SIMILAR PATTERNS OF AMINO ACIDS FOR 5O96_F_SAMF501

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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4
BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E;
Enterovirus E) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 GLN 1 253
LEU 3  88
GLY 3  89
GLY 3  92
ALA 3 103
 None
 1.14A 5o96E-1bev1:
undetectable
5o96F-1bev1:
undetectable		 5o96E-1bev1:
19.34
5o96F-1bev1:
19.34
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.
1cii COLICIN IA

(Escherichia
coli) 		PF01024
(Colicin)
PF11504
(Colicin_Ia) 		5 GLN A  88
GLU A 161
LEU A 156
ARG A 157
ALA A 155
 None
 1.18A 5o96E-1ciiA:
undetectable
5o96F-1ciiA:
undetectable		 5o96E-1ciiA:
19.02
5o96F-1ciiA:
19.02
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 GLN A 572
LEU A 611
GLY A 609
GLY A 605
ALA A 721
 None
 1.14A 5o96E-1jqoA:
undetectable
5o96F-1jqoA:
undetectable		 5o96E-1jqoA:
13.19
5o96F-1jqoA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 352
GLY A 337
VAL A 331
LEU A 349
ALA A 360
 None
 0.96A 5o96E-1jscA:
2.7
5o96F-1jscA:
undetectable		 5o96E-1jscA:
16.29
5o96F-1jscA:
16.29
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 138
GLY A 136
LEU A 559
ARG A 558
ALA A 560
 None
FAD  A3000 (-4.1A)
None
None
None
 1.12A 5o96E-1m64A:
undetectable
5o96F-1m64A:
undetectable		 5o96E-1m64A:
16.40
5o96F-1m64A:
16.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		7 LEU A 171
GLY A 195
GLU A 197
GLY A 199
LEU A 223
ARG A 224
ALA A 228
 None
 0.89A 5o96E-1nxzA:
22.7
5o96F-1nxzA:
30.1		 5o96E-1nxzA:
49.59
5o96F-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		7 LEU A 171
GLY A 195
GLU A 197
VAL A 222
LEU A 223
ARG A 224
ALA A 228
 None
 0.77A 5o96E-1nxzA:
22.7
5o96F-1nxzA:
30.1		 5o96E-1nxzA:
49.59
5o96F-1nxzA:
49.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		7 LEU A 171
PRO A 173
GLU A 197
VAL A 222
LEU A 223
ARG A 224
ALA A 228
 None
 0.57A 5o96E-1nxzA:
22.7
5o96F-1nxzA:
30.1		 5o96E-1nxzA:
49.59
5o96F-1nxzA:
49.59
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.
1pjb L-ALANINE
DEHYDROGENASE

(Phormidium
lapideum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 PRO A 246
GLY A 236
GLY A 174
VAL A 240
ALA A 267
 None
 1.09A 5o96E-1pjbA:
3.8
5o96F-1pjbA:
undetectable		 5o96E-1pjbA:
21.72
5o96F-1pjbA:
21.72
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.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A  29
GLY A  31
GLY A  62
VAL A 104
LEU A 105
 None
 1.09A 5o96E-1poxA:
undetectable
5o96F-1poxA:
undetectable		 5o96E-1poxA:
17.93
5o96F-1poxA:
17.93
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.
1q25 CATION-INDEPENDENT
MANNOSE 6-PHOSPHATE
RECEPTOR

(Bos taurus) 		PF00878
(CIMR) 		5 LEU A 214
GLY A 213
VAL A 217
LEU A 216
ALA A 138
 None
 1.18A 5o96E-1q25A:
undetectable
5o96F-1q25A:
undetectable		 5o96E-1q25A:
20.21
5o96F-1q25A:
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.
1rii 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		6 LEU A   7
GLY A   5
GLY A 175
VAL A  55
LEU A 179
ARG A  77
 None
 1.45A 5o96E-1riiA:
undetectable
5o96F-1riiA:
undetectable		 5o96E-1riiA:
22.70
5o96F-1riiA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rt8 FIMBRIN

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 GLY A 542
GLY A 565
LEU A 577
ARG A 576
ALA A 578
 None
 1.10A 5o96E-1rt8A:
undetectable
5o96F-1rt8A:
undetectable		 5o96E-1rt8A:
19.34
5o96F-1rt8A:
19.34
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 PRO A  77
GLY A  93
GLY A 118
VAL A  74
LEU A  83
 None
 1.14A 5o96E-1szqA:
undetectable
5o96F-1szqA:
undetectable		 5o96E-1szqA:
21.00
5o96F-1szqA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 LEU A 254
GLU A 249
VAL A 211
LEU A 193
ALA A 198
 None
 1.20A 5o96E-1vcgA:
3.1
5o96F-1vcgA:
2.7		 5o96E-1vcgA:
21.31
5o96F-1vcgA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 GLY A 204
GLY A 208
LEU A 232
ARG A 233
ALA A 237
 None
 0.79A 5o96E-1vhkA:
20.9
5o96F-1vhkA:
26.4		 5o96E-1vhkA:
32.32
5o96F-1vhkA:
32.32
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.
1vmi PUTATIVE PHOSPHATE
ACETYLTRANSFERASE

(Escherichia
coli) 		PF01515
(PTA_PTB) 		5 LEU A 202
GLY A 236
VAL A 264
ARG A 198
ALA A 243
 None
 1.13A 5o96E-1vmiA:
2.4
5o96F-1vmiA:
2.1		 5o96E-1vmiA:
22.53
5o96F-1vmiA:
22.53
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.
1wf8 NEURABIN-I

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  28
GLY A  30
VAL A  74
LEU A  73
ALA A  81
 None
 1.19A 5o96E-1wf8A:
undetectable
5o96F-1wf8A:
undetectable		 5o96E-1wf8A:
20.81
5o96F-1wf8A:
20.81
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLN A 187
GLY A 361
GLY A 403
VAL A 167
ALA A 331
 None
NSS  A3002 ( 4.2A)
NSS  A3002 (-3.6A)
None
None
 1.13A 5o96E-1x55A:
undetectable
5o96F-1x55A:
undetectable		 5o96E-1x55A:
18.40
5o96F-1x55A:
18.40
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 LEU A 360
GLY A 358
GLY A 253
VAL A  56
ALA A 408
 None
 1.20A 5o96E-1z3zA:
undetectable
5o96F-1z3zA:
undetectable		 5o96E-1z3zA:
21.18
5o96F-1z3zA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bdv PHAGE-RELATED
CONSERVED
HYPOTHETICAL
PROTEIN, BB2244

(Bordetella
bronchiseptica) 		PF02586
(SRAP) 		5 LEU A  58
PRO A  42
GLY A 146
GLU A 143
GLY A  61
 None
 1.19A 5o96E-2bdvA:
undetectable
5o96F-2bdvA:
undetectable		 5o96E-2bdvA:
21.63
5o96F-2bdvA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		6 LEU A 161
GLY A 185
GLY A 189
LEU A 213
ARG A 214
ALA A 218
 SAH  A 300 ( 3.7A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 4.0A)
None
SAH  A 300 ( 3.6A)
 0.53A 5o96E-2egwA:
26.5
5o96F-2egwA:
26.4		 5o96E-2egwA:
31.23
5o96F-2egwA:
31.23
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 GLN A 329
LEU A 112
GLY A 110
GLY A  21
ALA A  31
 None
 1.18A 5o96E-2o3iA:
undetectable
5o96F-2o3iA:
undetectable		 5o96E-2o3iA:
23.43
5o96F-2o3iA:
23.43
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.
2odl ADHESIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 LEU A 353
GLY A 354
VAL A 300
LEU A 301
ARG A 276
 None
 1.15A 5o96E-2odlA:
undetectable
5o96F-2odlA:
undetectable		 5o96E-2odlA:
24.02
5o96F-2odlA:
24.02
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.
2odl ADHESIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 LEU A 353
GLY A 355
VAL A 300
LEU A 301
ARG A 276
 None
 1.19A 5o96E-2odlA:
undetectable
5o96F-2odlA:
undetectable		 5o96E-2odlA:
24.02
5o96F-2odlA:
24.02
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.
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 PRO A 384
GLY A 214
GLU A 217
GLY A 219
ALA A 381
 None
 1.13A 5o96E-2w7yA:
undetectable
5o96F-2w7yA:
undetectable		 5o96E-2w7yA:
19.48
5o96F-2w7yA:
19.48
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLN A 297
GLY A 475
GLY A 517
VAL A 277
ALA A 446
 None
NSS  A1550 ( 4.1A)
NSS  A1550 (-3.7A)
None
None
 1.16A 5o96E-2xgtA:
undetectable
5o96F-2xgtA:
undetectable		 5o96E-2xgtA:
20.00
5o96F-2xgtA:
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.
2z4g HISTIDINOL
PHOSPHATASE

(Thermus
thermophilus) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 LEU A  73
GLY A  76
VAL A   2
LEU A  30
ALA A  25
 None
 1.13A 5o96E-2z4gA:
2.6
5o96F-2z4gA:
3.0		 5o96E-2z4gA:
20.73
5o96F-2z4gA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 LEU A 192
GLY A 235
VAL A 228
LEU A 186
ALA A 188
 None
 1.18A 5o96E-2zo4A:
undetectable
5o96F-2zo4A:
undetectable		 5o96E-2zo4A:
22.73
5o96F-2zo4A:
22.73
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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)
INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus;
Influenza B
virus) 		PF00509
(Hemagglutinin)
PF00509
(Hemagglutinin) 		5 LEU A 111
GLY A 113
GLY B  68
VAL A 249
ALA A 273
 None
 1.04A 5o96E-3bt6A:
undetectable
5o96F-3bt6A:
undetectable		 5o96E-3bt6A:
20.12
5o96F-3bt6A:
20.12
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.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		5 GLN A  39
LEU A  76
GLY A  78
VAL A  71
ALA A 102
 None
 1.18A 5o96E-3dzcA:
4.1
5o96F-3dzcA:
undetectable		 5o96E-3dzcA:
24.69
5o96F-3dzcA:
24.69
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.
3ec3 PROTEIN
DISULFIDE-ISOMERASE
A4

(Rattus
norvegicus) 		PF13848
(Thioredoxin_6) 		5 GLU A 467
GLY A 470
VAL A 460
LEU A 463
ALA A 485
 None
 0.98A 5o96E-3ec3A:
3.1
5o96F-3ec3A:
undetectable		 5o96E-3ec3A:
22.34
5o96F-3ec3A:
22.34
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.
3fq8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		5 PRO A1069
GLY A1282
GLY A1123
LEU A1279
ALA A1312
 None
None
PMP  A5000 (-3.3A)
None
None
 0.99A 5o96E-3fq8A:
undetectable
5o96F-3fq8A:
undetectable		 5o96E-3fq8A:
20.37
5o96F-3fq8A:
20.37
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 274
GLY A 277
VAL A 244
LEU A 247
ARG A 249
 None
 1.15A 5o96E-3gg9A:
2.3
5o96F-3gg9A:
undetectable		 5o96E-3gg9A:
22.60
5o96F-3gg9A:
22.60
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.
3gwf CYCLOHEXANONE
MONOOXYGENASE

(Rhodococcus sp.
HI-31) 		PF00743
(FMO-like) 		5 PRO A 410
GLY A 415
GLY A 429
VAL A 505
LEU A 506
 None
 1.02A 5o96E-3gwfA:
undetectable
5o96F-3gwfA:
undetectable		 5o96E-3gwfA:
18.20
5o96F-3gwfA:
18.20
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.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		5 LEU A   6
GLY A   7
GLY A  13
VAL A  27
LEU A  28
 None
NDP  A 301 (-3.2A)
None
None
None
 1.08A 5o96E-3h2sA:
2.8
5o96F-3h2sA:
undetectable		 5o96E-3h2sA:
23.44
5o96F-3h2sA:
23.44
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 LEU A 352
PRO A 405
GLY A 350
GLY A 326
ALA A 206
 None
 1.18A 5o96E-3i4jA:
undetectable
5o96F-3i4jA:
undetectable		 5o96E-3i4jA:
21.76
5o96F-3i4jA:
21.76
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.
3jxt DISKS LARGE HOMOLOG
3

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 LEU A 458
GLY A 426
GLU A 422
GLY A 424
ALA A 466
 None
 1.17A 5o96E-3jxtA:
undetectable
5o96F-3jxtA:
undetectable		 5o96E-3jxtA:
18.65
5o96F-3jxtA:
18.65
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.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		5 LEU A  85
GLY A 123
GLU A 125
GLY A 128
ALA A 157
 None
 0.91A 5o96E-3ktyA:
12.5
5o96F-3ktyA:
10.7		 5o96E-3ktyA:
21.07
5o96F-3ktyA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLN A  89
LEU A 348
GLY A 196
VAL A  12
ALA A 355
 None
 1.18A 5o96E-3kzuA:
undetectable
5o96F-3kzuA:
undetectable		 5o96E-3kzuA:
19.91
5o96F-3kzuA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 GLY A 110
GLU A 279
GLY A 282
ARG A 121
ALA A 116
 None
 1.07A 5o96E-3l4dA:
undetectable
5o96F-3l4dA:
undetectable		 5o96E-3l4dA:
20.70
5o96F-3l4dA:
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.
3ly5 ATP-DEPENDENT RNA
HELICASE DDX18

(Homo sapiens) 		PF00270
(DEAD) 		5 GLY A 283
GLU A 294
LEU A 312
ARG A 311
ALA A 307
 None
 1.02A 5o96E-3ly5A:
undetectable
5o96F-3ly5A:
undetectable		 5o96E-3ly5A:
20.75
5o96F-3ly5A:
20.75
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 LEU A 385
PRO A 368
GLY A 388
GLY A 456
ALA A 393
 None
 1.18A 5o96E-3mc2A:
undetectable
5o96F-3mc2A:
undetectable		 5o96E-3mc2A:
16.38
5o96F-3mc2A:
16.38
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.
3nek NITROGEN
REPRESSOR-LIKE
PROTEIN MJ0159

(Methanocaldococcus
jannaschii) 		PF01995
(DUF128) 		5 GLY A 375
GLY A 507
VAL A 513
LEU A 514
ALA A 369
 None
GOL  A   1 ( 4.3A)
None
None
None
 1.15A 5o96E-3nekA:
undetectable
5o96F-3nekA:
undetectable		 5o96E-3nekA:
21.67
5o96F-3nekA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nek NITROGEN
REPRESSOR-LIKE
PROTEIN MJ0159

(Methanocaldococcus
jannaschii) 		PF01995
(DUF128) 		5 GLY A 375
GLY A 508
VAL A 513
LEU A 514
ALA A 369
 None
GOL  A   1 (-3.8A)
None
None
None
 1.12A 5o96E-3nekA:
undetectable
5o96F-3nekA:
undetectable		 5o96E-3nekA:
21.67
5o96F-3nekA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 LEU A 367
GLY A 365
GLY A 362
VAL A 433
ALA A 370
 None
 1.13A 5o96E-3nqxA:
undetectable
5o96F-3nqxA:
undetectable		 5o96E-3nqxA:
20.50
5o96F-3nqxA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p2y ALANINE
DEHYDROGENASE/PYRIDI
NE NUCLEOTIDE
TRANSHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 LEU A  19
PRO A   7
GLY A  41
VAL A  70
ALA A 323
 None
 1.17A 5o96E-3p2yA:
3.6
5o96F-3p2yA:
2.7		 5o96E-3p2yA:
23.98
5o96F-3p2yA:
23.98
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 LEU A 112
PRO A 114
GLU A  38
GLY A  40
ALA A 125
 None
EDO  A 902 (-3.3A)
None
None
None
 1.15A 5o96E-3p9cA:
undetectable
5o96F-3p9cA:
undetectable		 5o96E-3p9cA:
20.38
5o96F-3p9cA:
20.38
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.
3tju GRANZYME H

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 211
GLY A 198
GLY A  46
VAL A 202
LEU A 201
 None
 1.17A 5o96E-3tjuA:
undetectable
5o96F-3tjuA:
undetectable		 5o96E-3tjuA:
22.96
5o96F-3tjuA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 LEU A 153
GLY A 157
GLY A 190
LEU A 236
ALA A 235
 None
 1.09A 5o96E-3u4gA:
2.1
5o96F-3u4gA:
undetectable		 5o96E-3u4gA:
18.90
5o96F-3u4gA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 338
LEU A 105
GLY A 371
GLY A 365
ALA A 324
 None
 1.16A 5o96E-3v4bA:
undetectable
5o96F-3v4bA:
undetectable		 5o96E-3v4bA:
19.33
5o96F-3v4bA:
19.33
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 LEU A 503
GLY A 504
VAL A 500
LEU A 501
ALA A 488
 None
 1.10A 5o96E-3w5nA:
undetectable
5o96F-3w5nA:
undetectable		 5o96E-3w5nA:
11.98
5o96F-3w5nA:
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 LEU A 568
GLY A 566
GLY A 563
VAL A 490
ALA A 571
 None
None
None
RDF  A1665 ( 4.3A)
None
 1.05A 5o96E-3zukA:
undetectable
5o96F-3zukA:
undetectable		 5o96E-3zukA:
19.17
5o96F-3zukA:
19.17
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.
4b28 METALLOPEPTIDASE,
FAMILY M24, PUTATIVE

(Roseobacter
denitrificans) 		PF00557
(Peptidase_M24) 		5 GLU A 192
GLY A 190
LEU A 170
ARG A 172
ALA A  73
 None
 1.10A 5o96E-4b28A:
undetectable
5o96F-4b28A:
undetectable		 5o96E-4b28A:
21.23
5o96F-4b28A:
21.23
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.
4b28 METALLOPEPTIDASE,
FAMILY M24, PUTATIVE

(Roseobacter
denitrificans) 		PF00557
(Peptidase_M24) 		5 LEU A 163
GLU A 192
GLY A 190
LEU A 170
ALA A  73
 None
 1.18A 5o96E-4b28A:
undetectable
5o96F-4b28A:
undetectable		 5o96E-4b28A:
21.23
5o96F-4b28A:
21.23
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 233
GLY A 193
VAL A 255
ARG A 276
ALA A 266
 None
 1.14A 5o96E-4cakA:
undetectable
5o96F-4cakA:
undetectable		 5o96E-4cakA:
14.47
5o96F-4cakA:
14.47
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		5 GLY A 111
GLY A 116
VAL A 139
LEU A 140
ALA A 145
 SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 ( 4.3A)
SAH  A1157 (-3.8A)
SAH  A1157 ( 3.7A)
 0.62A 5o96E-4cngA:
13.6
5o96F-4cngA:
10.9		 5o96E-4cngA:
24.10
5o96F-4cngA:
24.10
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLN A 408
GLY A 508
VAL A 366
LEU A 365
ALA A 400
 None
 0.95A 5o96E-4e1jA:
undetectable
5o96F-4e1jA:
undetectable		 5o96E-4e1jA:
18.33
5o96F-4e1jA:
18.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Escherichia
coli) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
PRO A 173
GLY A 194
GLY A 198
LEU A 222
 None
 0.84A 5o96E-4e8bA:
25.5
5o96F-4e8bA:
31.4		 5o96E-4e8bA:
48.39
5o96F-4e8bA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Escherichia
coli) 		PF04452
(Methyltrans_RNA) 		5 LEU A 171
PRO A 173
VAL A 221
LEU A 222
ARG A 223
 None
 0.79A 5o96E-4e8bA:
25.5
5o96F-4e8bA:
31.4		 5o96E-4e8bA:
48.39
5o96F-4e8bA:
48.39
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.
4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 LEU A  19
PRO A   7
GLY A  41
VAL A  74
ALA A 327
 None
 1.13A 5o96E-4j16A:
3.2
5o96F-4j16A:
2.5		 5o96E-4j16A:
22.93
5o96F-4j16A:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j3c RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Sinorhizobium
meliloti) 		PF04452
(Methyltrans_RNA) 		5 GLY A 195
GLY A 199
LEU A 224
ARG A 225
ALA A 229
 None
 0.91A 5o96E-4j3cA:
23.2
5o96F-4j3cA:
22.9		 5o96E-4j3cA:
31.27
5o96F-4j3cA:
31.27
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.
4j7m PROTEIN DOM3Z

(Mus musculus) 		PF08652
(RAI1) 		5 LEU A 124
GLY A 122
GLY A 120
ARG A 223
ALA A 127
 None
 0.85A 5o96E-4j7mA:
undetectable
5o96F-4j7mA:
undetectable		 5o96E-4j7mA:
18.72
5o96F-4j7mA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 LEU A 449
GLY A 447
GLY A 445
LEU A 403
ALA A 428
 None
 0.92A 5o96E-4kh3A:
undetectable
5o96F-4kh3A:
undetectable		 5o96E-4kh3A:
19.17
5o96F-4kh3A:
19.17
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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
oryzae) 		PF01156
(IU_nuc_hydro) 		5 LEU A 401
GLY A 432
LEU A 414
ARG A 438
ALA A 442
 None
 1.16A 5o96E-4kl0A:
4.0
5o96F-4kl0A:
3.9		 5o96E-4kl0A:
23.62
5o96F-4kl0A:
23.62
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		5 LEU A 175
GLY A 199
GLY A 203
VAL A 226
ALA A 232
 None
 0.67A 5o96E-4l69A:
14.9
5o96F-4l69A:
27.0		 5o96E-4l69A:
29.77
5o96F-4l69A:
29.77
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 LEU A  75
GLY A 114
GLU A 127
ARG A  93
ALA A  95
 None
 1.18A 5o96E-4ng3A:
undetectable
5o96F-4ng3A:
undetectable		 5o96E-4ng3A:
21.43
5o96F-4ng3A:
21.43
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 LEU A 112
PRO A 114
GLU A  38
GLY A  40
ALA A 125
 None
 1.17A 5o96E-4pghA:
undetectable
5o96F-4pghA:
undetectable		 5o96E-4pghA:
19.78
5o96F-4pghA:
19.78
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Rattus
norvegicus) 		PF00083
(Sugar_tr) 		5 LEU A 161
PRO A 165
GLY A 159
LEU A 152
ALA A 153
 None
 1.04A 5o96E-4ybqA:
undetectable
5o96F-4ybqA:
undetectable		 5o96E-4ybqA:
19.11
5o96F-4ybqA:
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.
4yqz PUTATIVE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 GLN A  26
GLY A  14
GLY A  18
VAL A  32
ALA A  48
 None
 0.91A 5o96E-4yqzA:
2.9
5o96F-4yqzA:
undetectable		 5o96E-4yqzA:
21.98
5o96F-4yqzA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 PRO A 181
GLY A 217
GLU A 215
GLY A 213
ALA A  48
 None
NAD  A 501 (-3.4A)
None
NAD  A 501 (-3.3A)
None
 1.11A 5o96E-4zwlA:
2.7
5o96F-4zwlA:
undetectable		 5o96E-4zwlA:
18.98
5o96F-4zwlA:
18.98
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 495
GLU A 612
GLY A 497
VAL A 876
ALA A 857
 None
 1.17A 5o96E-5a0zA:
undetectable
5o96F-5a0zA:
undetectable		 5o96E-5a0zA:
17.11
5o96F-5a0zA:
17.11
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.
5ch6 FRIGIDA

(Vitis vinifera) 		PF07899
(Frigida) 		5 LEU A 240
GLY A 245
VAL A 158
LEU A 159
ALA A 209
 None
 1.08A 5o96E-5ch6A:
undetectable
5o96F-5ch6A:
undetectable		 5o96E-5ch6A:
20.41
5o96F-5ch6A:
20.41
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 GLY B 101
GLU B 103
GLY B 106
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.87A 5o96E-5co4B:
9.6
5o96F-5co4B:
11.0		 5o96E-5co4B:
19.59
5o96F-5co4B:
19.59
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.
5diz PROTEINACEOUS RNASE
P 2

(Arabidopsis
thaliana) 		PF16953
(PRORP)
PF17177
(PPR_long) 		5 GLY A 123
GLY A 125
VAL A 115
LEU A 118
ARG A 117
 None
 1.07A 5o96E-5dizA:
undetectable
5o96F-5dizA:
undetectable		 5o96E-5dizA:
17.88
5o96F-5dizA:
17.88
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.
5dn6 ATP SYNTHASE GAMMA
CHAIN

(Paracoccus
denitrificans) 		PF00231
(ATP-synt) 		5 GLN G 127
LEU G  80
GLU G 131
GLY G 133
ALA G 101
 None
 1.09A 5o96E-5dn6G:
undetectable
5o96F-5dn6G:
undetectable		 5o96E-5dn6G:
23.08
5o96F-5dn6G:
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.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		5 GLY A 284
GLU A 282
GLY A 286
VAL A 243
LEU A 246
 None
 1.09A 5o96E-5fvnA:
undetectable
5o96F-5fvnA:
undetectable		 5o96E-5fvnA:
18.75
5o96F-5fvnA:
18.75
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.
5gs6 NS1 OF ZIKA VIRUS
FROM 2015 BRAZIL
STRAIN

(Zika virus) 		PF00948
(Flavi_NS1) 		5 LEU A  79
GLU A 110
GLY A 114
LEU A  42
ARG A  41
 None
 1.19A 5o96E-5gs6A:
undetectable
5o96F-5gs6A:
undetectable		 5o96E-5gs6A:
22.50
5o96F-5gs6A:
22.50
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		5 PRO A  70
GLY A 283
GLY A 124
LEU A 280
ALA A 313
 None
None
PMP  A 500 (-3.2A)
None
None
 1.01A 5o96E-5hdmA:
undetectable
5o96F-5hdmA:
undetectable		 5o96E-5hdmA:
20.31
5o96F-5hdmA:
20.31
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.
5jy7 MALTOKINASE

(Mycolicibacterium
smegmatis) 		PF01636
(APH) 		5 LEU I 319
GLU I 232
GLY I 203
ARG I 235
ALA I 239
 None
 1.09A 5o96E-5jy7I:
undetectable
5o96F-5jy7I:
undetectable		 5o96E-5jy7I:
21.75
5o96F-5jy7I:
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.
5lq4 CYAGOX

(Cyanothece sp.
PCC 7425) 		PF00881
(Nitroreductase) 		5 LEU A  40
PRO A  38
GLY A  70
GLU A  68
GLY A  66
 None
 1.10A 5o96E-5lq4A:
undetectable
5o96F-5lq4A:
undetectable		 5o96E-5lq4A:
20.34
5o96F-5lq4A:
20.34
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		5 LEU A 394
GLY A 396
GLY A 399
ARG A 125
ALA A 115
 None
 1.11A 5o96E-5m10A:
undetectable
5o96F-5m10A:
undetectable		 5o96E-5m10A:
17.98
5o96F-5m10A:
17.98
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.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		5 LEU A 248
PRO A 275
GLY A 251
VAL A 310
LEU A 311
 None
 0.98A 5o96E-5m7rA:
3.6
5o96F-5m7rA:
3.1		 5o96E-5m7rA:
14.47
5o96F-5m7rA:
14.47
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A   6
PRO A   5
GLY A 272
LEU A 362
ALA A 274
 None
 1.13A 5o96E-5mdnA:
undetectable
5o96F-5mdnA:
undetectable		 5o96E-5mdnA:
14.25
5o96F-5mdnA:
14.25
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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		5 GLY A 138
GLY A 304
VAL A 462
ARG A 459
ALA A 383
 None
None
None
7O9  A 602 (-4.0A)
None
 1.15A 5o96E-5mjuA:
undetectable
5o96F-5mjuA:
undetectable		 5o96E-5mjuA:
20.00
5o96F-5mjuA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 6 LEU A 173
PRO A 175
GLU A 198
GLY A 200
VAL A 223
ARG A 225
 SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
SAM  A 501 (-4.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.4A)
SAM  A 501 (-4.8A)
 1.28A 5o96E-5o96A:
37.4
5o96F-5o96A:
38.3		 5o96E-5o96A:
100.00
5o96F-5o96A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 8 LEU A 173
PRO A 175
GLY A 196
GLY A 200
VAL A 223
LEU A 224
ARG A 225
ALA A 229
 SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SAM  A 501 (-4.8A)
SAM  A 501 (-3.3A)
 0.59A 5o96E-5o96A:
37.4
5o96F-5o96A:
38.3		 5o96E-5o96A:
100.00
5o96F-5o96A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o96 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Legionella
pneumophila) 		no annotation 5 PRO A 175
GLY A 199
VAL A 223
LEU A 224
ALA A 229
 SAM  A 501 (-3.4A)
None
SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SAM  A 501 (-3.3A)
 0.68A 5o96E-5o96A:
37.4
5o96F-5o96A:
38.3		 5o96E-5o96A:
100.00
5o96F-5o96A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 GLY A  65
GLY A  60
VAL A 304
LEU A 449
ALA A 473
 None
FAD  A 501 (-3.1A)
None
None
None
 1.03A 5o96E-5ttkA:
undetectable
5o96F-5ttkA:
undetectable		 5o96E-5ttkA:
20.51
5o96F-5ttkA:
20.51
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		5 LEU A 248
PRO A 275
GLY A 251
VAL A 310
LEU A 311
 None
 1.02A 5o96E-5uhkA:
4.3
5o96F-5uhkA:
3.5		 5o96E-5uhkA:
23.68
5o96F-5uhkA:
23.68
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.
5uhp O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		5 LEU A 248
PRO A 275
GLY A 251
VAL A 310
LEU A 311
 None
 0.96A 5o96E-5uhpA:
3.0
5o96F-5uhpA:
3.4		 5o96E-5uhpA:
22.66
5o96F-5uhpA:
22.66
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 PRO A 664
GLY A 700
GLU A 698
GLY A 696
ALA A 533
 None
 1.12A 5o96E-5ur2A:
3.2
5o96F-5ur2A:
undetectable		 5o96E-5ur2A:
13.20
5o96F-5ur2A:
13.20
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.
5v52 T-CELL
IMMUNORECEPTOR WITH
IG AND ITIM DOMAINS

(Homo sapiens) 		PF07686
(V-set) 		5 LEU A  93
GLY A  88
GLY A  90
VAL A  57
ALA A  67
 None
 1.05A 5o96E-5v52A:
undetectable
5o96F-5v52A:
undetectable		 5o96E-5v52A:
20.08
5o96F-5v52A:
20.08
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		5 LEU A 248
PRO A 275
GLY A 251
VAL A 310
LEU A 311
 None
 1.01A 5o96E-5vvoA:
3.4
5o96F-5vvoA:
2.8		 5o96E-5vvoA:
20.16
5o96F-5vvoA:
20.16
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 5 PRO A 182
VAL A 440
LEU A 441
ARG A 442
ALA A 448
 None
 1.08A 5o96E-5w4zA:
3.8
5o96F-5w4zA:
3.6		 5o96E-5w4zA:
undetectable
5o96F-5w4zA:
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.
5x68 KYNURENINE
3-MONOOXYGENASE

(Homo sapiens) 		no annotation 6 LEU A  22
GLY A 303
VAL A 326
LEU A 325
ARG A  61
ALA A  65
 None
FAD  A 401 (-3.4A)
None
None
None
None
 1.15A 5o96E-5x68A:
undetectable
5o96F-5x68A:
undetectable		 5o96E-5x68A:
undetectable
5o96F-5x68A:
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 PRO C 121
GLY C 131
GLY C 298
VAL C  67
LEU C  68
 None
 1.15A 5o96E-5y6qC:
undetectable
5o96F-5y6qC:
undetectable		 5o96E-5y6qC:
undetectable
5o96F-5y6qC:
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.
5z59 PROTEIN-TYROSINE
PHOSPHATASE

(Thermococcus
kodakarensis) 		no annotation 5 LEU A  97
GLY A 101
GLY A 104
ARG A 124
ALA A 130
 None
 1.14A 5o96E-5z59A:
undetectable
5o96F-5z59A:
undetectable		 5o96E-5z59A:
undetectable
5o96F-5z59A:
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 GLY I 274
GLY I 160
VAL I  79
LEU I 110
ALA I 116
 None
 1.09A 5o96E-6esqI:
undetectable
5o96F-6esqI:
undetectable		 5o96E-6esqI:
undetectable
5o96F-6esqI:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 423
GLY A 429
VAL A 462
LEU A 433
ARG A 441
 None
 1.18A 5o96E-6f42A:
undetectable
5o96F-6f42A:
undetectable		 5o96E-6f42A:
undetectable
5o96F-6f42A:
undetectable