPTIONAL
REGULATORY PROTEIN
RCSB

(Salmonella
enterica) 		no annotation 5 LYS A  72
SER A  38
LEU A 101
ILE A  68
GLY A  67
 None
 1.29A 3iluB-6eo2A:
undetectable
3iluE-6eo2A:
undetectable		 3iluB-6eo2A:
25.76
3iluE-6eo2A:
25.76
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 LEU A 138
SER A 139
ILE A 123
PRO A 119
SER A 102
 None
 1.43A 3iluB-6g43A:
undetectable
3iluE-6g43A:
undetectable		 3iluB-6g43A:
17.91
3iluE-6g43A:
17.91
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 LEU A 138
SER A 139
ILE A 123
PRO A 119
SER A 102
 None
 1.44A 3iluB-6g45A:
undetectable
3iluE-6g45A:
undetectable		 3iluB-6g45A:
17.91
3iluE-6g45A:
17.91