SIMILAR PATTERNS OF AMINO ACIDS FOR 4H1N_A_CGEA505_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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE B 374
PHE A 341
ALA A 347
ILE A  51
VAL B 388
 ACT  B 600 (-4.6A)
None
ACT  B 600 (-3.6A)
None
None
 1.05A 4h1nA-1as4B:
undetectable		 4h1nA-1as4B:
7.28
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.
1e32 P97

(Mus musculus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 ILE A 216
ILE A 254
ALA A 346
ALA A 345
VAL A 258
 None
 1.17A 4h1nA-1e32A:
0.0		 4h1nA-1e32A:
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.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00266
(Aminotran_5) 		5 ILE A 185
LEU A 192
ALA A 147
ALA A 148
ILE A 289
 None
 0.80A 4h1nA-1ecxA:
undetectable		 4h1nA-1ecxA:
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE O 325
ILE O  25
ALA O  18
ILE O   5
VAL O   3
 None
 0.90A 4h1nA-1gaeO:
0.0		 4h1nA-1gaeO:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 ILE A 187
ILE A 146
LEU A 174
ALA A 133
ILE A  93
 None
 1.10A 4h1nA-1gz6A:
undetectable		 4h1nA-1gz6A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 403
ALA A 392
ALA A 389
ILE A 385
VAL A 417
 None
 1.16A 4h1nA-1jscA:
0.0		 4h1nA-1jscA:
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.
1leh LEUCINE
DEHYDROGENASE

(Lysinibacillus
sphaericus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 PHE A 321
ILE A 256
ALA A 161
ALA A 162
VAL A 176
 None
 1.05A 4h1nA-1lehA:
undetectable		 4h1nA-1lehA:
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.
1m6s L-ALLO-THREONINE
ALDOLASE

(Thermotoga
maritima) 		PF01212
(Beta_elim_lyase) 		5 ILE A  36
PHE A 195
LEU A 197
ALA A  43
ALA A  44
 None
 1.05A 4h1nA-1m6sA:
0.0		 4h1nA-1m6sA:
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.
1q5n 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Acinetobacter
calcoaceticus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 PHE A  18
ILE A 237
ALA A 122
THR A 335
ILE A 244
 None
 1.20A 4h1nA-1q5nA:
0.3		 4h1nA-1q5nA:
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.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 LEU A 115
ALA A 262
ALA A 261
ILE A 246
VAL A 244
 None
 0.88A 4h1nA-1sc6A:
undetectable		 4h1nA-1sc6A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta9 GLYCEROL
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00465
(Fe-ADH) 		5 ILE A 414
ILE A 410
ALA A 313
ALA A 314
VAL A 387
 None
 1.21A 4h1nA-1ta9A:
undetectable		 4h1nA-1ta9A:
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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 ILE A  50
ILE A  18
ILE A  64
LEU A  25
ALA A 161
 None
 0.97A 4h1nA-1tcsA:
undetectable		 4h1nA-1tcsA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 ILE A  50
ILE A  64
LEU A  25
ALA A 162
ALA A 161
 None
 0.74A 4h1nA-1tcsA:
undetectable		 4h1nA-1tcsA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 215
ALA A 204
ALA A 201
ILE A 241
VAL A 218
 None
 1.12A 4h1nA-1tkkA:
undetectable		 4h1nA-1tkkA:
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 ILE A 201
ALA A 244
THR A 249
ILE A  79
VAL A  81
 None
 0.94A 4h1nA-1vhkA:
undetectable		 4h1nA-1vhkA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wl1 OCTOPRENYL-DIPHOSPHA
TE SYNTHASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		5 ILE A  23
PHE A 132
ILE A 123
ALA A  69
ALA A  68
 None
 1.01A 4h1nA-1wl1A:
1.0		 4h1nA-1wl1A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 ILE A 158
ILE A  39
ALA A 161
ILE A 167
VAL A 172
 None
 1.15A 4h1nA-1wr8A:
undetectable		 4h1nA-1wr8A:
19.29
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.
1y6l UBIQUITIN-CONJUGATIN
G ENZYME E2E2

(Homo sapiens) 		PF00179
(UQ_con) 		5 ILE A 106
ILE A  99
ILE A  37
ALA A  23
VAL A  67
 None
 0.86A 4h1nA-1y6lA:
undetectable		 4h1nA-1y6lA:
15.88
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.
1zhg BETA
HYDROXYACYL-ACYL
CARRIER PROTEIN
DEHYDRATASE

(Plasmodium
falciparum) 		PF07977
(FabA) 		5 ILE A 146
ILE A 219
LEU A 189
ALA A 193
VAL A 177
 None
 0.87A 4h1nA-1zhgA:
undetectable		 4h1nA-1zhgA:
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.
2ayv UBIQUITIN-CONJUGATIN
G ENZYME E2

(Toxoplasma
gondii) 		PF00179
(UQ_con) 		5 ILE A 106
ILE A  99
ILE A  37
ALA A  23
VAL A  67
 None
UNX  A 153 (-4.9A)
None
None
None
 1.01A 4h1nA-2ayvA:
undetectable		 4h1nA-2ayvA:
16.18
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.
2b67 COG0778:
NITROREDUCTASE

(Streptococcus
pneumoniae) 		PF00881
(Nitroreductase) 		5 LEU A   6
ALA A 142
ALA A  29
ILE A  76
VAL A 179
 None
 1.11A 4h1nA-2b67A:
undetectable		 4h1nA-2b67A:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 ILE A  43
ILE A   6
ALA A  28
ALA A  27
ILE A  75
 None
 1.17A 4h1nA-2dc1A:
undetectable		 4h1nA-2dc1A:
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.
2dcl HYPOTHETICAL UPF0166
PROTEIN PH1503

(Pyrococcus
horikoshii) 		PF02641
(DUF190) 		5 ILE A  83
ILE A  40
ALA A  43
ILE A  90
VAL A  86
 None
None
AMP  A 901 (-4.9A)
None
None
 1.01A 4h1nA-2dclA:
undetectable		 4h1nA-2dclA:
18.93
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.
2e87 HYPOTHETICAL PROTEIN
PH1320

(Pyrococcus
horikoshii) 		PF06858
(NOG1) 		5 ILE A 330
ILE A 323
ALA A 186
ILE A 172
VAL A 170
 None
 0.96A 4h1nA-2e87A:
undetectable		 4h1nA-2e87A:
22.95
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.
2esp UBIQUITIN-CONJUGATIN
G ENZYME E2 D2

(Homo sapiens) 		PF00179
(UQ_con) 		5 ILE A 106
ILE A  99
ILE A  37
ALA A  23
VAL A  67
 None
 1.02A 4h1nA-2espA:
undetectable		 4h1nA-2espA:
14.82
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.
2fsx COG0607:
RHODANESE-RELATED
SULFURTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00581
(Rhodanese) 		5 ILE A  72
ALA A 100
ALA A  97
VAL A  27
VAL A  49
 None
None
None
BR  A 209 (-4.7A)
BR  A 202 ( 4.0A)
 1.14A 4h1nA-2fsxA:
undetectable		 4h1nA-2fsxA:
15.66
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.
2g1k SHIKIMATE KINASE

(Mycobacterium
tuberculosis) 		PF01202
(SKI) 		5 ILE A 162
LEU A  26
ALA A   5
THR A 145
VAL A 148
 None
 1.15A 4h1nA-2g1kA:
undetectable		 4h1nA-2g1kA:
19.83
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.
2g40 CONSERVED
HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF02589
(LUD_dom) 		5 ILE A 130
ALA A  57
ALA A  58
ILE A 209
VAL A 154
 None
 1.12A 4h1nA-2g40A:
undetectable		 4h1nA-2g40A:
18.83
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.
2i00 ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 127
ILE A 359
LEU A 117
ALA A 297
VAL A 366
 None
 0.96A 4h1nA-2i00A:
undetectable		 4h1nA-2i00A:
20.99
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.
2k4y FEOA-LIKE PROTEIN

(Clostridium
acetobutylicum) 		PF04023
(FeoA) 		5 ILE A  44
ILE A  36
LEU A  63
VAL A  16
VAL A  18
 None
 1.06A 4h1nA-2k4yA:
undetectable		 4h1nA-2k4yA:
11.06
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 320
ILE A 339
ILE A 295
LEU A 116
VAL A 318
 None
 1.10A 4h1nA-2o56A:
undetectable		 4h1nA-2o56A:
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.
2r9g AAA ATPASE, CENTRAL
REGION

(Enterococcus
faecium) 		PF12002
(MgsA_C) 		5 ILE A 275
LEU A 310
ALA A 305
ALA A 304
VAL A 320
 None
 1.17A 4h1nA-2r9gA:
undetectable		 4h1nA-2r9gA:
18.22
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ILE A 974
ILE A 977
ILE A 930
ALA A1016
VAL A 932
 None
 1.15A 4h1nA-2vdcA:
undetectable		 4h1nA-2vdcA:
15.00
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.
2wlt L-ASPARAGINASE

(Helicobacter
pylori) 		PF00710
(Asparaginase) 		5 ILE A 248
ILE A 274
LEU A 239
ALA A 263
ILE A 290
 None
 0.97A 4h1nA-2wltA:
undetectable		 4h1nA-2wltA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 ILE A 366
PHE A 694
ALA A 674
ALA A 673
VAL A 362
 None
 1.17A 4h1nA-2xsgA:
undetectable		 4h1nA-2xsgA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bzh UBIQUITIN-CONJUGATIN
G ENZYME E2 E1

(Homo sapiens) 		PF00179
(UQ_con) 		5 ILE A 152
ILE A 145
ILE A  83
ALA A  69
VAL A 113
 None
None
None
None
GOL  A 200 ( 4.3A)
 0.94A 4h1nA-3bzhA:
undetectable		 4h1nA-3bzhA:
15.24
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ILE A 517
ALA A 597
ALA A 596
ILE A 584
VAL A 548
 None
 0.99A 4h1nA-3cf4A:
0.1		 4h1nA-3cf4A:
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.
3d8h GLYCOLYTIC
PHOSPHOGLYCERATE
MUTASE

(Cryptosporidium
parvum) 		PF00300
(His_Phos_1) 		5 LEU A 208
ALA A 200
THR A  84
ILE A  98
VAL A  71
 None
 1.01A 4h1nA-3d8hA:
undetectable		 4h1nA-3d8hA:
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.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		5 ILE A 149
ILE A 191
PHE A 163
ALA A 218
VAL A 374
 None
 1.05A 4h1nA-3dkpA:
undetectable		 4h1nA-3dkpA:
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.
3ib5 SEX PHEROMONE
PRECURSOR

(Lactobacillus
salivarius) 		PF07537
(CamS) 		5 ILE A 172
ILE A 170
LEU A 109
ALA A 211
ILE A 253
 None
 0.80A 4h1nA-3ib5A:
undetectable		 4h1nA-3ib5A:
20.17
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ILE B 306
ILE B 335
ALA B 329
ILE B 342
VAL B 375
 None
 0.92A 4h1nA-3it4B:
undetectable		 4h1nA-3it4B:
19.54
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.
3nd1 PRECORRIN-6A
SYNTHASE/COBF
PROTEIN

(Rhodobacter
capsulatus) 		PF00590
(TP_methylase) 		5 ILE A   9
ILE A  17
ALA A  53
ALA A  52
ILE A  31
 None
 1.12A 4h1nA-3nd1A:
undetectable		 4h1nA-3nd1A:
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.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ILE A 142
ALA A  85
ALA A  84
ILE A  17
VAL A  98
 None
 1.20A 4h1nA-3peiA:
undetectable		 4h1nA-3peiA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pu9 PROTEIN
SERINE/THREONINE
PHOSPHATASE

(Sphaerobacter
thermophilus) 		PF07228
(SpoIIE) 		5 ILE A 157
ALA A 200
ALA A 201
ILE A 164
VAL A 159
 None
 1.14A 4h1nA-3pu9A:
undetectable		 4h1nA-3pu9A:
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 312
ILE A 297
ALA A 336
ALA A 286
ILE A 250
 None
 1.20A 4h1nA-3pv4A:
undetectable		 4h1nA-3pv4A:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tk3 CYTOCHROME P450 2B4

(Oryctolagus
cuniculus) 		PF00067
(p450) 		8 ILE A 101
ILE A 114
ILE A 209
LEU A 238
ALA A 298
THR A 302
ILE A 363
VAL A 367
 CPZ  A 501 (-4.2A)
HEM  A 500 (-4.0A)
None
None
CPZ  A 501 (-3.5A)
CPZ  A 501 ( 3.7A)
HEM  A 500 ( 3.9A)
HEM  A 500 ( 4.3A)
 0.52A 4h1nA-3tk3A:
59.7		 4h1nA-3tk3A:
99.58
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ILE A  96
ALA A 126
ALA A 127
ILE A 103
VAL A  43
 ILE  A  96 ( 0.7A)
ALA  A 126 ( 0.0A)
ALA  A 127 ( 0.0A)
ILE  A 103 ( 0.7A)
VAL  A  43 ( 0.6A)
 1.10A 4h1nA-3ulkA:
0.7		 4h1nA-3ulkA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv7 HMD CO-OCCURRING
PROTEIN HCGE

(Methanothermobacter
marburgensis) 		PF00899
(ThiF) 		5 ILE A 121
ILE A 100
ALA A 130
ALA A 131
VAL A  19
 None
None
None
None
ADP  A 301 ( 4.9A)
 1.08A 4h1nA-3wv7A:
undetectable		 4h1nA-3wv7A:
18.94
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		5 ILE A 249
ALA A  30
ALA A  27
ILE A  41
VAL A  39
 None
 1.14A 4h1nA-4bi5A:
undetectable		 4h1nA-4bi5A:
18.12
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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ILE A  37
LEU A 134
ALA A  57
ALA A  56
VAL A  31
 None
 1.11A 4h1nA-4bkoA:
undetectable		 4h1nA-4bkoA:
23.41
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.
4c82 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Plasmodium
falciparum) 		PF02542
(YgbB) 		5 ILE A 197
LEU A 158
ILE A 186
VAL A 179
VAL A 210
 None
 1.13A 4h1nA-4c82A:
undetectable		 4h1nA-4c82A:
18.18
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.
4d3g PSTA

(Staphylococcus
aureus) 		PF06153
(CdAMP_rec) 		5 ILE A  60
ILE A   4
ALA A  27
VAL A   8
VAL A  98
 None
 1.09A 4h1nA-4d3gA:
undetectable		 4h1nA-4d3gA:
12.94
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.
4fd0 LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 ILE A 260
ILE A 244
ALA A 293
ILE A 277
VAL A 280
 None
 0.89A 4h1nA-4fd0A:
undetectable		 4h1nA-4fd0A:
23.14
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.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 ILE A 260
ILE A 244
ALA A 293
ILE A 277
VAL A 280
 None
 0.85A 4h1nA-4fdwA:
undetectable		 4h1nA-4fdwA:
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 ILE A 170
ILE A 200
ALA A 204
THR A 208
VAL A 168
 None
 0.97A 4h1nA-4gt6A:
undetectable		 4h1nA-4gt6A:
20.70
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.
4ii2 UBIQUITIN-CONJUGATIN
G ENZYME E2 4

(Schizosaccharomyces
pombe) 		PF00179
(UQ_con) 		5 ILE C 106
ILE C  99
ILE C  37
ALA C  23
VAL C  67
 None
 1.06A 4h1nA-4ii2C:
undetectable		 4h1nA-4ii2C:
16.05
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.
4iws PA0254

(Pseudomonas
aeruginosa) 		PF01977
(UbiD) 		5 ILE A  54
ILE A  37
ALA A  30
ILE A 308
VAL A  63
 None
 0.77A 4h1nA-4iwsA:
undetectable		 4h1nA-4iwsA:
23.26
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.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		5 ILE A 202
ILE A 217
ALA A 238
ILE A 221
VAL A 198
 None
 1.11A 4h1nA-4l4qA:
undetectable		 4h1nA-4l4qA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lf0 ALIPHATIC AMIDASE

(Bacillus sp.
(in: Bacteria)) 		PF00795
(CN_hydrolase) 		5 ILE A 186
LEU A 121
ALA A 183
ILE A 263
VAL A 258
 None
 1.04A 4h1nA-4lf0A:
undetectable		 4h1nA-4lf0A:
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.
4m2j AMINOTRANSFERASE

(Streptomyces
lavendulae) 		PF00155
(Aminotran_1_2) 		5 ILE A  73
ALA A 195
ALA A 196
THR A 226
VAL A 270
 None
None
PLP  A 401 ( 3.9A)
None
None
 1.15A 4h1nA-4m2jA:
undetectable		 4h1nA-4m2jA:
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 ILE A 301
ILE A 296
ALA A 409
ALA A 410
VAL A 329
 None
 1.17A 4h1nA-4nqyA:
undetectable		 4h1nA-4nqyA:
19.61
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.
4nx9 FLAGELLIN

(Pseudomonas
aeruginosa) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C) 		5 ILE A 261
ALA A 222
ALA A 234
ILE A 194
VAL A 259
 None
 1.07A 4h1nA-4nx9A:
undetectable		 4h1nA-4nx9A:
21.81
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		5 ILE A 244
ALA A 264
ALA A 263
ILE A  63
VAL A  65
 None
 1.02A 4h1nA-4p47A:
undetectable		 4h1nA-4p47A:
23.77
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.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		5 ILE A  91
ILE A  82
ALA A  58
ALA A  57
VAL A  80
 None
 0.88A 4h1nA-4pmhA:
undetectable		 4h1nA-4pmhA:
21.27
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.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ILE A 188
PHE A 271
ILE A 236
ALA A 245
ALA A 244
 None
 1.07A 4h1nA-4pysA:
undetectable		 4h1nA-4pysA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhz PUTATIVE GLYCOSYL
HYDROLASE

(Parabacteroides
distasonis) 		PF06439
(DUF1080) 		5 ILE A 189
ILE A 140
THR A 227
ILE A 223
VAL A 208
 None
 1.18A 4h1nA-4qhzA:
undetectable		 4h1nA-4qhzA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlz SJCHGC07024 PROTEIN

(Schistosoma
japonicum) 		PF00719
(Pyrophosphatase) 		5 ILE A 122
ILE A  88
ILE A 154
ALA A 182
VAL A 172
 None
 0.99A 4h1nA-4qlzA:
undetectable		 4h1nA-4qlzA:
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.
4r9x COPPER HOMEOSTASIS
PROTEIN CUTC

(Bacillus
anthracis) 		PF03932
(CutC) 		5 ILE A  23
ILE A 212
ILE A  50
ALA A  18
VAL A  48
 None
 1.00A 4h1nA-4r9xA:
undetectable		 4h1nA-4r9xA:
19.83
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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		5 ILE A  94
ILE A 109
LEU A  82
ALA A 106
ILE A 135
 None
 1.09A 4h1nA-4rk2A:
undetectable		 4h1nA-4rk2A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 PHE A  33
LEU A  35
ALA A 331
ALA A 332
ILE A 297
 None
 1.12A 4h1nA-4ru0A:
undetectable		 4h1nA-4ru0A:
21.55
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.
4rwe SUGAR-BINDING
TRANSPORT PROTEIN

(Yersinia pestis) 		PF13407
(Peripla_BP_4) 		5 ILE A 156
ALA A 228
ALA A 229
ILE A 211
VAL A 214
 None
 0.81A 4h1nA-4rweA:
undetectable		 4h1nA-4rweA:
21.69
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.
4rww LMO2692 PROTEIN

(Listeria
monocytogenes) 		PF06153
(CdAMP_rec) 		5 ILE A  60
ILE A   4
ALA A  27
VAL A   8
VAL A  98
 None
 0.98A 4h1nA-4rwwA:
undetectable		 4h1nA-4rwwA:
14.41
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.
4s1a UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF13200
(DUF4015) 		5 ILE A 127
ILE A 219
LEU A 278
ALA A 225
ILE A 140
 None
 0.97A 4h1nA-4s1aA:
undetectable		 4h1nA-4s1aA:
19.29
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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		5 ILE A 174
PHE A  85
LEU A 196
ILE A 259
VAL A 141
 None
 1.10A 4h1nA-4tvmA:
undetectable		 4h1nA-4tvmA:
22.18
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 355
ILE A 337
LEU A 412
ALA A 179
ALA A 178
 None
 1.06A 4h1nA-4udrA:
undetectable		 4h1nA-4udrA:
21.88
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ILE A 672
ILE A 641
LEU A 660
VAL A 430
VAL A 577
 None
 1.00A 4h1nA-4umvA:
undetectable		 4h1nA-4umvA:
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.
4yis MEGANUCLEASE I-CPAMI

(Cryphonectria
parasitica) 		PF00961
(LAGLIDADG_1) 		5 ILE A 202
PHE A 252
ILE A 164
ALA A 174
VAL A  96
 None
 1.18A 4h1nA-4yisA:
undetectable		 4h1nA-4yisA:
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.
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 ILE A 506
LEU A 107
ALA A 571
ALA A 574
ILE A 529
 None
 1.15A 4h1nA-4zajA:
undetectable		 4h1nA-4zajA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdk CTP SYNTHASE

(Mycobacterium
tuberculosis) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 PHE A 183
ILE A 213
ALA A 169
ALA A 168
ILE A 122
 None
 1.07A 4h1nA-4zdkA:
undetectable		 4h1nA-4zdkA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c1b TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2)
PF09336
(Vps4_C) 		5 ILE A 216
ILE A 254
ALA A 346
ALA A 345
VAL A 258
 None
 1.18A 4h1nA-5c1bA:
undetectable		 4h1nA-5c1bA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		5 ILE A 317
ILE A 306
LEU A 327
ALA A 247
VAL A 308
 ILE  A 317 ( 0.6A)
ILE  A 306 ( 0.6A)
LEU  A 327 ( 0.6A)
ALA  A 247 ( 0.0A)
VAL  A 308 ( 0.6A)
 1.16A 4h1nA-5cdnA:
undetectable		 4h1nA-5cdnA:
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		5 ILE A 667
LEU A 785
THR A 587
ILE A 674
VAL A 687
 None
 0.92A 4h1nA-5csaA:
0.1		 4h1nA-5csaA:
19.83
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.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		5 ILE A 267
PHE A  55
ILE A 189
ALA A 277
VAL A 269
 None
 1.16A 4h1nA-5cvcA:
undetectable		 4h1nA-5cvcA:
22.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		6 ILE A 101
LEU A 238
ALA A 298
THR A 302
ILE A 363
VAL A 367
 CPZ  A 502 (-4.7A)
None
HEM  A 501 ( 3.1A)
CPZ  A 502 ( 4.0A)
HEM  A 501 (-4.1A)
HEM  A 501 ( 4.4A)
 0.66A 4h1nA-5e0eA:
53.7		 4h1nA-5e0eA:
79.66
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		5 ILE A  65
ILE A  51
ALA A  73
ILE A 115
VAL A 113
 None
 0.93A 4h1nA-5e25A:
undetectable		 4h1nA-5e25A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ILE A 291
ILE A 166
ALA A 305
ALA A 304
VAL A 140
 None
 1.01A 4h1nA-5enoA:
undetectable		 4h1nA-5enoA:
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.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		5 ILE A1297
ILE A1272
ALA A1434
ILE A1475
VAL A1293
 None
 1.04A 4h1nA-5fv0A:
undetectable		 4h1nA-5fv0A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 ILE A 406
ILE A 402
ALA A 343
ILE A 439
VAL A 430
 None
 1.19A 4h1nA-5ikpA:
undetectable		 4h1nA-5ikpA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		5 ILE A 319
ILE A 312
ILE A 348
ALA A 375
ILE A 307
 None
 1.04A 4h1nA-5jxlA:
undetectable		 4h1nA-5jxlA:
19.32
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.
5lmz FLUORINASE

(Streptomyces
sp. MA37) 		PF01887
(SAM_adeno_trans) 		5 ILE A  91
LEU A 175
ALA A 121
ILE A  59
VAL A 130
 None
 1.01A 4h1nA-5lmzA:
undetectable		 4h1nA-5lmzA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 ILE A 739
ALA A 677
ALA A 678
ILE A 725
VAL A 735
 None
 0.90A 4h1nA-5mswA:
undetectable		 4h1nA-5mswA:
17.68
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.
5nsq AMINOPEPTIDASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00883
(Peptidase_M17) 		5 LEU A 521
ALA A 427
ALA A 426
VAL A 419
VAL A 494
 None
 1.20A 4h1nA-5nsqA:
undetectable		 4h1nA-5nsqA:
23.38
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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 LEU A 245
ALA A 237
ALA A 236
ILE A 159
VAL A 155
 None
 1.18A 4h1nA-5vatA:
undetectable		 4h1nA-5vatA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj4 UNCHARACTERIZED
PROTEIN

(Borrelia
turicatae) 		no annotation 5 ILE A 319
ILE A 352
THR A 413
ILE A 411
VAL A 348
 None
None
SO4  A 505 (-3.6A)
None
None
 1.18A 4h1nA-5vj4A:
undetectable		 4h1nA-5vj4A:
23.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wbg CYTOCHROME P450 2B6

(Homo sapiens) 		no annotation 8 ILE A 101
ILE A 114
ILE A 209
LEU A 238
ALA A 298
THR A 302
VAL A 367
VAL A 477
 9ZJ  A 502 (-4.5A)
9ZJ  A 502 ( 3.6A)
9ZJ  A 502 ( 4.8A)
None
9ZJ  A 502 ( 3.5A)
9ZJ  A 502 ( 3.9A)
9ZJ  A 502 ( 4.2A)
None
 0.73A 4h1nA-5wbgA:
58.0		 4h1nA-5wbgA:
86.25
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 ILE A 397
LEU A 449
ALA A 422
ILE A  66
VAL A  42
 None
 0.79A 4h1nA-5wgxA:
undetectable		 4h1nA-5wgxA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 LEU A 449
ALA A 422
ALA A 423
ILE A  66
VAL A  42
 None
 1.09A 4h1nA-5wgxA:
undetectable		 4h1nA-5wgxA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wjc KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
pombe) 		no annotation 5 ILE A 146
LEU A  89
ALA A 156
ILE A 225
VAL A 212
 None
 1.15A 4h1nA-5wjcA:
undetectable		 4h1nA-5wjcA:
9.81
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.
5y0s THERMOTOGA MARITIMA
TMCAL

(Thermotoga
maritima) 		no annotation 5 ILE A  34
ILE A 337
ILE A 349
ALA A 357
VAL A   3
 None
None
None
EDO  A 505 ( 3.8A)
None
 1.01A 4h1nA-5y0sA:
undetectable		 4h1nA-5y0sA:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 ILE A 273
ILE A 302
THR A 324
ILE A 321
VAL A 367
 None
 1.09A 4h1nA-6fuyA:
0.1		 4h1nA-6fuyA:
10.00