SIMILAR PATTERNS OF AMINO ACIDS FOR 5O96_B_SAMB501_0

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.
1g5z OUTER SURFACE
PROTEIN C

(Borreliella
burgdorferi) 		PF01441
(Lipoprotein_6) 		6 LEU A  96
ILE A  77
GLY A  78
LEU A  97
LEU A 149
ALA A 154
 None
 1.24A 5o96A-1g5zA:
undetectable
5o96B-1g5zA:
undetectable		 5o96A-1g5zA:
22.98
5o96B-1g5zA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1id5 THROMBIN

(Bos taurus) 		PF00089
(Trypsin) 		5 LEU H  53
ILE H 212
GLY H 196
GLY H  43
LEU H 105
 None
 0.99A 5o96A-1id5H:
undetectable
5o96B-1id5H:
undetectable		 5o96A-1id5H:
21.03
5o96B-1id5H:
21.03
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 ILE A 335
GLY A 328
GLY A 330
LEU A 275
ALA A 283
 None
 0.95A 5o96A-1k1dA:
undetectable
5o96B-1k1dA:
undetectable		 5o96A-1k1dA:
21.55
5o96B-1k1dA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 202
ILE A  14
GLY A  15
GLY A  20
LEU A 370
 None
FAD  A 800 (-4.6A)
FAD  A 800 (-3.1A)
None
None
 0.80A 5o96A-1knrA:
undetectable
5o96B-1knrA:
undetectable		 5o96A-1knrA:
17.84
5o96B-1knrA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		5 LEU A  32
ILE A  60
GLY A  61
GLY A  83
ALA A  43
 None
 0.99A 5o96A-1kyhA:
undetectable
5o96B-1kyhA:
2.9		 5o96A-1kyhA:
23.37
5o96B-1kyhA:
23.37
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.
1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF02574
(S-methyl_trans) 		5 PRO A 221
ILE A 296
GLY A 297
GLY A 298
ALA A 285
 None
 0.87A 5o96A-1lt8A:
3.1
5o96B-1lt8A:
2.2		 5o96A-1lt8A:
22.76
5o96B-1lt8A:
22.76
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.
1ns5 HYPOTHETICAL PROTEIN
YBEA

(Escherichia
coli) 		PF02590
(SPOUT_MTase) 		6 LEU A  72
ILE A 102
GLY A 103
GLY A 107
LEU A 122
LEU A 127
 None
 0.42A 5o96A-1ns5A:
9.9
5o96B-1ns5A:
10.2		 5o96A-1ns5A:
22.05
5o96B-1ns5A:
22.05
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) 		5 ILE A 194
GLY A 195
LEU A 218
LEU A 223
ALA A 228
 None
 0.61A 5o96A-1nxzA:
29.9
5o96B-1nxzA:
30.0		 5o96A-1nxzA:
49.59
5o96B-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) 		5 LEU A 171
GLY A 195
LEU A 218
LEU A 223
ALA A 228
 None
 0.88A 5o96A-1nxzA:
29.9
5o96B-1nxzA:
30.0		 5o96A-1nxzA:
49.59
5o96B-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.
1o4v PHOSPHORIBOSYLAMINOI
MIDAZOLE MUTASE PURE

(Thermotoga
maritima) 		PF00731
(AIRC) 		5 ARG A 146
LEU A  24
ILE A  29
GLY A  28
ALA A 126
 None
 0.87A 5o96A-1o4vA:
4.3
5o96B-1o4vA:
4.6		 5o96A-1o4vA:
20.73
5o96B-1o4vA:
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		5 LEU A  87
PRO A  89
GLY A 113
GLY A 117
LEU A 138
 SAH  A 300 (-4.4A)
SAH  A 300 (-3.8A)
SAH  A 300 (-3.2A)
SAH  A 300 (-3.6A)
SAH  A 300 (-4.1A)
 0.68A 5o96A-1p9pA:
8.0
5o96B-1p9pA:
7.5		 5o96A-1p9pA:
22.49
5o96B-1p9pA:
22.49
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 LEU B 465
ILE B 463
GLY B 444
LEU B 375
LEU B 365
 None
 0.96A 5o96A-1qh1B:
2.6
5o96B-1qh1B:
2.7		 5o96A-1qh1B:
19.39
5o96B-1qh1B:
19.39
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU C  36
PRO C  38
ILE C  30
GLY C  32
LEU C  40
 FAD  C4931 (-4.2A)
None
FAD  C4931 ( 4.8A)
GOL  C3907 ( 3.4A)
None
 1.00A 5o96A-1t3qC:
undetectable
5o96B-1t3qC:
undetectable		 5o96A-1t3qC:
25.17
5o96B-1t3qC:
25.17
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.
1uju SCRIBBLE

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A  46
GLY A  29
GLY A  33
LEU A  80
ALA A  85
 None
 0.91A 5o96A-1ujuA:
undetectable
5o96B-1ujuA:
undetectable		 5o96A-1ujuA:
18.15
5o96B-1ujuA:
18.15
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ARG A 194
ILE A 352
GLY A 350
GLY A 349
LEU A 186
 None
 1.02A 5o96A-1ulqA:
undetectable
5o96B-1ulqA:
undetectable		 5o96A-1ulqA:
22.82
5o96B-1ulqA:
22.82
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.
1v4v UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Thermus
thermophilus) 		PF02350
(Epimerase_2) 		5 LEU A  34
PRO A  36
ILE A  31
GLY A  30
ALA A 358
 None
 0.81A 5o96A-1v4vA:
3.9
5o96B-1v4vA:
3.6		 5o96A-1v4vA:
22.11
5o96B-1v4vA:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v6z HYPOTHETICAL PROTEIN
TTHA0657

(Thermus
thermophilus) 		PF04452
(Methyltrans_RNA) 		5 GLY A 181
GLY A 185
LEU A 204
LEU A 209
ALA A 214
 None
 0.40A 5o96A-1v6zA:
21.1
5o96B-1v6zA:
17.8		 5o96A-1v6zA:
34.00
5o96B-1v6zA:
34.00
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 227
LEU A 232
ALA A 237
 None
 0.35A 5o96A-1vhkA:
20.5
5o96B-1vhkA:
20.6		 5o96A-1vhkA:
32.32
5o96B-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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 LEU A 210
ILE A 192
GLY A 190
LEU A 202
ALA A 201
 None
FMN  A 322 (-4.7A)
FMN  A 322 (-3.5A)
None
None
 0.98A 5o96A-1vhnA:
undetectable
5o96B-1vhnA:
3.3		 5o96A-1vhnA:
20.13
5o96B-1vhnA:
20.13
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.
1vs3 TRNA PSEUDOURIDINE
SYNTHASE A

(Thermus
thermophilus) 		PF01416
(PseudoU_synth_1) 		5 LEU A  36
ILE A  39
GLY A  38
LEU A  32
LEU A  83
 None
 0.94A 5o96A-1vs3A:
undetectable
5o96B-1vs3A:
undetectable		 5o96A-1vs3A:
22.66
5o96B-1vs3A:
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.
1whb KIAA0055

(Homo sapiens) 		PF00581
(Rhodanese) 		5 LEU A 111
ILE A  60
GLY A 105
LEU A  92
ALA A  38
 None
 0.97A 5o96A-1whbA:
undetectable
5o96B-1whbA:
undetectable		 5o96A-1whbA:
21.51
5o96B-1whbA:
21.51
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.
1wy0 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00348
(polyprenyl_synt) 		5 ILE A 192
GLY A 193
GLY A  62
LEU A  55
ALA A  68
 None
 1.00A 5o96A-1wy0A:
undetectable
5o96B-1wy0A:
undetectable		 5o96A-1wy0A:
23.92
5o96B-1wy0A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xg2 PECTINESTERASE
INHIBITOR

(Actinidia
chinensis) 		PF04043
(PMEI) 		5 LEU B 138
ILE B  43
GLY B  37
LEU B  17
ALA B  21
 None
 0.78A 5o96A-1xg2B:
undetectable
5o96B-1xg2B:
undetectable		 5o96A-1xg2B:
19.84
5o96B-1xg2B:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A  53
GLY A 196
GLY A  41
LEU A 105
ALA A 104
 None
 0.93A 5o96A-1zlrA:
undetectable
5o96B-1zlrA:
undetectable		 5o96A-1zlrA:
22.73
5o96B-1zlrA:
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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 LEU A 192
ILE A 171
GLY A 168
LEU A 117
ALA A 114
 None
 1.02A 5o96A-2b4mA:
undetectable
5o96B-2b4mA:
undetectable		 5o96A-2b4mA:
21.81
5o96B-2b4mA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cr5 REPRODUCTION 8

(Mus musculus) 		PF00789
(UBX) 		5 LEU A  82
ILE A  87
GLY A  86
LEU A  49
LEU A  65
 None
 0.95A 5o96A-2cr5A:
undetectable
5o96B-2cr5A:
undetectable		 5o96A-2cr5A:
17.70
5o96B-2cr5A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dbr GLYOXYLATE REDUCTASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 210
ILE A 156
GLY A 157
GLY A 162
LEU A 236
 None
None
NAP  A 401 ( 3.7A)
None
None
 0.91A 5o96A-2dbrA:
3.4
5o96B-2dbrA:
3.4		 5o96A-2dbrA:
23.31
5o96B-2dbrA:
23.31
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.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 ARG A  33
ILE A  13
GLY A  14
GLY A   8
LEU A 190
 NAI  A4000 (-3.8A)
NAI  A4000 (-4.0A)
None
NAI  A4000 (-3.5A)
NAI  A4000 (-3.7A)
 0.89A 5o96A-2dknA:
undetectable
5o96B-2dknA:
2.1		 5o96A-2dknA:
25.62
5o96B-2dknA:
25.62
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 170
ILE A   5
GLY A   6
GLY A  11
LEU A 332
 None
FAD  A1002 (-4.5A)
FAD  A1002 (-3.3A)
None
None
 0.99A 5o96A-2e5vA:
undetectable
5o96B-2e5vA:
undetectable		 5o96A-2e5vA:
21.40
5o96B-2e5vA:
21.40
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 208
LEU A 213
ALA A 218
 SAH  A 300 ( 3.7A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 4.0A)
SAH  A 300 ( 3.6A)
 0.40A 5o96A-2egwA:
26.6
5o96B-2egwA:
26.7		 5o96A-2egwA:
31.23
5o96B-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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 212
ILE A  28
GLY A  29
GLY A  34
LEU A 434
 None
None
FAD  A1000 (-3.3A)
None
None
 0.89A 5o96A-2fjaA:
2.2
5o96B-2fjaA:
2.4		 5o96A-2fjaA:
19.79
5o96B-2fjaA:
19.79
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		5 LEU A 313
PRO A 252
ILE A 294
LEU A 270
LEU A 262
 None
 0.98A 5o96A-2h39A:
undetectable
5o96B-2h39A:
undetectable		 5o96A-2h39A:
18.82
5o96B-2h39A:
18.82
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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 PRO A  89
ILE A  25
GLY A  22
GLY A  19
ALA A 326
 None
 0.90A 5o96A-2i3aA:
2.9
5o96B-2i3aA:
2.9		 5o96A-2i3aA:
19.05
5o96B-2i3aA:
19.05
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		6 LEU A 185
GLY A 230
GLY A 189
LEU A 207
LEU A 214
ALA A 212
 None
 1.36A 5o96A-2pqdA:
undetectable
5o96B-2pqdA:
undetectable		 5o96A-2pqdA:
19.91
5o96B-2pqdA:
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 LEU A 117
ILE A  14
GLY A  15
GLY A  20
LEU A 279
 None
None
FAD  A 348 (-3.3A)
None
None
 0.88A 5o96A-2q7vA:
2.8
5o96B-2q7vA:
2.8		 5o96A-2q7vA:
25.30
5o96B-2q7vA:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qmm UPF0217 PROTEIN
AF_1056

(Archaeoglobus
fulgidus) 		PF04013
(Methyltrn_RNA_2) 		6 LEU A 221
ILE A 241
GLY A 242
GLY A 246
LEU A 265
LEU A 270
 SAM  A 301 (-4.3A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.4A)
SAM  A 301 (-4.5A)
 0.73A 5o96A-2qmmA:
10.9
5o96B-2qmmA:
11.2		 5o96A-2qmmA:
25.40
5o96B-2qmmA:
25.40
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ARG A 100
ILE A 104
GLY A 155
LEU A 240
ALA A 174
 None
 1.01A 5o96A-2rjtA:
undetectable
5o96B-2rjtA:
undetectable		 5o96A-2rjtA:
18.41
5o96B-2rjtA:
18.41
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.
2uye REGULATORY PROTEIN

(Burkholderia
cepacia) 		PF03466
(LysR_substrate) 		5 LEU A 213
ILE A 218
GLY A 217
LEU A 268
ALA A 266
 SCN  A1306 ( 4.9A)
None
None
SCN  A1306 ( 4.5A)
SCN  A1306 ( 4.1A)
 0.93A 5o96A-2uyeA:
undetectable
5o96B-2uyeA:
undetectable		 5o96A-2uyeA:
20.51
5o96B-2uyeA:
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.
2v5g YSCU

(Yersinia
enterocolitica) 		PF01312
(Bac_export_2) 		5 ARG A 296
ILE A 271
GLY A 270
LEU A 341
LEU A 307
 None
 1.01A 5o96A-2v5gA:
undetectable
5o96B-2v5gA:
undetectable		 5o96A-2v5gA:
20.73
5o96B-2v5gA:
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.
2x6n INTEGRASE

(Simian foamy
virus) 		PF00665
(rve) 		5 LEU A 295
ILE A 298
LEU A 284
LEU A 251
ALA A 252
 None
 0.88A 5o96A-2x6nA:
undetectable
5o96B-2x6nA:
undetectable		 5o96A-2x6nA:
19.59
5o96B-2x6nA:
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.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		5 LEU X 136
ILE X 155
GLY X 156
GLY X 160
LEU X 184
 SAM  X 501 (-4.3A)
SAM  X 501 ( 4.8A)
SAM  X 501 (-3.2A)
SAM  X 501 ( 4.2A)
SAM  X 501 (-4.3A)
 0.77A 5o96A-3ai9X:
10.9
5o96B-3ai9X:
11.1		 5o96A-3ai9X:
19.53
5o96B-3ai9X:
19.53
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.
3ai9 UPF0217 PROTEIN
MJ1640

(Methanocaldococcus
jannaschii) 		PF04013
(Methyltrn_RNA_2) 		5 LEU X 136
ILE X 155
GLY X 156
LEU X 179
LEU X 184
 SAM  X 501 (-4.3A)
SAM  X 501 ( 4.8A)
SAM  X 501 (-3.2A)
SAM  X 501 (-4.4A)
SAM  X 501 (-4.3A)
 0.62A 5o96A-3ai9X:
10.9
5o96B-3ai9X:
11.1		 5o96A-3ai9X:
19.53
5o96B-3ai9X:
19.53
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.
3bz6 UPF0502 PROTEIN
PSPTO_2686

(Pseudomonas
syringae group
genomosp. 3) 		PF04337
(DUF480) 		5 LEU A  17
ILE A 172
GLY A 173
LEU A  81
LEU A  27
 None
 0.91A 5o96A-3bz6A:
undetectable
5o96B-3bz6A:
undetectable		 5o96A-3bz6A:
20.95
5o96B-3bz6A:
20.95
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 LEU A 224
ILE A 230
GLY A 229
GLY A  13
LEU A  57
 None
 0.96A 5o96A-3c3yA:
undetectable
5o96B-3c3yA:
undetectable		 5o96A-3c3yA:
22.43
5o96B-3c3yA:
22.43
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.
3f08 UNCHARACTERIZED
PROTEIN Q6HG14

(Bacillus
thuringiensis) 		PF10604
(Polyketide_cyc2) 		5 LEU A  48
PRO A  35
ILE A  56
GLY A  53
LEU A  27
 None
 0.80A 5o96A-3f08A:
undetectable
5o96B-3f08A:
undetectable		 5o96A-3f08A:
24.21
5o96B-3f08A:
24.21
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.
3g7k 3-METHYLITACONATE
ISOMERASE

(Eubacterium
barkeri) 		PF04303
(PrpF) 		5 ARG A  13
ILE A 108
GLY A 104
GLY A 102
ALA A 144
 None
 1.01A 5o96A-3g7kA:
undetectable
5o96B-3g7kA:
undetectable		 5o96A-3g7kA:
20.10
5o96B-3g7kA:
20.10
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.
3hi0 PUTATIVE
EXOPOLYPHOSPHATASE

(Agrobacterium
fabrum) 		PF02541
(Ppx-GppA) 		5 LEU A 153
ILE A 165
GLY A 164
GLY A 162
LEU A 200
 None
 0.94A 5o96A-3hi0A:
undetectable
5o96B-3hi0A:
undetectable		 5o96A-3hi0A:
18.90
5o96B-3hi0A:
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.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 242
ILE A 159
GLY A 160
GLY A 165
LEU A 132
 None
 0.99A 5o96A-3icsA:
3.8
5o96B-3icsA:
3.3		 5o96A-3icsA:
19.10
5o96B-3icsA:
19.10
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.
3qgk FUSION OF UREASE
BETA AND GAMMA
SUBUNITS

(Helicobacter
mustelae) 		PF00547
(Urease_gamma)
PF00699
(Urease_beta) 		5 ILE A 100
GLY A  75
GLY A  73
LEU A  30
ALA A  35
 None
 0.99A 5o96A-3qgkA:
undetectable
5o96B-3qgkA:
undetectable		 5o96A-3qgkA:
25.65
5o96B-3qgkA:
25.65
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.
3r5x D-ALANINE--D-ALANINE
LIGASE

(Bacillus
anthracis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A  74
ILE A  79
GLY A  78
LEU A  46
ALA A  50
 None
 0.86A 5o96A-3r5xA:
undetectable
5o96B-3r5xA:
undetectable		 5o96A-3r5xA:
21.07
5o96B-3r5xA:
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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ARG A  97
ILE A 101
GLY A 152
LEU A 238
ALA A 171
 None
 0.95A 5o96A-3u0fA:
undetectable
5o96B-3u0fA:
undetectable		 5o96A-3u0fA:
20.99
5o96B-3u0fA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 PRO A 587
ILE A 506
GLY A 502
LEU A 496
ALA A 495
 None
 0.99A 5o96A-4b9yA:
undetectable
5o96B-4b9yA:
undetectable		 5o96A-4b9yA:
15.41
5o96B-4b9yA:
15.41
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.
4bxj AMPDH3

(Pseudomonas
aeruginosa) 		PF01510
(Amidase_2) 		5 LEU A 166
ILE A 171
GLY A 170
LEU A 124
ALA A 128
 None
 1.01A 5o96A-4bxjA:
undetectable
5o96B-4bxjA:
undetectable		 5o96A-4bxjA:
22.58
5o96B-4bxjA:
22.58
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		6 LEU V1265
PRO V1120
ILE V1183
GLY V1182
LEU V1123
LEU V1149
 None
 1.36A 5o96A-4bxsV:
undetectable
5o96B-4bxsV:
undetectable		 5o96A-4bxsV:
11.11
5o96B-4bxsV:
11.11
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.
4dw1 P2X PURINOCEPTOR

(Danio rerio) 		PF00864
(P2X_receptor) 		5 LEU A 182
PRO A 180
GLY A 319
GLY A 253
ALA A 185
 None
 0.99A 5o96A-4dw1A:
undetectable
5o96B-4dw1A:
undetectable		 5o96A-4dw1A:
23.19
5o96B-4dw1A:
23.19
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 ILE A 193
GLY A 194
GLY A 198
LEU A 217
LEU A 222
 None
 0.85A 5o96A-4e8bA:
31.3
5o96B-4e8bA:
31.3		 5o96A-4e8bA:
48.39
5o96B-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.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		5 ILE A 313
GLY A 312
GLY A 295
LEU A 124
ALA A  20
 None
None
FAD  A 602 (-3.4A)
None
None
 0.82A 5o96A-4eipA:
undetectable
5o96B-4eipA:
2.8		 5o96A-4eipA:
20.45
5o96B-4eipA:
20.45
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ARG A 345
LEU A 465
ILE A 467
LEU A 432
LEU A 485
 None
 0.96A 5o96A-4fffA:
undetectable
5o96B-4fffA:
undetectable		 5o96A-4fffA:
20.29
5o96B-4fffA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmw RNA
(GUANINE-9-)-METHYLT
RANSFERASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 186
ILE A 205
GLY A 206
LEU A 232
LEU A 246
 SAH  A 301 (-4.1A)
SAH  A 301 (-4.5A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.1A)
 0.54A 5o96A-4fmwA:
5.7
5o96B-4fmwA:
9.8		 5o96A-4fmwA:
21.05
5o96B-4fmwA:
21.05
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 PRO A 118
ILE A 202
GLY A 201
GLY A 122
ALA A 126
 GOL  A 511 ( 3.7A)
None
None
None
None
 0.88A 5o96A-4g4iA:
undetectable
5o96B-4g4iA:
undetectable		 5o96A-4g4iA:
19.82
5o96B-4g4iA:
19.82
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 LEU B 177
GLY B 175
GLY B 173
LEU B 251
ALA B 180
 None
 1.00A 5o96A-4hdsB:
2.4
5o96B-4hdsB:
2.8		 5o96A-4hdsB:
19.59
5o96B-4hdsB:
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.
4irv CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 ILE A 177
GLY A 174
LEU A  98
LEU A 104
ALA A  62
 None
 0.96A 5o96A-4irvA:
undetectable
5o96B-4irvA:
undetectable		 5o96A-4irvA:
19.92
5o96B-4irvA:
19.92
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) 		6 ILE A 194
GLY A 195
GLY A 199
LEU A 219
LEU A 224
ALA A 229
 None
 0.54A 5o96A-4j3cA:
18.5
5o96B-4j3cA:
18.5		 5o96A-4j3cA:
31.27
5o96B-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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 LEU D 168
ILE D 171
GLY D 189
GLY D 190
ALA D 352
 None
 0.97A 5o96A-4jrmD:
undetectable
5o96B-4jrmD:
undetectable		 5o96A-4jrmD:
22.33
5o96B-4jrmD:
22.33
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 LEU A 183
ILE A 202
GLY A 203
LEU A 229
LEU A 243
 SAH  A 401 (-4.2A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.6A)
 0.67A 5o96A-4jwhA:
8.5
5o96B-4jwhA:
9.2		 5o96A-4jwhA:
20.25
5o96B-4jwhA:
20.25
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.
4l69 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E

(Mycobacterium
tuberculosis) 		PF04452
(Methyltrans_RNA) 		5 LEU A 175
GLY A 199
GLY A 203
LEU A 222
ALA A 232
 None
 0.57A 5o96A-4l69A:
22.4
5o96B-4l69A:
22.7		 5o96A-4l69A:
29.77
5o96B-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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 340
ILE A 347
GLY A 346
GLY A 188
LEU A  13
 None
 0.98A 5o96A-4ls5A:
undetectable
5o96B-4ls5A:
undetectable		 5o96A-4ls5A:
21.97
5o96B-4ls5A:
21.97
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.
4ntd THIOREDOXIN
REDUCTASE

(Streptomyces
clavuligerus) 		PF07992
(Pyr_redox_2) 		5 LEU A 178
PRO A 199
GLY A 154
LEU A 193
ALA A 166
 None
 0.96A 5o96A-4ntdA:
3.1
5o96B-4ntdA:
3.1		 5o96A-4ntdA:
21.07
5o96B-4ntdA:
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A  15
GLY A 349
GLY A 250
LEU A  22
ALA A 254
 None
 0.91A 5o96A-4nzsA:
undetectable
5o96B-4nzsA:
undetectable		 5o96A-4nzsA:
20.40
5o96B-4nzsA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		5 LEU A 220
ILE A  15
GLY A  16
GLY A  21
LEU A 363
 None
FAD  A 500 (-4.7A)
FAD  A 500 (-3.5A)
None
None
 0.99A 5o96A-4wctA:
undetectable
5o96B-4wctA:
undetectable		 5o96A-4wctA:
19.96
5o96B-4wctA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 PRO A 300
GLY A 248
GLY A 246
LEU A  42
ALA A 253
 None
ANP  A 401 (-3.4A)
ANP  A 401 (-3.3A)
None
None
 1.01A 5o96A-4wjmA:
2.7
5o96B-4wjmA:
2.9		 5o96A-4wjmA:
25.49
5o96B-4wjmA:
25.49
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.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 203
ILE A 151
GLY A 152
GLY A 157
LEU A 229
 None
None
NAD  A 401 (-3.4A)
None
None
 0.88A 5o96A-4xkjA:
2.7
5o96B-4xkjA:
2.7		 5o96A-4xkjA:
22.51
5o96B-4xkjA:
22.51
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.
4yx5 SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAO
SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAO

(Salmonella
enterica;
Salmonella
enterica) 		no annotation
PF01052
(FliMN_C) 		5 ARG B  13
LEU A  35
ILE B  65
GLY B  52
LEU B  49
 None
 0.96A 5o96A-4yx5B:
undetectable
5o96B-4yx5B:
undetectable		 5o96A-4yx5B:
14.83
5o96B-4yx5B:
14.83
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 LEU A  55
ILE A  97
GLY A  58
LEU A 128
LEU A 125
 None
 1.02A 5o96A-4zo3A:
undetectable
5o96B-4zo3A:
undetectable		 5o96A-4zo3A:
22.22
5o96B-4zo3A:
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 GLY A 418
GLY A 415
LEU A  87
LEU A  84
ALA A 423
 None
 1.02A 5o96A-5a4jA:
undetectable
5o96B-5a4jA:
undetectable		 5o96A-5a4jA:
17.53
5o96B-5a4jA:
17.53
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.
5apg TSR3

(Vulcanisaeta
distributa) 		PF04034
(Ribo_biogen_C) 		5 LEU A  45
PRO A  47
LEU A  93
LEU A 110
ALA A 115
 EEM  A1185 (-3.9A)
EEM  A1185 (-3.9A)
EEM  A1185 (-3.9A)
EEM  A1185 (-4.1A)
EEM  A1185 (-3.4A)
 0.71A 5o96A-5apgA:
5.4
5o96B-5apgA:
5.2		 5o96A-5apgA:
21.51
5o96B-5apgA:
21.51
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 ILE B 459
GLY B 458
GLY B 503
LEU B 461
ALA B 416
 None
 0.95A 5o96A-5b4xB:
undetectable
5o96B-5b4xB:
undetectable		 5o96A-5b4xB:
18.02
5o96B-5b4xB:
18.02
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.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU E  53
GLY E 196
GLY E  43
LEU E 105
ALA E 104
 None
 0.97A 5o96A-5brrE:
undetectable
5o96B-5brrE:
undetectable		 5o96A-5brrE:
18.11
5o96B-5brrE:
18.11
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.
5c77 PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1

(Saccharomyces
cerevisiae) 		PF04252
(RNA_Me_trans) 		5 LEU A  83
PRO A  85
GLY A 105
GLY A 106
LEU A 133
 SAH  A 301 (-4.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.0A)
 0.75A 5o96A-5c77A:
8.2
5o96B-5c77A:
9.3		 5o96A-5c77A:
20.87
5o96B-5c77A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c77 PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1

(Saccharomyces
cerevisiae) 		PF04252
(RNA_Me_trans) 		5 LEU A  83
PRO A  85
GLY A 106
LEU A 133
ALA A 143
 SAH  A 301 (-4.5A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.0A)
SAH  A 301 ( 4.0A)
 0.52A 5o96A-5c77A:
8.2
5o96B-5c77A:
9.3		 5o96A-5c77A:
20.87
5o96B-5c77A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		6 ARG A 201
ILE A  69
GLY A  70
GLY A  72
LEU A 209
LEU A 177
 None
 1.21A 5o96A-5cwaA:
undetectable
5o96B-5cwaA:
undetectable		 5o96A-5cwaA:
20.04
5o96B-5cwaA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 ARG A 706
LEU A  47
ILE A  52
GLY A  51
LEU A  42
 None
 0.92A 5o96A-5e7pA:
undetectable
5o96B-5e7pA:
undetectable		 5o96A-5e7pA:
16.37
5o96B-5e7pA:
16.37
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.
5eod COAGULATION FACTOR
XI

(Homo sapiens) 		PF00024
(PAN_1)
PF00089
(Trypsin) 		5 LEU A 409
GLY A 558
GLY A 399
LEU A 465
ALA A 464
 None
 0.97A 5o96A-5eodA:
undetectable
5o96B-5eodA:
undetectable		 5o96A-5eodA:
17.11
5o96B-5eodA:
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		5 LEU A 255
ILE A  61
GLY A  62
GLY A  67
LEU A 431
 None
FAD  A 500 (-4.8A)
FAD  A 500 (-3.1A)
None
None
 1.01A 5o96A-5fjnA:
undetectable
5o96B-5fjnA:
undetectable		 5o96A-5fjnA:
18.36
5o96B-5fjnA:
18.36
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.
5h5y NON-LEE ENCODED
EFFECTOR PROTEIN
NLEB

(Escherichia
coli) 		no annotation 5 LEU A  43
ILE A 196
GLY A 194
GLY A 213
ALA A 189
 None
 0.94A 5o96A-5h5yA:
2.3
5o96B-5h5yA:
undetectable		 5o96A-5h5yA:
undetectable
5o96B-5h5yA:
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 LEU A 757
ILE A 746
GLY A 747
GLY A 793
LEU A 760
 None
 0.94A 5o96A-5h64A:
undetectable
5o96B-5h64A:
undetectable		 5o96A-5h64A:
6.77
5o96B-5h64A:
6.77
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.
5kxj L-ASPARTATE OXIDASE

(Salmonella
enterica) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 202
ILE A  14
GLY A  15
GLY A  20
LEU A 370
 None
 0.86A 5o96A-5kxjA:
undetectable
5o96B-5kxjA:
undetectable		 5o96A-5kxjA:
19.18
5o96B-5kxjA:
19.18
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.
5l3z POLYKETIDE
KETOREDUCTASE SIMC7

(Streptomyces
antibioticus) 		PF13460
(NAD_binding_10) 		5 ARG A  32
LEU A  93
ILE A  12
GLY A  13
GLY A   7
 NAP  A 500 (-3.5A)
NAP  A 500 (-4.6A)
NAP  A 500 (-3.8A)
None
NAP  A 500 (-3.5A)
 0.93A 5o96A-5l3zA:
2.6
5o96B-5l3zA:
3.4		 5o96A-5l3zA:
22.86
5o96B-5l3zA:
22.86
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 ARG A 368
LEU A 391
ILE A 415
GLY A 417
LEU A 396
 None
 0.82A 5o96A-5mqpA:
undetectable
5o96B-5mqpA:
undetectable		 5o96A-5mqpA:
17.29
5o96B-5mqpA:
17.29
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.
5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1

(Homo sapiens) 		no annotation 5 LEU A 290
ILE A 309
GLY A 310
LEU A 336
LEU A 351
 SAM  A 501 (-4.2A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.9A)
SAM  A 501 (-4.0A)
 0.75A 5o96A-5nfjA:
6.5
5o96B-5nfjA:
9.4		 5o96A-5nfjA:
undetectable
5o96B-5nfjA:
undetectable
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 ILE A 195
GLY A 196
GLY A 200
LEU A 219
LEU A 224
ALA A 229
 None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.9A)
SAM  A 501 (-4.5A)
SAM  A 501 (-3.3A)
 0.28A 5o96A-5o96A:
41.3
5o96B-5o96A:
36.9		 5o96A-5o96A:
100.00
5o96B-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 6 LEU A 173
ILE A 195
GLY A 196
GLY A 200
LEU A 219
ALA A 229
 SAM  A 501 (-4.2A)
None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.9A)
SAM  A 501 (-3.3A)
 0.94A 5o96A-5o96A:
41.3
5o96B-5o96A:
36.9		 5o96A-5o96A:
100.00
5o96B-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 6 LEU A 173
PRO A 175
ILE A 195
GLY A 196
GLY A 200
LEU A 219
 SAM  A 501 (-4.2A)
SAM  A 501 (-3.4A)
None
SAM  A 501 (-4.1A)
SAM  A 501 (-2.9A)
SAM  A 501 (-4.9A)
 1.29A 5o96A-5o96A:
41.3
5o96B-5o96A:
36.9		 5o96A-5o96A:
100.00
5o96B-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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 LEU T1153
ILE T1149
GLY T1215
LEU T1166
ALA T1167
 None
 0.95A 5o96A-5ojsT:
undetectable
5o96B-5ojsT:
undetectable		 5o96A-5ojsT:
5.15
5o96B-5ojsT:
5.15
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae) 		PF16679
(CDT1_C) 		5 ILE 8 270
GLY 8 274
GLY 8 276
LEU 8 283
ALA 8 279
 None
 1.02A 5o96A-5udb8:
undetectable
5o96B-5udb8:
undetectable		 5o96A-5udb8:
16.67
5o96B-5udb8:
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.
5wyr TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  92
PRO A  94
GLY A 118
GLY A 122
LEU A 143
 SFG  A 400 (-4.6A)
SFG  A 400 (-3.7A)
SFG  A 400 (-3.4A)
SFG  A 400 (-3.6A)
SFG  A 400 (-4.2A)
 0.75A 5o96A-5wyrA:
6.9
5o96B-5wyrA:
2.6		 5o96A-5wyrA:
undetectable
5o96B-5wyrA:
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.
5zvs VP2

(Aquareovirus C) 		no annotation 5 LEU 21156
ILE 21159
GLY 21158
GLY 2 998
LEU 21139
 None
 1.02A 5o96A-5zvs2:
undetectable
5o96B-5zvs2:
undetectable		 5o96A-5zvs2:
undetectable
5o96B-5zvs2:
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 LEU A 152
GLY A 150
GLY A  73
LEU A  89
ALA A  90
 None
 0.99A 5o96A-6bvgA:
undetectable
5o96B-6bvgA:
undetectable		 5o96A-6bvgA:
undetectable
5o96B-6bvgA:
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 6 LEU A  91
GLY A  89
GLY A  29
LEU A  17
LEU A  20
ALA A  94
 None
 1.27A 5o96A-6c0dA:
undetectable
5o96B-6c0dA:
undetectable		 5o96A-6c0dA:
undetectable
5o96B-6c0dA:
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A  30
ILE A   5
GLY A 149
LEU A 136
ALA A 134
 None
 0.62A 5o96A-6c7sA:
undetectable
5o96B-6c7sA:
2.0		 5o96A-6c7sA:
undetectable
5o96B-6c7sA:
undetectable