SIMILAR PATTERNS OF AMINO ACIDS FOR 1V2X_A_SAMA400_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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 PHE A 325
GLY A 326
ILE A 120
LEU A 247
ALA A 119
 None
 1.00A 1v2xA-1eljA:
undetectable		 1v2xA-1eljA:
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 GLY A 196
GLY A 201
ILE A 216
MET A 218
LEU A 225
VAL A 227
ALA A 230
 None
 0.78A 1v2xA-1gz0A:
19.0		 1v2xA-1gz0A:
25.37
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 GLY A 199
ILE A 216
MET A 218
SER A 224
LEU A 225
 None
 1.01A 1v2xA-1gz0A:
19.0		 1v2xA-1gz0A:
25.37
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.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 GLY A 199
ILE A 216
MET A 218
SER A 224
LEU A 225
VAL A 227
ALA A 230
 None
 0.70A 1v2xA-1gz0A:
19.0		 1v2xA-1gz0A:
25.37
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.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 GLY A 215
MET A 237
SER A 243
LEU A 244
VAL A 246
 None
 0.72A 1v2xA-1ipaA:
18.8		 1v2xA-1ipaA:
26.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 ILE A 235
MET A 237
SER A 243
LEU A 244
VAL A 246
 None
 0.45A 1v2xA-1ipaA:
18.8		 1v2xA-1ipaA:
26.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		5 PHE A  99
GLY A 100
GLY A 105
ILE A 122
MET A 124
 None
 0.63A 1v2xA-1j85A:
16.2		 1v2xA-1j85A:
27.88
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.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		6 GLY A 105
GLY A 220
ILE A  88
LEU A  33
VAL A  47
ALA A 217
 GLC  A 253 ( 3.8A)
GLC  A 253 (-3.1A)
None
None
None
None
 1.42A 1v2xA-1n3pA:
undetectable		 1v2xA-1n3pA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qmh RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Escherichia
coli) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 LEU A 155
GLY A 123
GLY A 166
ILE A 136
VAL A 121
 None
 1.04A 1v2xA-1qmhA:
2.3		 1v2xA-1qmhA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uj4 RIBOSE 5-PHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 132
GLY A 134
LYS A 126
ILE A  91
LEU A  97
 None
 0.99A 1v2xA-1uj4A:
undetectable		 1v2xA-1uj4A:
24.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		12 LEU A 101
PHE A 121
GLY A 122
TRP A 126
GLY A 127
LYS A 141
ILE A 142
MET A 144
SER A 150
LEU A 151
VAL A 153
ALA A 156
 SAM  A 400 ( 4.1A)
SAM  A 400 (-4.6A)
SAM  A 400 (-3.2A)
None
SAM  A 400 (-3.8A)
None
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 ( 3.7A)
SAM  A 400 (-4.0A)
SAM  A 400 (-3.9A)
SAM  A 400 (-3.5A)
 0.00A 1v2xA-1v2xA:
37.7		 1v2xA-1v2xA:
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 PHE A 203
GLY A 204
GLY A 208
LEU A 232
ALA A 237
 None
 0.61A 1v2xA-1vhkA:
12.7		 1v2xA-1vhkA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		7 GLY A 232
GLY A 237
ILE A 252
MET A 254
SER A 260
LEU A 261
ALA A 266
 SAM  A 301 (-3.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 3.7A)
SAM  A 301 (-4.1A)
SAM  A 301 (-3.4A)
 0.73A 1v2xA-1x7pA:
19.2		 1v2xA-1x7pA:
25.34
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.
1y7p HYPOTHETICAL PROTEIN
AF1403

(Archaeoglobus
fulgidus) 		PF01842
(ACT) 		6 LEU A 165
GLY A 169
ILE A  89
SER A 139
LEU A 141
ALA A 144
 None
 1.21A 1v2xA-1y7pA:
3.0		 1v2xA-1y7pA:
23.33
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.
1yt5 INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Thermotoga
maritima) 		PF01513
(NAD_kinase) 		5 GLY A  52
GLY A  50
ILE A  45
LEU A   6
ALA A  57
 SO4  A 317 (-4.6A)
SO4  A 317 (-3.8A)
None
None
None
 1.02A 1v2xA-1yt5A:
undetectable		 1v2xA-1yt5A:
24.72
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 LEU A 112
PHE A 106
GLY A 107
GLY A 108
ALA A 122
 None
 0.97A 1v2xA-1yw6A:
undetectable		 1v2xA-1yw6A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 309
PHE A 350
GLY A 349
GLY A 348
SER A 294
 None
 1.03A 1v2xA-1z68A:
undetectable		 1v2xA-1z68A:
13.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 GLY A 126
GLY A 131
ILE A 163
LEU A 155
VAL A 157
ALA A 160
 GOL  A 529 (-4.0A)
GOL  A 530 (-3.7A)
None
None
GOL  A 529 (-3.7A)
GOL  A 529 (-3.6A)
 1.15A 1v2xA-1zjrA:
26.8		 1v2xA-1zjrA:
47.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 GLY A 126
GLY A 131
MET A 148
SER A 154
LEU A 155
VAL A 157
ALA A 160
 GOL  A 529 (-4.0A)
GOL  A 530 (-3.7A)
None
GOL  A 529 (-3.5A)
None
GOL  A 529 (-3.7A)
GOL  A 529 (-3.6A)
 0.69A 1v2xA-1zjrA:
26.8		 1v2xA-1zjrA:
47.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 GLY A 126
ILE A 146
MET A 148
SER A 154
LEU A 155
VAL A 157
ALA A 160
 GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.5A)
None
GOL  A 529 (-3.7A)
GOL  A 529 (-3.6A)
 0.43A 1v2xA-1zjrA:
26.8		 1v2xA-1zjrA:
47.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 LEU A 105
GLY A 126
GLY A 131
MET A 148
SER A 154
LEU A 155
VAL A 157
 GOL  A 530 ( 4.5A)
GOL  A 529 (-4.0A)
GOL  A 530 (-3.7A)
None
GOL  A 529 (-3.5A)
None
GOL  A 529 (-3.7A)
 1.09A 1v2xA-1zjrA:
26.8		 1v2xA-1zjrA:
47.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 LEU A 105
GLY A 126
ILE A 146
MET A 148
SER A 154
LEU A 155
VAL A 157
 GOL  A 530 ( 4.5A)
GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.5A)
None
GOL  A 529 (-3.7A)
 0.80A 1v2xA-1zjrA:
26.8		 1v2xA-1zjrA:
47.32
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.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		5 LEU A  84
GLY A  31
GLY A  86
SER A 300
LEU A 298
 None
 1.03A 1v2xA-2d1cA:
undetectable		 1v2xA-2d1cA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 PHE A 972
GLY A 534
GLY A 535
ILE A 759
ALA A 955
 None
 1.02A 1v2xA-2eyqA:
undetectable		 1v2xA-2eyqA:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6s CELL FILAMENTATION
PROTEIN, PUTATIVE

(Helicobacter
pylori) 		PF02661
(Fic) 		6 LEU A  38
GLY A 103
GLY A 101
ILE A 168
SER A   7
LEU A   8
 None
PO4  A5001 (-3.6A)
PO4  A5001 (-3.7A)
None
None
None
 1.46A 1v2xA-2f6sA:
undetectable		 1v2xA-2f6sA:
17.97
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  63
GLY A 345
GLY A  61
MET A  85
ALA A 350
 None
 0.94A 1v2xA-2gp6A:
undetectable		 1v2xA-2gp6A:
20.97
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.
2h4t CARNITINE
O-PALMITOYLTRANSFERA
SE II, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 LEU A 441
PHE A 610
GLY A 611
VAL A 625
ALA A 633
 None
 1.03A 1v2xA-2h4tA:
undetectable		 1v2xA-2h4tA:
17.65
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		6 GLY A 129
GLY A 134
ILE A 149
SER A 157
LEU A 158
VAL A 160
 SAH  A 401 (-3.1A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
 0.41A 1v2xA-2ha8A:
19.9		 1v2xA-2ha8A:
26.84
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.
2hqm GLUTATHIONE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 165
GLY A  32
GLY A  30
SER A 331
ALA A 345
 None
FAD  A1001 (-3.2A)
FAD  A1001 (-3.3A)
None
FAD  A1001 ( 4.1A)
 1.02A 1v2xA-2hqmA:
2.5		 1v2xA-2hqmA:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		7 LEU A 181
GLY A 203
GLY A 208
ILE A 223
LEU A 237
VAL A 239
ALA A 242
 None
 0.57A 1v2xA-2i6dA:
17.2		 1v2xA-2i6dA:
24.23
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.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		7 LEU A 181
GLY A 208
ILE A 223
SER A 236
LEU A 237
VAL A 239
ALA A 242
 None
 0.86A 1v2xA-2i6dA:
17.2		 1v2xA-2i6dA:
24.23
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.
2ow4 CANAVALIA MARITIMA
LECTIN

(Canavalia rosea) 		PF00139
(Lectin_legB) 		6 GLY A 227
GLY A  98
ILE A 210
LEU A 156
VAL A 170
ALA A  95
 MMA  A 242 (-3.5A)
MMA  A 242 ( 3.1A)
None
None
None
None
 1.44A 1v2xA-2ow4A:
undetectable		 1v2xA-2ow4A:
19.51
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		6 PHE A 220
GLY A 216
GLY A 215
ILE A 192
VAL A 184
ALA A 188
 None
NDP  A 600 (-3.8A)
NDP  A 600 (-3.2A)
None
None
None
 1.43A 1v2xA-2vn8A:
2.4		 1v2xA-2vn8A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 LEU A 243
GLY A 246
ILE A 292
VAL A 251
ALA A 254
 None
SO4  A1697 (-3.2A)
None
None
None
 1.04A 1v2xA-2vxoA:
2.2		 1v2xA-2vxoA:
15.17
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.
2ywy NEW ANTIGEN RECEPTOR
VARIABLE DOMAIN

(Orectolobus
maculatus) 		PF07686
(V-set) 		5 GLY A 105
GLY A 103
LYS A  48
ILE A  49
LEU A  68
 GLY  A 105 ( 0.0A)
GLY  A 103 ( 0.0A)
LYS  A  48 ( 0.0A)
ILE  A  49 ( 0.7A)
LEU  A  68 ( 0.6A)
 0.93A 1v2xA-2ywyA:
undetectable		 1v2xA-2ywyA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dcm UNCHARACTERIZED
PROTEIN TM_1570

(Thermotoga
maritima) 		PF09936
(Methyltrn_RNA_4) 		6 GLY X 141
GLY X 145
ILE X 161
LEU X 170
VAL X 172
ALA X 175
 SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.3A)
 0.41A 1v2xA-3dcmX:
13.4		 1v2xA-3dcmX:
25.00
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.
3e5y TRMH FAMILY RNA
METHYLTRANSFERASE

(Burkholderia
pseudomallei) 		PF00588
(SpoU_methylase) 		6 PHE A 101
GLY A 102
GLY A 107
MET A 126
SER A 132
LEU A 133
 None
 0.86A 1v2xA-3e5yA:
16.2		 1v2xA-3e5yA:
26.00
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.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 GLY A 223
GLY A 222
ILE A 238
MET A 240
SER A 246
LEU A 247
 None
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 (-4.4A)
 1.26A 1v2xA-3gyqA:
17.5		 1v2xA-3gyqA:
23.83
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.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 PHE A 217
GLY A 218
GLY A 223
ILE A 238
LEU A 247
 None
SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-4.4A)
 0.67A 1v2xA-3gyqA:
17.5		 1v2xA-3gyqA:
23.83
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.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		7 PHE A 217
GLY A 218
ILE A 238
MET A 240
SER A 246
LEU A 247
VAL A 249
 None
SAM  A 270 (-2.9A)
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 (-4.4A)
SAM  A 270 ( 4.2A)
 0.77A 1v2xA-3gyqA:
17.5		 1v2xA-3gyqA:
23.83
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		5 PHE A 311
GLY A 310
GLY A 289
ILE A 267
SER A 317
 None
 0.94A 1v2xA-3hd6A:
undetectable		 1v2xA-3hd6A:
18.38
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		5 PHE A 311
GLY A 310
GLY A 289
ILE A 267
VAL A 312
 None
None
None
None
BOG  A 501 ( 4.4A)
 0.94A 1v2xA-3hd6A:
undetectable		 1v2xA-3hd6A:
18.38
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 5 PHE A 251
ILE A 160
LEU A 190
VAL A 192
ALA A 189
 None
 1.00A 1v2xA-3hj4A:
undetectable		 1v2xA-3hj4A:
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.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 PHE A 493
GLY A 494
ILE A 484
SER A 362
LEU A 365
 None
 0.97A 1v2xA-3hztA:
undetectable		 1v2xA-3hztA:
16.88
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.
3ic6 PUTATIVE METHYLASE
FAMILY PROTEIN

(Neisseria
gonorrhoeae) 		PF00588
(SpoU_methylase) 		6 PHE A 144
GLY A 145
GLY A 150
ILE A 165
LEU A 174
ALA A 179
 None
 0.55A 1v2xA-3ic6A:
14.8		 1v2xA-3ic6A:
24.36
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.
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		7 PHE A 110
GLY A 111
GLY A 116
ILE A 131
SER A 139
LEU A 140
ALA A 145
 None
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
None
EDO  A 242 ( 3.7A)
 0.75A 1v2xA-3ilkA:
16.8		 1v2xA-3ilkA:
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 285
GLY A 220
GLY A 219
ILE A 230
ALA A 226
 None
 1.03A 1v2xA-3ip1A:
3.1		 1v2xA-3ip1A:
20.30
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 5 PHE C 343
GLY C 408
ILE C 167
VAL C 350
ALA C 277
 None
 0.86A 1v2xA-3j9uC:
undetectable		 1v2xA-3j9uC:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		7 GLY A 123
GLY A 128
ILE A 143
SER A 151
LEU A 152
VAL A 154
ALA A 157
 None
 0.96A 1v2xA-3ktyA:
17.7		 1v2xA-3ktyA:
25.00
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.
3l8u PUTATIVE RRNA
METHYLASE

(Streptococcus
mutans) 		PF00588
(SpoU_methylase) 		6 PHE A 116
GLY A 117
GLY A 122
ILE A 138
SER A 147
LEU A 148
 None
 0.76A 1v2xA-3l8uA:
16.0		 1v2xA-3l8uA:
28.50
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 221
ILE A 562
LEU A 311
VAL A 313
ALA A 310
 None
 1.04A 1v2xA-3n05A:
undetectable		 1v2xA-3n05A:
18.05
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.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		7 PHE A 104
GLY A 105
GLY A 110
ILE A 127
MET A 129
SER A 135
ALA A 141
 SAH  A 201 (-4.9A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.8A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 4.0A)
 0.53A 1v2xA-3n4kA:
15.7		 1v2xA-3n4kA:
28.50
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.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 GLY A 223
ILE A 238
MET A 240
SER A 246
LEU A 247
 SAM  A 770 (-3.4A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-3.9A)
SAM  A 770 (-4.5A)
 0.88A 1v2xA-3nk7A:
18.8		 1v2xA-3nk7A:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		8 PHE A 217
GLY A 218
GLY A 223
ILE A 238
MET A 240
SER A 246
LEU A 247
VAL A 249
 None
SAM  A 770 (-3.0A)
SAM  A 770 (-3.4A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-3.9A)
SAM  A 770 (-4.5A)
SAM  A 770 (-3.7A)
 0.60A 1v2xA-3nk7A:
18.8		 1v2xA-3nk7A:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 GLY A  49
GLY A  45
LEU A 235
VAL A  16
ALA A  19
 None
 1.03A 1v2xA-3oc6A:
undetectable		 1v2xA-3oc6A:
23.11
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		5 GLY A 143
ILE A 118
MET A 156
LEU A 102
VAL A 140
 None
 0.91A 1v2xA-3or2A:
undetectable		 1v2xA-3or2A:
19.72
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		5 LEU A  61
GLY A 170
GLY A 172
ILE A  24
VAL A 168
 None
 0.98A 1v2xA-3tb4A:
undetectable		 1v2xA-3tb4A:
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 LEU A 506
GLY A 590
GLY A 589
VAL A 594
ALA A 597
 None
 0.97A 1v2xA-3ut2A:
undetectable		 1v2xA-3ut2A:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voo FATTY ACID
ALPHA-HYDROXYLASE

(Sphingomonas
paucimobilis) 		PF00067
(p450) 		5 GLY A  82
GLY A  81
LYS A 194
ILE A 197
SER A 228
 None
 0.99A 1v2xA-3vooA:
undetectable		 1v2xA-3vooA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 259
PHE A 227
GLY A 213
LEU A 202
ALA A 216
 None
 1.01A 1v2xA-3vrbA:
3.4		 1v2xA-3vrbA:
14.60
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.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		5 GLY A  83
GLY A  82
ILE A  65
SER A  58
ALA A  89
 None
 1.03A 1v2xA-3wwpA:
2.7		 1v2xA-3wwpA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A  27
GLY A 180
ILE A 153
LEU A 175
ALA A 114
 None
 0.94A 1v2xA-3wz2A:
undetectable		 1v2xA-3wz2A:
21.20
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		6 PHE A 110
GLY A 111
GLY A 116
ILE A 131
LEU A 140
ALA A 145
 SAH  A1157 (-4.6A)
SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 (-3.6A)
SAH  A1157 (-3.8A)
SAH  A1157 ( 3.7A)
 0.40A 1v2xA-4cngA:
16.9		 1v2xA-4cngA:
21.29
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.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		6 PHE A 110
GLY A 111
GLY A 116
ILE A 131
SER A  79
ALA A 145
 SAH  A1157 (-4.6A)
SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 (-3.6A)
SAH  A1157 (-4.5A)
SAH  A1157 ( 3.7A)
 1.26A 1v2xA-4cngA:
16.9		 1v2xA-4cngA:
21.29
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.
4ev0 TRANSCRIPTION
REGULATOR, CRP
FAMILY

(Thermus
thermophilus) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 PHE A   7
GLY A   9
LEU A  17
VAL A  15
ALA A  18
 None
 0.94A 1v2xA-4ev0A:
undetectable		 1v2xA-4ev0A:
25.23
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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 LYS A 831
ILE A 832
SER A 754
LEU A 758
ALA A 759
 GOL  A1003 (-2.7A)
None
GOL  A1003 (-4.5A)
None
None
 0.86A 1v2xA-4f7zA:
undetectable		 1v2xA-4f7zA:
11.88
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.
4fay MICROCOMPARTMENTS
PROTEIN

(Lactobacillus
reuteri) 		PF00936
(BMC) 		5 GLY A  88
GLY A  89
ILE A 164
MET A 168
LEU A 130
 None
GOL  A 303 (-3.6A)
None
None
None
 0.99A 1v2xA-4fayA:
undetectable		 1v2xA-4fayA:
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.
4fzw 1,2-EPOXYPHENYLACETY
L-COA ISOMERASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 LEU C  18
GLY C 108
GLY C  59
LEU C 117
ALA C 118
 None
 0.97A 1v2xA-4fzwC:
undetectable		 1v2xA-4fzwC:
21.20
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.
4hts SEC-INDEPENDENT
PROTEIN TRANSLOCASE
PROTEIN TATC

(Aquifex
aeolicus) 		PF00902
(TatC) 		5 PHE A  29
GLY A  26
GLY A  24
ILE A  67
ALA A  32
 None
 0.98A 1v2xA-4htsA:
undetectable		 1v2xA-4htsA:
22.31
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.
4i99 CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 GLY A  27
ILE A1140
SER A1156
LEU A1157
ALA A1137
 None
 0.99A 1v2xA-4i99A:
undetectable		 1v2xA-4i99A:
18.73
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.
4i99 CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 PHE A  28
GLY A  27
ILE A1140
SER A1156
LEU A1157
 None
 0.85A 1v2xA-4i99A:
undetectable		 1v2xA-4i99A:
18.73
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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		6 PHE A  99
GLY A 100
GLY A 105
ILE A 122
MET A 124
ALA A 136
 None
 0.55A 1v2xA-4kdzA:
16.6		 1v2xA-4kdzA:
27.70
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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		6 PHE A  99
GLY A 100
GLY A 105
ILE A 122
SER A 130
ALA A 136
 None
 0.83A 1v2xA-4kdzA:
16.6		 1v2xA-4kdzA:
27.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		5 GLY A 104
ILE A 125
MET A 127
SER A 133
LEU A 134
 SAH  A 201 (-3.1A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 3.8A)
SAH  A 201 (-4.2A)
 0.99A 1v2xA-4pzkA:
16.6		 1v2xA-4pzkA:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		7 PHE A 103
GLY A 104
GLY A 109
ILE A 125
MET A 127
SER A 133
LEU A 134
 SAH  A 201 (-4.9A)
SAH  A 201 (-3.1A)
SAH  A 201 (-3.3A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 3.8A)
SAH  A 201 (-4.2A)
 0.49A 1v2xA-4pzkA:
16.6		 1v2xA-4pzkA:
31.53
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.
4r2v CYSTEINE SYNTHETASE

(Helicobacter
pylori) 		PF00291
(PALP) 		5 GLY A  75
GLY A  78
ILE A 128
VAL A  96
ALA A 127
 None
 1.02A 1v2xA-4r2vA:
undetectable		 1v2xA-4r2vA:
20.69
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.
4ry0 PROBABLE RIBOSE ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF13407
(Peripla_BP_4) 		6 GLY A  48
ILE A 128
MET A 293
LEU A 271
VAL A 273
ALA A 272
 None
 1.14A 1v2xA-4ry0A:
4.4		 1v2xA-4ry0A:
22.15
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 5 PHE B 139
GLY B 140
ILE B  88
VAL B  81
ALA B  87
 None
 0.98A 1v2xA-4w5uB:
undetectable		 1v2xA-4w5uB:
20.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		6 GLY A 208
ILE A 228
MET A 230
SER A 236
LEU A 237
VAL A 239
 ADN  A 301 (-3.1A)
ADN  A 301 (-3.8A)
ADN  A 301 (-3.5A)
ADN  A 301 (-4.5A)
ADN  A 301 (-4.9A)
ADN  A 301 ( 4.2A)
 0.44A 1v2xA-4x3mA:
18.6		 1v2xA-4x3mA:
30.30
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.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		7 PHE A 113
GLY A 114
GLY A 119
ILE A 134
SER A 142
LEU A 143
ALA A 148
 SAH  A 301 (-4.9A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
 0.54A 1v2xA-4xboA:
17.6		 1v2xA-4xboA:
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.
4xhp PARM HYBRID FUSION
PROTEIN

(Bacillus
thuringiensis) 		no annotation 5 GLY A 152
GLY A 153
SER A 205
LEU A 207
ALA A 410
 None
 0.90A 1v2xA-4xhpA:
undetectable		 1v2xA-4xhpA:
12.15
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 PHE A 126
GLY A 122
GLY A 118
ILE A  61
ALA A  74
 None
 1.00A 1v2xA-4yaiA:
2.7		 1v2xA-4yaiA:
21.31
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.
5cgl ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE NMFIC

(Neisseria
meningitidis) 		PF02661
(Fic) 		6 LEU A  49
GLY A 114
GLY A 112
ILE A 179
SER A  18
LEU A  19
 None
PEG  A 201 (-3.4A)
PEG  A 201 (-3.1A)
None
None
None
 1.40A 1v2xA-5cglA:
undetectable		 1v2xA-5cglA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 GLY B 106
LYS B 119
ILE B 120
MET B 122
LEU B 129
 MTA  B 401 (-3.2A)
None
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 (-4.3A)
 0.77A 1v2xA-5co4B:
17.7		 1v2xA-5co4B:
33.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 9 PHE B 100
GLY B 101
GLY B 106
LYS B 119
ILE B 120
MET B 122
SER B 128
LEU B 129
ALA B 134
 MTA  B 401 (-4.9A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
None
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.56A 1v2xA-5co4B:
17.7		 1v2xA-5co4B:
33.67
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.
5dn8 GTPASE DER

(Coxiella
burnetii) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 GLY A  58
GLY A  59
ILE A 249
VAL A  76
ALA A  79
 None
 0.79A 1v2xA-5dn8A:
2.1		 1v2xA-5dn8A:
20.62
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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		6 GLY A 106
GLY A 221
ILE A  89
LEU A  34
VAL A  48
ALA A 218
 MDM  A 304 (-3.4A)
MDM  A 304 (-3.2A)
None
None
None
None
 1.48A 1v2xA-5eyyA:
undetectable		 1v2xA-5eyyA:
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.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		7 PHE A 114
GLY A 115
GLY A 120
ILE A 135
SER A 143
LEU A 144
ALA A 149
 None
 0.71A 1v2xA-5gmbA:
18.1		 1v2xA-5gmbA:
25.00
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.
5gra TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Zymomonas
mobilis) 		PF00588
(SpoU_methylase) 		5 PHE A 113
GLY A 114
GLY A 119
LEU A 143
ALA A 148
 None
 0.63A 1v2xA-5graA:
17.0		 1v2xA-5graA:
25.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gui CHAPERONE PROTEIN
CLPC1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 GLY A 132
GLY A 134
ILE A 106
SER A 198
LEU A 201
 None
None
None
PO4  A 301 (-2.5A)
None
 1.01A 1v2xA-5guiA:
undetectable		 1v2xA-5guiA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hlz INHIBIN BETA A CHAIN

(Homo sapiens) 		PF00688
(TGFb_propeptide) 		5 GLY A 258
LYS A 134
ILE A 242
SER A 253
LEU A 254
 None
 1.01A 1v2xA-5hlzA:
undetectable		 1v2xA-5hlzA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		7 LEU A 214
GLY A 235
GLY A 240
ILE A 255
SER A 263
LEU A 264
ALA A 269
 SAM  A 304 (-4.3A)
SAM  A 304 (-3.2A)
SAM  A 304 (-3.4A)
SAM  A 304 (-3.9A)
SAM  A 304 (-3.1A)
SAM  A 304 (-3.8A)
SAM  A 304 (-3.6A)
 0.53A 1v2xA-5l0zA:
19.2		 1v2xA-5l0zA:
23.30
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.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT

(Homo sapiens) 		no annotation 5 GLY A 919
GLY A 923
ILE A 959
VAL A 945
ALA A 947
 None
 1.04A 1v2xA-5nprA:
undetectable		 1v2xA-5nprA:
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		5 PHE A  65
GLY A  62
GLY A  60
LEU A 101
ALA A  98
 None
 1.04A 1v2xA-5xhqA:
undetectable		 1v2xA-5xhqA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xns CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 PHE A  28
GLY A  27
ILE A1140
SER A1156
LEU A1157
 None
 0.91A 1v2xA-5xnsA:
undetectable		 1v2xA-5xnsA:
17.73
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.
6f45 -

(-) 		no annotation 5 GLY D 228
GLY D 129
ILE D 112
SER D  85
LEU D  92
 None
 1.03A 1v2xA-6f45D:
undetectable		 1v2xA-6f45D:
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 5 GLY A1170
GLY A1137
ILE A1212
MET A1215
SER A1184
 None
 0.96A 1v2xA-6f9nA:
undetectable		 1v2xA-6f9nA:
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 5 GLY A 318
GLY A 200
ILE A  60
LEU A 336
ALA A 321
 SO4  A 403 (-3.5A)
None
None
None
None
 1.01A 1v2xA-6fm7A:
undetectable		 1v2xA-6fm7A:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLY F 260
ILE F 343
LEU F 295
VAL F 297
ALA F 296
 None
 0.98A 1v2xA-6g2jF:
undetectable		 1v2xA-6g2jF:
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.
6h25


(;
) 		no annotation
no annotation 		5 PHE A 198
GLY A 219
GLY A 238
ILE B 196
LEU B 199
 None
 1.04A 1v2xA-6h25A:
undetectable		 1v2xA-6h25A:
undetectable