SIMILAR PATTERNS OF AMINO ACIDS FOR 3SO9_A_017A100

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.
1aip ELONGATION FACTOR TS

(Thermus
thermophilus) 		PF00889
(EF_TS) 		5 GLY C  15
ALA C  16
ASP C  20
GLY C 181
ILE C 180
 None
 0.97A 3so9A-1aipC:
0.0		 3so9A-1aipC:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 GLY A 302
ALA A 303
GLY A 105
ILE A 106
 None
 0.51A 3so9A-1akcA:
undetectable		 3so9A-1akcA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ayy GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica) 		PF01112
(Asparaginase_2) 		4 ALA B 202
GLY B 188
ILE B 186
THR B 212
 None
 0.68A 3so9A-1ayyB:
0.0		 3so9A-1ayyB:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		4 GLY A 158
ALA A 159
ASP A 160
ILE A 105
 None
 0.65A 3so9A-1b4eA:
undetectable		 3so9A-1b4eA:
16.08
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.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		5 ALA A  41
ASP A  42
GLY A  13
ILE A  12
THR A  18
 None
 1.24A 3so9A-1cp2A:
0.0		 3so9A-1cp2A:
18.28
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.
1d7a PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Escherichia
coli) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 AIR  A 300 (-3.6A)
AIR  A 300 (-3.5A)
AIR  A 300 (-2.6A)
None
None
 1.15A 3so9A-1d7aA:
undetectable		 3so9A-1d7aA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 ASN A 261
GLY A 260
ASP A 271
GLY A 268
THR A 283
 None
 1.35A 3so9A-1dcqA:
undetectable		 3so9A-1dcqA:
14.98
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.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 GLY A  87
ALA A  83
ASP A  81
GLY A 130
ILE A 241
 None
 1.14A 3so9A-1deuA:
0.0		 3so9A-1deuA:
15.27
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.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		5 GLY M 195
ALA M 199
ASP M 211
GLY M 217
THR M 348
 None
 1.34A 3so9A-1dwaM:
undetectable		 3so9A-1dwaM:
12.96
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 106
ALA A 107
ASP A 108
ASP A 138
 None
 0.49A 3so9A-1e43A:
undetectable		 3so9A-1e43A:
12.98
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.
1fhf SEED COAT PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		5 GLY A  51
ALA A  98
ASP A  99
GLY A 283
ILE A 285
 None
 1.41A 3so9A-1fhfA:
undetectable		 3so9A-1fhfA:
14.95
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.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 144
ALA A 143
ASP A 141
ASP A 140
GLY A 198
 None
None
ZN  A 501 ( 4.6A)
ZN  A 501 ( 2.5A)
None
 1.39A 3so9A-1fnoA:
undetectable		 3so9A-1fnoA:
14.56
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.
1gmm CBM6

(Ruminiclostridium
thermocellum) 		PF03422
(CBM_6) 		5 GLY A  62
ALA A  63
ASP A  64
GLY A 117
ILE A  35
 None
None
None
None
NA  A1131 (-4.1A)
 1.37A 3so9A-1gmmA:
undetectable		 3so9A-1gmmA:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
None
 0.87A 3so9A-1hvcA:
12.8		 3so9A-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
GLY A  49
ILE A  50
THR A  80
 A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
 0.84A 3so9A-1hvcA:
12.8		 3so9A-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.67A 3so9A-1hvcA:
12.8		 3so9A-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
None
 0.84A 3so9A-1hvcA:
12.8		 3so9A-1hvcA:
42.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hy8 ACYL CARRIER PROTEIN

(Bacillus
subtilis) 		PF00550
(PP-binding) 		4 GLY A  33
ALA A  34
ASP A  38
GLY A  16
 None
 0.68A 3so9A-1hy8A:
undetectable		 3so9A-1hy8A:
26.60
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.
1ig0 THIAMIN
PYROPHOSPHOKINASE

(Saccharomyces
cerevisiae) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 ASN A 307
GLY A 252
GLY A 249
ILE A 248
THR A 224
 None
 1.18A 3so9A-1ig0A:
undetectable		 3so9A-1ig0A:
17.63
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.
1jqg CARBOXYPEPTIDASE A

(Helicoverpa
armigera) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 GLY A 296
ALA A 229
ASP A 231
GLY A 223
ILE A 222
 None
 1.31A 3so9A-1jqgA:
undetectable		 3so9A-1jqgA:
12.73
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.
1jvb NAD(H)-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.66A 3so9A-1jvbA:
undetectable		 3so9A-1jvbA:
15.18
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.
1kgs DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 GLY A  96
ALA A  97
GLY A  61
THR A  81
 None
 0.62A 3so9A-1kgsA:
undetectable		 3so9A-1kgsA:
19.11
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.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		4 GLY A  35
ALA A  34
GLY A  47
THR A 219
 None
 0.68A 3so9A-1kyhA:
undetectable		 3so9A-1kyhA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 354
ALA A 349
ASP A 347
GLY A 509
THR A 313
 None
None
None
NA  A3002 ( 4.7A)
FAD  A3000 (-3.9A)
 1.42A 3so9A-1m64A:
undetectable		 3so9A-1m64A:
9.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1md7 C1R COMPLEMENT
SERINE PROTEASE

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 638
ALA A 637
ASP A 636
GLY A 468
ILE A 466
 None
 1.13A 3so9A-1md7A:
0.7		 3so9A-1md7A:
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.
1mld MALATE DEHYDROGENASE

(Sus scrofa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A 118
ASP A  87
GLY A 178
ILE A 181
THR A 211
 CIT  A 375 (-3.2A)
None
None
None
None
 1.28A 3so9A-1mldA:
undetectable		 3so9A-1mldA:
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASN A 644
ALA A 637
ASP A 638
ASP A 639
GLY A 668
 None
 1.26A 3so9A-1n5xA:
undetectable		 3so9A-1n5xA:
6.24
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASN A 644
ALA A 637
ASP A 639
GLY A 668
ILE A 666
 None
 1.46A 3so9A-1n5xA:
undetectable		 3so9A-1n5xA:
6.24
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY A 193
ALA A 194
ASP A 195
THR A 146
 None
 0.54A 3so9A-1n8pA:
undetectable		 3so9A-1n8pA:
13.78
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.
1nzy 4-CHLOROBENZOYL
COENZYME A
DEHALOGENASE

(Pseudomonas sp.
CBS3) 		PF00378
(ECH_1) 		5 ASN B  25
GLY B  55
ALA B  56
GLY B   6
ILE B  16
 None
None
None
EDO  B 901 ( 4.2A)
None
 1.33A 3so9A-1nzyB:
undetectable		 3so9A-1nzyB:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 GLY A  66
ALA A  67
GLY A  80
ILE A 295
THR A  76
 None
 0.91A 3so9A-1pc3A:
undetectable		 3so9A-1pc3A:
16.08
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 GLY A 349
ASP A 352
GLY A 194
ILE A 193
THR A 331
 None
MG  A 395 ( 3.0A)
None
None
None
 1.48A 3so9A-1phpA:
undetectable		 3so9A-1phpA:
16.90
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.
1q56 AGRIN

(Gallus gallus) 		PF00054
(Laminin_G_1) 		5 GLY A 165
ASP A  20
GLY A 144
ILE A  56
THR A 161
 None
 1.02A 3so9A-1q56A:
undetectable		 3so9A-1q56A:
19.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		4 GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.52A 3so9A-1q9pA:
9.9		 3so9A-1q9pA:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 None
 0.84A 3so9A-1sivA:
17.9		 3so9A-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
GLY A  48
THR A  80
 None
 0.97A 3so9A-1sivA:
17.9		 3so9A-1sivA:
47.47
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 GLY A 456
ALA A 457
ASP A 472
GLY A 526
 None
 0.69A 3so9A-1sqjA:
undetectable		 3so9A-1sqjA:
8.49
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		5 ASN A 244
GLY A 232
ALA A 233
GLY A  49
THR A  90
 None
None
None
SO4  A 401 (-3.3A)
None
 1.31A 3so9A-1t9kA:
undetectable		 3so9A-1t9kA:
17.01
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 164
ASP A 166
ASP A 167
ILE A 175
 None
 0.68A 3so9A-1tkkA:
undetectable		 3so9A-1tkkA:
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.
1tlg POLYANDROCARPA
LECTIN

(Polyandrocarpa
misakiensis) 		PF00059
(Lectin_C) 		4 GLY A  56
ALA A  57
ASP A  58
GLY A  72
 None
 0.49A 3so9A-1tlgA:
undetectable		 3so9A-1tlgA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u11 PURE
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
MUTASE)

(Acetobacter
aceti) 		PF00731
(AIRC) 		5 GLY A  85
ALA A  84
ASP A  33
GLY A 136
ILE A 135
 CIT  A1001 (-4.3A)
CIT  A1001 (-3.8A)
CIT  A1001 (-2.9A)
None
None
 1.16A 3so9A-1u11A:
undetectable		 3so9A-1u11A:
21.08
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.
1v9n MALATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF02615
(Ldh_2) 		5 GLY A 145
ALA A 173
GLY A 142
ILE A 287
THR A 176
 None
 1.44A 3so9A-1v9nA:
undetectable		 3so9A-1v9nA:
12.29
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.
1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG

(Clostridium
acetobutylicum) 		PF04321
(RmlD_sub_bind) 		5 ASN A  57
ALA A  59
GLY A  13
ILE A  16
THR A  30
 None
NAI  A 300 (-3.2A)
None
None
None
 1.40A 3so9A-1vl0A:
undetectable		 3so9A-1vl0A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE

(Saccharomyces
cerevisiae) 		PF01008
(IF-2B) 		5 ASN B 290
GLY B 278
ALA B 279
GLY A  52
THR A 108
 None
None
None
SO4  A1212 (-3.6A)
None
 1.36A 3so9A-1w2wB:
undetectable		 3so9A-1w2wB:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		4 GLY A 424
ALA A 425
ASP A 426
ILE A 354
 None
 0.63A 3so9A-1x0uA:
undetectable		 3so9A-1x0uA:
10.73
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		4 GLY A  92
ALA A  93
ASP A  94
ILE A  55
 None
 0.63A 3so9A-1x7fA:
undetectable		 3so9A-1x7fA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 115
ASP A  37
GLY A  10
ILE A   7
THR A 102
 None
FAD  A 999 (-3.5A)
FAD  A 999 (-4.8A)
None
None
 1.38A 3so9A-1xdiA:
undetectable		 3so9A-1xdiA:
12.75
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.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 None
 1.14A 3so9A-1xmpA:
undetectable		 3so9A-1xmpA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		5 GLY A  76
ALA A  77
ASP A  71
GLY A 111
THR A  18
 None
 1.40A 3so9A-1y1pA:
undetectable		 3so9A-1y1pA:
14.45
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		5 ALA B 151
ASP B 147
GLY B  40
ILE B  39
THR B  19
 None
FMN  A 802 ( 4.8A)
None
None
None
 1.28A 3so9A-1y56B:
undetectable		 3so9A-1y56B:
17.22
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.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI

(Homo sapiens) 		PF00106
(adh_short) 		4 GLY A 117
ALA A 116
GLY A  44
ILE A  43
 None
CL  A 402 ( 4.1A)
None
SO4  A 702 (-3.8A)
 0.69A 3so9A-1yb1A:
undetectable		 3so9A-1yb1A:
16.48
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.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 GLY A 111
ALA A 112
ASP A 113
THR A  53
 None
 0.57A 3so9A-1yb4A:
undetectable		 3so9A-1yb4A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 GLY A 180
ALA A 179
GLY A 242
ILE A 243
 None
 0.67A 3so9A-1yw6A:
undetectable		 3so9A-1yw6A:
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.
2a18 CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN
CCMK HOMOLOG 4

(Synechocystis
sp. PCC 6803) 		PF00936
(BMC) 		4 GLY A  40
ALA A  39
ILE A  13
THR A  76
 None
 0.68A 3so9A-2a18A:
undetectable		 3so9A-2a18A:
20.49
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 173
ALA A 174
ASP A 179
GLY A 184
ILE A 169
 None
 1.25A 3so9A-2akzA:
undetectable		 3so9A-2akzA:
13.35
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.
2c0h MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Mytilus edulis) 		PF00150
(Cellulase) 		4 GLY A 128
ALA A 129
GLY A 204
ILE A 182
 None
 0.71A 3so9A-2c0hA:
undetectable		 3so9A-2c0hA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		4 GLY A  81
ALA A  80
GLY A 212
ILE A 213
 None
 0.68A 3so9A-2ch1A:
undetectable		 3so9A-2ch1A:
14.04
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.
2cxh PROBABLE BRIX-DOMAIN
RIBOSOMAL BIOGENESIS
PROTEIN

(Aeropyrum
pernix) 		no annotation 4 GLY A  63
ALA A  64
ASP A  65
GLY A  41
 None
 0.69A 3so9A-2cxhA:
undetectable		 3so9A-2cxhA:
20.79
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca) 		PF02288
(Dehydratase_MU)
PF08841
(DDR) 		5 ASN A 173
ASP A 167
GLY B  28
ILE B  29
THR A 105
 None
None
None
None
MG  A1005 (-3.1A)
 1.41A 3so9A-2d0oA:
undetectable		 3so9A-2d0oA:
10.23
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		4 GLY A 304
GLY A 126
ILE A 127
THR A 325
 None
 0.62A 3so9A-2e3jA:
undetectable		 3so9A-2e3jA:
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.
2eer NAD-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.70A 3so9A-2eerA:
undetectable		 3so9A-2eerA:
15.73
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.
2fi1 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		4 GLY A 168
ALA A 167
GLY A 159
ILE A 158
 None
 0.70A 3so9A-2fi1A:
undetectable		 3so9A-2fi1A:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		4 GLY A  27
ALA A  28
ASP A  29
GLY A  55
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
 0.37A 3so9A-2fmbA:
14.6		 3so9A-2fmbA:
31.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		5 GLY A 162
ALA A 199
ASP A 196
GLY A 166
ILE A 148
 None
 1.40A 3so9A-2g9iA:
undetectable		 3so9A-2g9iA:
18.64
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 285
ALA A 284
ASP A 236
GLY A 184
ILE A 183
 LLP  A  58 ( 4.8A)
LLP  A  58 ( 3.4A)
None
LLP  A  58 ( 3.5A)
None
 1.31A 3so9A-2gn1A:
undetectable		 3so9A-2gn1A:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 GLY A 129
ALA A 101
ASP A 100
GLY A 124
ILE A 123
 None
None
TRS  A 293 (-2.8A)
None
None
 1.17A 3so9A-2gupA:
undetectable		 3so9A-2gupA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		4 GLY A 388
ALA A 389
ASP A 390
ILE A 270
 None
 0.64A 3so9A-2gwcA:
undetectable		 3so9A-2gwcA:
10.99
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.
2h8o GERANYLTRANSTRANSFER
ASE

(Agrobacterium
fabrum) 		PF00348
(polyprenyl_synt) 		5 ALA A 261
ASP A 262
ASP A 263
GLY A 255
ILE A 254
 None
 1.15A 3so9A-2h8oA:
undetectable		 3so9A-2h8oA:
14.33
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.
2hcz BETA-EXPANSIN 1A

(Zea mays) 		PF01357
(Pollen_allerg_1)
PF03330
(DPBB_1) 		4 GLY X 195
ALA X 196
GLY X  71
ILE X  93
 None
 0.69A 3so9A-2hczX:
undetectable		 3so9A-2hczX:
16.26
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.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		4 ASN A 184
ASP A 157
GLY A 211
ILE A 212
 GOL  A 370 ( 3.1A)
None
None
None
 0.69A 3so9A-2hoeA:
undetectable		 3so9A-2hoeA:
14.78
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 GLY A  26
ALA A  25
ASP A  28
ILE A 511
THR A  50
 None
 1.17A 3so9A-2i3oA:
undetectable		 3so9A-2i3oA:
9.94
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		5 ASN A 203
GLY A 200
ALA A  53
GLY A 144
THR A 147
 None
 1.30A 3so9A-2iluA:
undetectable		 3so9A-2iluA:
12.76
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.
2iod DIHYDROFLAVONOL
4-REDUCTASE

(Vitis vinifera) 		PF01370
(Epimerase) 		5 GLY A  69
ASP A  67
ASP A  64
GLY A 106
THR A  11
 None
None
NAP  A1340 (-3.6A)
None
None
 1.45A 3so9A-2iodA:
undetectable		 3so9A-2iodA:
14.90
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		4 ASN A 532
GLY A 500
ALA A 499
GLY A 473
 None
 0.58A 3so9A-2j6hA:
undetectable		 3so9A-2j6hA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k0r THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBD

(Neisseria
meningitidis) 		PF11412
(DsbC) 		5 GLY A  25
ALA A  22
ASP A  23
GLY A 120
ILE A 118
 None
 1.21A 3so9A-2k0rA:
undetectable		 3so9A-2k0rA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mk5 ENDOLYSIN

(Staphylococcus
virus G15) 		PF08460
(SH3_5) 		5 ASN A 105
GLY A 104
ALA A 101
GLY A  98
THR A  62
 None
 1.46A 3so9A-2mk5A:
undetectable		 3so9A-2mk5A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2noq 60S RIBOSOMAL
PROTEIN L11-B

(Saccharomyces
cerevisiae) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		4 GLY H 134
ALA H 135
GLY H 148
THR H 153
 None
 0.71A 3so9A-2noqH:
undetectable		 3so9A-2noqH:
18.87
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.
2nxo HYPOTHETICAL PROTEIN
SCO4506

(Streptomyces
coelicolor) 		PF02621
(VitK2_biosynth) 		4 GLY A  50
GLY A  55
ILE A  54
THR A  36
 None
 0.67A 3so9A-2nxoA:
undetectable		 3so9A-2nxoA:
14.09
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ASN A  40
GLY A  18
ALA A  37
ASP A  36
GLY A 619
 None
 1.46A 3so9A-2nyaA:
undetectable		 3so9A-2nyaA:
7.54
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 232
ALA A 233
ASP A 234
GLY A 193
 None
 0.70A 3so9A-2oejA:
undetectable		 3so9A-2oejA:
13.98
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ALA A 158
ASP A 157
GLY A 140
ILE A 168
THR A 143
 None
None
UD1  A4000 (-3.3A)
None
None
 1.20A 3so9A-2oi6A:
undetectable		 3so9A-2oi6A:
12.76
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.
2pn2 UNCHARACTERIZED
PROTEIN

(Psychrobacter
arcticus) 		PF02566
(OsmC) 		5 ASN A  97
GLY A  71
ALA A  70
GLY A  59
ILE A  58
 None
 1.09A 3so9A-2pn2A:
undetectable		 3so9A-2pn2A:
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  67
ALA A  68
ASP A  71
GLY A 110
ILE A  16
 GSP  A 401 (-3.3A)
GSP  A 401 (-3.5A)
None
None
None
 1.32A 3so9A-2q1yA:
undetectable		 3so9A-2q1yA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASN A  19
GLY A  44
ALA A  45
ASP A 307
ILE A  50
 None
None
None
None
SUC  A 800 ( 4.6A)
 1.38A 3so9A-2qquA:
undetectable		 3so9A-2qquA:
9.70
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.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 GLY A  96
ALA A  60
ASP A  59
ILE A  42
THR A  11
 None
 1.31A 3so9A-2qtkA:
undetectable		 3so9A-2qtkA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qu7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
saprophyticus) 		PF13407
(Peripla_BP_4) 		5 GLY A 277
ALA A 249
GLY A 246
ILE A 274
THR A 236
 None
 1.40A 3so9A-2qu7A:
undetectable		 3so9A-2qu7A:
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 ASN A 696
GLY A 820
GLY A 743
ILE A 744
THR A 692
 None
None
ZN  A1006 ( 4.4A)
None
None
 1.49A 3so9A-2r6fA:
undetectable		 3so9A-2r6fA:
7.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
None
 0.89A 3so9A-2rkfA:
19.6		 3so9A-2rkfA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
None
 0.73A 3so9A-2rkfA:
19.6		 3so9A-2rkfA:
80.81
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.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		4 GLY A  91
ALA A  90
GLY A  17
ILE A  16
 None
 0.70A 3so9A-2uvdA:
undetectable		 3so9A-2uvdA:
17.77
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.68A 3so9A-2vn8A:
undetectable		 3so9A-2vn8A:
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.
2vq2 PUTATIVE FIMBRIAL
BIOGENESIS AND
TWITCHING MOTILITY
PROTEIN

(Neisseria
meningitidis) 		PF13429
(TPR_15) 		4 ASN A 108
ALA A 143
GLY A 148
ILE A 149
 None
 0.71A 3so9A-2vq2A:
undetectable		 3so9A-2vq2A:
16.51
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.
2vvq RIBOSE-5-PHOSPHATE
ISOMERASE B

(Mycobacterium
tuberculosis) 		PF02502
(LacAB_rpiB) 		5 GLY A   9
ALA A  10
ASP A  11
GLY A 109
ILE A 108
 None
None
R10  A 200 (-2.8A)
None
None
 1.37A 3so9A-2vvqA:
undetectable		 3so9A-2vvqA:
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.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 GLY A 468
ALA A 467
GLY A 309
THR A 339
 None
 0.67A 3so9A-2w8qA:
undetectable		 3so9A-2w8qA:
11.40
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLY A 280
ALA A 281
ASP A 255
GLY A 247
 None
 0.60A 3so9A-2wd9A:
undetectable		 3so9A-2wd9A:
10.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 163
ALA A 162
ASP A 106
GLY A 159
 None
 0.70A 3so9A-2wgeA:
undetectable		 3so9A-2wgeA:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2whd THIOREDOXIN
REDUCTASE

(Hordeum vulgare) 		PF07992
(Pyr_redox_2) 		4 GLY A 230
ALA A 229
GLY A 141
ILE A 142
 None
 0.63A 3so9A-2whdA:
undetectable		 3so9A-2whdA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xu0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF05424
(Duffy_binding)
PF15447
(NTS) 		4 GLY A 187
ALA A 186
ASP A 277
GLY A 183
 None
 0.63A 3so9A-2xu0A:
undetectable		 3so9A-2xu0A:
11.29
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.
2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		5 ASN A 240
GLY A 182
ALA A 246
ASP A 249
ILE A 177
 None
 1.28A 3so9A-2xuzA:
undetectable		 3so9A-2xuzA:
14.72
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLY X 255
ALA X 256
GLY X 451
ILE X 450
 None
 0.63A 3so9A-2y9eX:
undetectable		 3so9A-2y9eX:
9.01
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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		5 LEU A 135
VAL A 247
GLY A 353
PRO A 250
VAL A 257
 DFP  A 401 (-4.3A)
None
None
None
None
 0.90A 3so9B-1ci9A:
undetectable		 3so9B-1ci9A:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 LEU B 126
ILE B  93
GLY B  87
ILE B  69
VAL B 128
 None
 0.98A 3so9B-1e9yB:
undetectable		 3so9B-1e9yB:
10.90
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 179
VAL A 232
ILE A  59
THR A 200
VAL A 202
 None
 0.95A 3so9B-1ebdA:
undetectable		 3so9B-1ebdA:
12.13
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.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.86A 3so9B-1fu1A:
undetectable		 3so9B-1fu1A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ga8 GALACTOSYL
TRANSFERASE LGTC

(Neisseria
meningitidis) 		PF01501
(Glyco_transf_8) 		5 ASP A   2
VAL A   4
ILE A  93
GLY A  90
ILE A 169
 None
 0.78A 3so9B-1ga8A:
undetectable		 3so9B-1ga8A:
14.56
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		5 ALA A  87
GLY A 426
ILE A 381
THR A 174
VAL A 128
 None
 0.91A 3so9B-1gnxA:
undetectable		 3so9B-1gnxA:
11.98
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.
1gqp DOC1/APC10

(Saccharomyces
cerevisiae) 		PF03256
(ANAPC10) 		5 LEU A  67
GLY A 249
ILE A 250
PRO A 183
VAL A 208
 None
 0.92A 3so9B-1gqpA:
undetectable		 3so9B-1gqpA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.98A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.91A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.75A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.73A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.84A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.87A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.53A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.59A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.94A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  29
ASP A  30
VAL A  32
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.83A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.76A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  29
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.70A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.72A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  30
VAL A  32
ILE A  47
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.72A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.50A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.51A 3so9B-1hvcA:
13.1		 3so9B-1hvcA:
42.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		5 LEU A 219
ASP A 223
ILE A 209
GLY A 211
ILE A 212
 None
 0.85A 3so9B-1izeA:
6.5		 3so9B-1izeA:
16.77
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.91A 3so9B-1o5wA:
undetectable		 3so9B-1o5wA:
12.02
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 ALA A  67
ASP A  96
ASP A 100
ILE A 414
GLY A 428
ILE A 430
 None
 1.21A 3so9B-1poxA:
undetectable		 3so9B-1poxA:
12.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
ASP A  30
VAL A  32
PRO A  81
 None
 0.84A 3so9B-1q9pA:
10.1		 3so9B-1q9pA:
84.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.75A 3so9B-1sivA:
17.8		 3so9B-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  23
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 None
 0.92A 3so9B-1sivA:
17.8		 3so9B-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  23
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.62A 3so9B-1sivA:
17.8		 3so9B-1sivA:
47.47
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.
1tg6 PUTATIVE
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Homo sapiens) 		PF00574
(CLP_protease) 		5 LEU A 101
ALA A  72
ASP A  37
ASP A  36
PRO A 124
 None
 0.91A 3so9B-1tg6A:
undetectable		 3so9B-1tg6A:
15.27
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.
1tyg THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Bacillus
subtilis) 		PF05690
(ThiG) 		5 LEU A 299
ALA A 255
ASP A 284
VAL A 304
GLY A 288
 None
 0.93A 3so9B-1tygA:
undetectable		 3so9B-1tygA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 VAL A 120
ILE A 145
GLY A 160
ILE A 159
VAL A 124
 None
 0.86A 3so9B-1up4A:
undetectable		 3so9B-1up4A:
15.82
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 LEU A 286
ALA A 218
ILE A 190
THR A 338
VAL A 336
 None
 0.80A 3so9B-1w5eA:
undetectable		 3so9B-1w5eA:
14.63
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.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		5 LEU A1208
ALA A1164
ASP A1193
VAL A1213
GLY A1197
 None
 0.81A 3so9B-1wv2A:
undetectable		 3so9B-1wv2A:
15.79
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.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 433
VAL A 440
ILE A 404
GLY A 415
THR A 410
 None
 0.95A 3so9B-1xdiA:
undetectable		 3so9B-1xdiA:
12.75
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.
2aip PROTEIN C ACTIVATOR

(Agkistrodon
contortrix) 		PF00089
(Trypsin) 		6 LEU A 151
ASP A 189
VAL A  16
ILE A 138
GLY A 197
PRO A 155
 None
 1.31A 3so9B-2aipA:
undetectable		 3so9B-2aipA:
18.42
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ALA A 770
VAL A 795
GLY A 775
PRO A 787
VAL A 768
 None
 0.92A 3so9B-2b3xA:
undetectable		 3so9B-2b3xA:
7.39
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		6 ALA A 237
VAL A 196
ILE A 224
GLY A 434
ILE A 433
VAL A 192
 None
 1.16A 3so9B-2dfsA:
undetectable		 3so9B-2dfsA:
6.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.76A 3so9B-2fmbA:
14.5		 3so9B-2fmbA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 None
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.75A 3so9B-2fmbA:
14.5		 3so9B-2fmbA:
31.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hun 336AA LONG
HYPOTHETICAL
DTDP-GLUCOSE
4,6-DEHYDRATASE

(Pyrococcus
horikoshii) 		PF16363
(GDP_Man_Dehyd) 		6 LEU A 110
ASP A  62
ASP A  65
VAL A  69
ILE A  35
GLY A  10
 None
NAD  A 801 (-3.2A)
None
None
None
NAD  A 801 (-3.2A)
 1.36A 3so9B-2hunA:
undetectable		 3so9B-2hunA:
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.
2jjd RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE EPSILON

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 LEU A 296
VAL A 333
ILE A 346
THR A 229
VAL A 231
 None
 0.81A 3so9B-2jjdA:
undetectable		 3so9B-2jjdA:
10.09
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.
2n5z RESUSCITATION-PROMOT
ING FACTOR RPFC

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas) 		6 LEU A  82
ALA A  11
ASP A  10
GLY A  18
PRO A  74
THR A  75
 None
 1.43A 3so9B-2n5zA:
undetectable		 3so9B-2n5zA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o20 CATABOLITE CONTROL
PROTEIN A

(Lactococcus
lactis) 		PF00532
(Peripla_BP_1) 		6 LEU A 319
VAL A 148
ILE A  81
GLY A  84
ILE A  88
VAL A 160
 None
 1.18A 3so9B-2o20A:
undetectable		 3so9B-2o20A:
17.58
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		5 LEU A 610
VAL A 572
ILE A 641
THR A 629
VAL A 631
 None
 0.96A 3so9B-2oajA:
undetectable		 3so9B-2oajA:
8.11
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 LEU A  13
ALA A  94
GLY A 183
THR A   8
VAL A   6
 LEU  A  13 ( 0.6A)
ALA  A  94 ( 0.0A)
GLY  A 183 ( 0.0A)
THR  A   8 ( 0.8A)
VAL  A   6 ( 0.6A)
 0.94A 3so9B-2ogsA:
undetectable		 3so9B-2ogsA:
12.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.97A 3so9B-2rkfA:
19.9		 3so9B-2rkfA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.83A 3so9B-2rkfA:
19.9		 3so9B-2rkfA:
80.81
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.
2whd THIOREDOXIN
REDUCTASE

(Hordeum vulgare) 		PF07992
(Pyr_redox_2) 		6 LEU A   9
VAL A 106
ILE A  16
GLY A  17
THR A 111
VAL A 113
 None
None
FAD  A 400 (-4.9A)
FAD  A 400 (-3.3A)
None
None
 1.18A 3so9B-2whdA:
undetectable		 3so9B-2whdA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2whd THIOREDOXIN
REDUCTASE

(Hordeum vulgare) 		PF07992
(Pyr_redox_2) 		5 VAL A 106
ILE A  16
ILE A  89
THR A 111
VAL A 113
 None
FAD  A 400 (-4.9A)
None
None
None
 0.81A 3so9B-2whdA:
undetectable		 3so9B-2whdA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.93A 3so9B-2z5xA:
undetectable		 3so9B-2z5xA:
12.87
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 LEU A 333
ASP A 337
VAL A   3
ILE A 285
ILE A 371
 None
CA  A 619 (-2.2A)
None
None
None
 0.97A 3so9B-2z8zA:
undetectable		 3so9B-2z8zA:
8.39
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		5 LEU B 107
VAL B 272
PRO B 260
THR B 261
VAL B 263
 None
 0.84A 3so9B-3adaB:
undetectable		 3so9B-3adaB:
12.96
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.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		5 LEU A 529
ALA A 592
VAL A 457
GLY A 585
VAL A 531
 None
 0.97A 3so9B-3ki6A:
undetectable		 3so9B-3ki6A:
19.90
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 LEU A 307
VAL A 320
GLY A 287
ILE A 284
THR A 318
VAL A 323
 None
 1.34A 3so9B-3ktnA:
undetectable		 3so9B-3ktnA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 527
ASP A 465
ASP A 467
THR A 530
VAL A 526
 None
 0.96A 3so9B-3l6yA:
undetectable		 3so9B-3l6yA:
12.05
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		6 ALA A  64
ASP A  66
ILE A 262
GLY A 260
ILE A 259
VAL A 298
 None
 1.29A 3so9B-3lezA:
undetectable		 3so9B-3lezA:
16.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.71A 3so9B-3mwsA:
18.9		 3so9B-3mwsA:
71.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.68A 3so9B-3mwsA:
18.9		 3so9B-3mwsA:
71.72
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.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		6 LEU A 470
ASP A  78
GLY A 159
ILE A 158
THR A 283
VAL A 467
 None
FMT  A 501 ( 4.8A)
None
None
None
None
 1.43A 3so9B-3peiA:
undetectable		 3so9B-3peiA:
11.13
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.
3qzb PUTATIVE SUPEROXIDE
REDUCTASE

(Thermotoga
maritima) 		PF01880
(Desulfoferrodox) 		5 VAL A  33
ILE A 127
ILE A 110
THR A  99
VAL A 101
 None
 0.93A 3so9B-3qzbA:
undetectable		 3so9B-3qzbA:
20.83
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		6 LEU A 276
ALA A 303
VAL A 267
GLY A   8
ILE A   6
VAL A 270
 None
None
FAD  A 500 ( 4.6A)
FAD  A 500 (-3.0A)
None
None
 1.30A 3so9B-3t2yA:
undetectable		 3so9B-3t2yA:
14.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
None
 0.88A 3so9B-3t3cA:
17.7		 3so9B-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.89A 3so9B-3t3cA:
17.7		 3so9B-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
None
 1.04A 3so9B-3t3cA:
17.7		 3so9B-3t3cA:
74.75
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 ALA A 269
VAL A 349
GLY A 334
ILE A 335
VAL A 363
 EDO  A 410 (-3.5A)
None
EDO  A 404 ( 3.6A)
EDO  A 404 (-4.3A)
None
 0.90A 3so9B-3td9A:
undetectable		 3so9B-3td9A:
17.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.91A 3so9B-3ttpA:
18.8		 3so9B-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.83A 3so9B-3ttpA:
18.8		 3so9B-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
PRO A  81
VAL A  84
 None
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
None
 0.92A 3so9B-3u7sA:
19.3		 3so9B-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 None
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
None
 0.81A 3so9B-3u7sA:
19.3		 3so9B-3u7sA:
80.81
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.
3w03 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU C 126
ALA C  42
GLY C  45
ILE C  34
VAL C 122
 None
 0.87A 3so9B-3w03C:
undetectable		 3so9B-3w03C:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 224
ALA A  20
VAL A 229
GLY A  13
ILE A  14
 None
None
None
FAD  A 600 (-3.4A)
FAD  A 600 (-4.8A)
 0.93A 3so9B-3zyxA:
undetectable		 3so9B-3zyxA:
11.81
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		5 ASP A  81
VAL A 100
ILE A  86
THR A  46
VAL A  48
 None
 0.85A 3so9B-4i1dA:
undetectable		 3so9B-4i1dA:
14.33
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 508
VAL A 325
ILE A 312
GLY A 301
ILE A 337
 None
 0.95A 3so9B-4iv9A:
undetectable		 3so9B-4iv9A:
13.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.68A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.59A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.65A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.52A 3so9B-4njvA:
19.9		 3so9B-4njvA:
87.88
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 LEU A 464
GLY A 373
ILE A 374
PRO A 442
VAL A 444
 None
 0.85A 3so9B-4oe6A:
undetectable		 3so9B-4oe6A:
10.87
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A 144
VAL A 146
ILE A 158
THR A 172
VAL A 170
 None
 0.98A 3so9B-4rvsA:
undetectable		 3so9B-4rvsA:
15.20
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.
4ui2 REPULSIVE GUIDANCE
MOLECULE C, RGMC,
HEMOJUVELIN

(Homo sapiens) 		PF06534
(RGM_C)
PF06535
(RGM_N) 		5 LEU D 291
ALA D 234
ASP D 238
VAL D 269
VAL D 282
 None
 0.79A 3so9B-4ui2D:
undetectable		 3so9B-4ui2D:
18.81
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 LEU A 143
ASP A 125
VAL A 123
GLY A 150
VAL A 132
 None
 0.97A 3so9B-4x4jA:
undetectable		 3so9B-4x4jA:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA
PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT DELTA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 LEU C 351
VAL G 299
ILE G 361
THR G 322
VAL G 324
 None
 0.87A 3so9B-5b04C:
undetectable		 3so9B-5b04C:
11.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASN A  25
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
 0.97A 3so9B-5b18A:
17.4		 3so9B-5b18A:
79.80
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 ALA A 567
ASP A 563
VAL A 189
ILE A 172
VAL A 191
 None
 0.97A 3so9B-5gamA:
undetectable		 3so9B-5gamA:
8.59
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 ALA B 258
VAL B 142
ILE B 100
GLY B 263
PRO B 178
 None
 0.98A 3so9B-5iklB:
undetectable		 3so9B-5iklB:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5imu TAT (TWIN-ARGININE
TRANSLOCATION)
PATHWAY SIGNAL
SEQUENCE CONTAINING
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 260
ASP A 261
ASP A 232
GLY A 267
THR A 254
 None
 0.94A 3so9B-5imuA:
undetectable		 3so9B-5imuA:
21.11
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 LEU A 285
ALA A 258
VAL A 243
THR A 269
VAL A 267
 None
 0.86A 3so9B-5ix8A:
undetectable		 3so9B-5ix8A:
13.40
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.
5jb3 30S RIBOSOMAL
PROTEIN S8E

(Pyrococcus
abyssi) 		PF01201
(Ribosomal_S8e) 		5 LEU J 124
ALA J  63
VAL J 110
ILE J  95
ILE J  78
 None
 0.87A 3so9B-5jb3J:
undetectable		 3so9B-5jb3J:
25.55
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 VAL A 331
ILE A 320
GLY A 478
ILE A 434
THR A 336
 None
 0.98A 3so9B-5jcfA:
undetectable		 3so9B-5jcfA:
9.12
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.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 5 LEU A 125
VAL A  96
ILE A  52
THR A  13
VAL A  15
 None
 0.87A 3so9B-5n0oA:
undetectable		 3so9B-5n0oA:
20.59
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 102
VAL A  88
ILE A  78
GLY A 175
ILE A 174
 None
 0.91A 3so9B-5n4lA:
undetectable		 3so9B-5n4lA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.90A 3so9B-5t2zA:
19.8		 3so9B-5t2zA:
84.85
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.
5x88 CUTINASE

(Malbranchea
cinnamomea) 		no annotation 5 ASP A 141
VAL A 136
ILE A 151
GLY A 120
ILE A  87
 None
 0.85A 3so9B-5x88A:
undetectable		 3so9B-5x88A:
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 5 LEU F 440
ASP F 159
VAL F 157
GLY F 455
VAL F 409
 None
 0.91A 3so9B-5y81F:
undetectable		 3so9B-5y81F:
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.
6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A

(Escherichia
coli;
Homo sapiens) 		no annotation 5 LEU A  85
ALA A  63
VAL A  55
THR A  88
VAL A  84
 None
 0.96A 3so9B-6aqfA:
undetectable		 3so9B-6aqfA:
19.23
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.
6ftx -

(-) 		no annotation 5 ALA W 448
ILE W 371
GLY W 373
THR W 408
VAL W 412
 None
 0.84A 3so9B-6ftxW:
undetectable		 3so9B-6ftxW:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
ASP A  29
ASP A  30
PRO A  81
 None
NIU  A 100 (-3.6A)
None
None
None
 0.94A 3so9B-6upjA:
17.7		 3so9B-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.12A 3so9B-6upjA:
17.7		 3so9B-6upjA:
47.47