SIMILAR PATTERNS OF AMINO ACIDS FOR 3VN2_A_TLSA501_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0n RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mus musculus) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 245
SER A 259
HIS A 173
TYR A 177
LEU A 132
 None
None
CO  A1353 (-3.2A)
None
None
 1.25A 3vn2A-1h0nA:
0.0		 3vn2A-1h0nA:
21.96
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		5 SER A 321
ILE A 294
LEU A 127
LEU A 135
PHE A 133
 None
 1.37A 3vn2A-1j3bA:
undetectable		 3vn2A-1j3bA:
20.60
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.
1smq RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 1

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 251
SER A 265
HIS A 179
TYR A 183
LEU A 138
 None
 1.23A 3vn2A-1smqA:
0.0		 3vn2A-1smqA:
22.03
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.
1uht EXPRESSED PROTEIN

(Arabidopsis
thaliana) 		PF00498
(FHA) 		5 ILE A  35
TYR A  29
LEU A  13
LEU A 108
PHE A  17
 None
 1.23A 3vn2A-1uhtA:
undetectable		 3vn2A-1uhtA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		5 PHE A 298
CYH A 299
ILE A 306
LEU A 309
LEU A 276
 None
 1.26A 3vn2A-1v72A:
0.0		 3vn2A-1v72A:
22.97
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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 ILE B 165
LEU B 169
LEU B  19
HIS B 275
TYR B 301
 None
 1.49A 3vn2A-1wdwB:
0.0		 3vn2A-1wdwB:
21.96
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.
1yxa SERINE (OR CYSTEINE)
PROTEINASE
INHIBITOR, CLADE A,
MEMBER 3N

(Mus musculus) 		PF00079
(Serpin) 		5 PHE A 396
TYR A  59
LEU A 289
LEU A 273
MET A 399
 None
 1.44A 3vn2A-1yxaA:
undetectable		 3vn2A-1yxaA:
23.17
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.
1zb1 BRO1 PROTEIN

(Saccharomyces
cerevisiae) 		PF03097
(BRO1) 		5 ILE A 366
TYR A  25
LEU A  22
LEU A  16
MET A  90
 None
 1.45A 3vn2A-1zb1A:
0.0		 3vn2A-1zb1A:
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.
2cmh SPERMIDINE SYNTHASE

(Helicobacter
pylori) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A 228
TYR A 237
LEU A 231
LEU A  73
HIS A 242
 None
 1.46A 3vn2A-2cmhA:
undetectable		 3vn2A-2cmhA:
22.30
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.
2cmh SPERMIDINE SYNTHASE

(Helicobacter
pylori) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A 228
TYR A 237
LEU A 231
LEU A  90
HIS A 242
 None
 1.45A 3vn2A-2cmhA:
undetectable		 3vn2A-2cmhA:
22.30
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.
2e0i 432AA LONG
HYPOTHETICAL
DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Sulfurisphaera
tokodaii) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 PHE A 249
HIS A 259
LEU A 128
PHE A 135
TYR A 265
 None
 1.35A 3vn2A-2e0iA:
undetectable		 3vn2A-2e0iA:
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.
2ess ACYL-ACP
THIOESTERASE

(Bacteroides
thetaiotaomicron) 		PF01643
(Acyl-ACP_TE) 		5 SER A 242
ILE A 184
LEU A 185
LEU A  68
TYR A 205
 None
 1.31A 3vn2A-2essA:
undetectable		 3vn2A-2essA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		5 PHE A 180
ILE A 135
LEU A 111
LEU A 236
PHE A 188
 None
 1.18A 3vn2A-2frxA:
undetectable		 3vn2A-2frxA:
21.04
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.
2kzv UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		PF12872
(OST-HTH) 		5 SER A  42
HIS A   3
LEU A  36
LEU A   9
MET A  12
 None
 1.21A 3vn2A-2kzvA:
undetectable		 3vn2A-2kzvA:
14.96
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.
2o1z RIBONUCLEOTIDE
REDUCTASE SUBUNIT R2

(Plasmodium
vivax) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 203
SER A 217
HIS A 132
TYR A 136
LEU A  91
 None
 1.29A 3vn2A-2o1zA:
undetectable		 3vn2A-2o1zA:
22.36
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.
2p1i RIBONUCLEOTIDE
REDUCTASE, SMALL
CHAIN

(Plasmodium
yoelii) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 204
SER A 218
HIS A 133
TYR A 137
LEU A  92
 None
 1.29A 3vn2A-2p1iA:
undetectable		 3vn2A-2p1iA:
23.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 PHE A 273
CYH A 276
SER A 280
ILE A 317
LEU A 321
LEU A 344
MET A 355
HIS A 440
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 ( 4.8A)
735  A 469 ( 4.3A)
735  A 469 ( 4.2A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.6A)
 0.51A 3vn2A-2p54A:
38.6		 3vn2A-2p54A:
61.94
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.
2p5r GLUTATHIONE
PEROXIDASE 5

(Populus
trichocarpa x
Populus
deltoides) 		PF00255
(GSHPx) 		5 PHE A  99
ILE A 105
TYR A 116
LEU A 115
LEU A  35
 None
 1.12A 3vn2A-2p5rA:
undetectable		 3vn2A-2p5rA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 PHE A 327
HIS A 264
LEU A 383
LEU A 255
MET A 278
 None
SCY  A 129 ( 3.7A)
None
None
None
 1.36A 3vn2A-2p8uA:
undetectable		 3vn2A-2p8uA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 SER A  91
LEU A 458
PHE A 406
HIS A 410
TYR A 108
 None
 1.37A 3vn2A-2pyxA:
undetectable		 3vn2A-2pyxA:
22.55
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.
2uw2 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE M2
SUBUNIT

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 244
SER A 258
HIS A 172
TYR A 176
LEU A 131
 None
 1.23A 3vn2A-2uw2A:
undetectable		 3vn2A-2uw2A:
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 SER A 264
TYR A  44
LEU A  59
HIS A  43
TYR A 169
 None
FE  A1347 (-4.1A)
None
FE  A1347 (-3.3A)
FE  A1347 (-4.3A)
 1.04A 3vn2A-2vp1A:
undetectable		 3vn2A-2vp1A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr7 MALONYLTRANSFERASE

(Nicotiana
tabacum) 		PF02458
(Transferase) 		5 SER A 415
ILE A 408
LEU A 323
PHE A  34
HIS A  35
 None
 1.38A 3vn2A-2xr7A:
undetectable		 3vn2A-2xr7A:
21.91
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 PHE A 133
LEU A 368
LEU A 269
MET A 268
TYR A 333
 None
SFE  A1447 (-4.9A)
SFE  A1447 ( 4.5A)
SFE  A1447 ( 4.2A)
None
 1.20A 3vn2A-2ykyA:
undetectable		 3vn2A-2ykyA:
23.86
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.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		5 ILE A 288
TYR A 284
LEU A 285
LEU A 298
HIS A 259
 None
None
None
None
ZN  A 303 ( 3.2A)
 1.49A 3vn2A-2yv5A:
undetectable		 3vn2A-2yv5A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		5 HIS A  80
ILE A 307
LEU A  86
LEU A 132
MET A 129
 ZN  A 401 (-3.2A)
None
None
None
None
 1.32A 3vn2A-2zbmA:
undetectable		 3vn2A-2zbmA:
21.94
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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 CYH A 251
HIS A 224
ILE A 223
LEU A 238
MET A 262
 None
 1.39A 3vn2A-2zy2A:
undetectable		 3vn2A-2zy2A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a77 INTERFERON
REGULATORY FACTOR 3

(Homo sapiens) 		PF10401
(IRF-3) 		5 CYH A 371
LEU A 196
LEU A 281
PHE A 325
TYR A 408
 None
 1.45A 3vn2A-3a77A:
undetectable		 3vn2A-3a77A:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 CYH A 285
SER A 289
ILE A 326
TYR A 327
LEU A 330
LEU A 353
MET A 364
HIS A 449
TYR A 473
 MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 ( 4.9A)
None
MC5  A   1 (-4.4A)
MC5  A   1 (-4.7A)
MC5  A   1 (-3.7A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
 0.72A 3vn2A-3b0qA:
40.5		 3vn2A-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 282
CYH A 285
SER A 289
ILE A 326
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.9A)
 0.85A 3vn2A-3b0qA:
40.5		 3vn2A-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 SER A 289
ILE A 326
LEU A 330
PHE A 282
TYR A 473
 MC5  A   1 (-2.6A)
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.4A)
MC5  A   1 (-4.4A)
MC5  A   1 (-4.9A)
 1.20A 3vn2A-3b0qA:
40.5		 3vn2A-3b0qA:
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.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 5 PHE A 419
HIS A 357
LEU A 338
PHE A 331
TYR A 180
 EDO  A 484 (-3.7A)
None
None
EDO  A 483 (-4.4A)
None
 1.48A 3vn2A-3c8vA:
undetectable		 3vn2A-3c8vA:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 PHE A 282
CYH A 285
ILE A 326
LEU A 330
LEU A 353
HIS A 449
TYR A 473
 L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
None
L41  A 501 (-4.9A)
None
L41  A 501 (-3.9A)
L41  A 501 (-4.8A)
 0.61A 3vn2A-3d5fA:
36.9		 3vn2A-3d5fA:
62.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 PHE D 282
CYH D 285
TYR D 327
LEU D 330
LEU D 353
MET D 364
HIS D 449
 None
PLB  D 701 (-3.2A)
None
PLB  D 701 ( 4.1A)
None
PLB  D 701 ( 4.8A)
None
 1.03A 3vn2A-3dzuD:
37.7		 3vn2A-3dzuD:
93.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		10 PHE D 282
SER D 289
HIS D 323
ILE D 326
TYR D 327
LEU D 330
LEU D 353
MET D 364
HIS D 449
TYR D 473
 None
PLB  D 701 ( 3.9A)
None
PLB  D 701 ( 4.5A)
None
PLB  D 701 ( 4.1A)
None
PLB  D 701 ( 4.8A)
None
None
 0.86A 3vn2A-3dzuD:
37.7		 3vn2A-3dzuD:
93.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 SER D 289
HIS D 323
ILE D 326
LEU D 330
PHE D 282
TYR D 473
 PLB  D 701 ( 3.9A)
None
PLB  D 701 ( 4.5A)
PLB  D 701 ( 4.1A)
None
None
 1.31A 3vn2A-3dzuD:
37.7		 3vn2A-3dzuD:
93.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0u GLUTATHIONE
PEROXIDASE

(Trypanosoma
cruzi) 		PF00255
(GSHPx) 		5 PHE A 103
ILE A 109
TYR A 120
LEU A 119
LEU A  39
 None
NH4  A   1 (-4.6A)
None
None
None
 1.25A 3vn2A-3e0uA:
undetectable		 3vn2A-3e0uA:
23.86
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.
3ffu PROBABLE
PYROPHOSPHOHYDROLASE

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		5 PHE A  52
HIS A  90
ILE A  97
LEU A  98
LEU A  84
 GTP  A4033 (-4.7A)
None
GTP  A4033 (-4.5A)
None
None
 1.39A 3vn2A-3ffuA:
undetectable		 3vn2A-3ffuA:
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.
3hf1 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 206
SER A 220
HIS A 134
TYR A 138
LEU A  93
 None
 1.28A 3vn2A-3hf1A:
undetectable		 3vn2A-3hf1A:
24.24
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.
3hjb GLUCOSE-6-PHOSPHATE
ISOMERASE

(Vibrio cholerae) 		PF00342
(PGI) 		5 ILE A 317
LEU A 318
LEU A 486
MET A 489
HIS A 304
 None
 0.96A 3vn2A-3hjbA:
undetectable		 3vn2A-3hjbA:
19.62
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.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		5 ILE A 437
TYR A 509
LEU A 440
LEU A 547
HIS A 510
 None
 1.29A 3vn2A-3jd8A:
undetectable		 3vn2A-3jd8A:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7v PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1377C

(Streptococcus
mutans) 		PF01300
(Sua5_yciO_yrdC) 		5 CYH A  95
ILE A 129
LEU A  69
PHE A  82
HIS A  86
 None
 1.35A 3vn2A-3l7vA:
undetectable		 3vn2A-3l7vA:
20.77
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 6 PHE A 332
SER A  92
ILE A  88
TYR A  77
LEU A  85
LEU A  34
 None
BTM  A 704 (-3.6A)
None
None
None
None
 1.44A 3vn2A-3lg5A:
undetectable		 3vn2A-3lg5A:
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.
3lhn LIPOPROTEIN

(Shewanella
oneidensis) 		PF04170
(NlpE) 		5 PHE A  81
SER A  85
ILE A  69
LEU A  61
MET A 127
 None
 1.48A 3vn2A-3lhnA:
undetectable		 3vn2A-3lhnA:
20.88
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 CYH A  88
SER A 307
HIS A  92
LEU A  98
LEU A 144
 None
None
FE  A 506 ( 3.3A)
None
None
 1.32A 3vn2A-3ll8A:
undetectable		 3vn2A-3ll8A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mel THIAMIN
PYROPHOSPHOKINASE
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 PHE A 201
CYH A 160
ILE A 209
LEU A 176
PHE A 199
 None
 1.09A 3vn2A-3melA:
undetectable		 3vn2A-3melA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ILE A 428
TYR A 434
LEU A 437
LEU A 534
MET A 532
 None
 1.49A 3vn2A-3qdeA:
undetectable		 3vn2A-3qdeA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sf5 UREASE ACCESSORY
PROTEIN UREF

(Helicobacter
pylori) 		PF01730
(UreF) 		5 PHE A 146
ILE A 132
LEU A 135
LEU A 170
MET A 143
 None
 1.45A 3vn2A-3sf5A:
undetectable		 3vn2A-3sf5A:
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.
3tmq 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 2

(Burkholderia
pseudomallei) 		PF00793
(DAHP_synth_1) 		5 PHE A 196
SER A 168
LEU A 163
PHE A 182
MET A 185
 None
 1.37A 3vn2A-3tmqA:
undetectable		 3vn2A-3tmqA:
23.25
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		5 PHE A 530
ILE A 541
TYR A 452
LEU A 454
PHE A 444
 None
 1.32A 3vn2A-3ujzA:
undetectable		 3vn2A-3ujzA:
16.72
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ILE A1927
TYR A1912
LEU A1925
LEU A1814
TYR A1957
 None
 1.31A 3vn2A-3vkgA:
undetectable		 3vn2A-3vkgA:
6.80
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.
3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 244
SER A 258
HIS A 172
TYR A 176
LEU A 131
 None
 1.19A 3vn2A-3vpoA:
2.5		 3vn2A-3vpoA:
23.36
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.
4dj3 PERIOD CIRCADIAN
PROTEIN HOMOLOG 3

(Mus musculus) 		PF08447
(PAS_3) 		5 CYH A 278
SER A 302
ILE A 396
LEU A 399
LEU A 406
 None
 1.38A 3vn2A-4dj3A:
undetectable		 3vn2A-4dj3A:
21.99
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.
4djn RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		5 PHE A 206
SER A 220
HIS A 134
TYR A 138
LEU A  93
 None
 1.24A 3vn2A-4djnA:
2.2		 3vn2A-4djnA:
23.74
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.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 SER A 199
ILE A 142
LEU A 138
LEU A 126
MET A 153
 None
 1.36A 3vn2A-4gqbA:
undetectable		 3vn2A-4gqbA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		5 SER A  90
LEU A 287
PHE A 292
MET A 294
HIS A 326
 None
 1.28A 3vn2A-4grxA:
undetectable		 3vn2A-4grxA:
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.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		5 SER A 127
ILE A 104
LEU A 111
LEU A 387
PHE A 130
 None
 1.36A 3vn2A-4haqA:
undetectable		 3vn2A-4haqA:
21.38
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.
4hl4 TBC1 DOMAIN FAMILY
MEMBER 20

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		5 HIS A 147
ILE A 130
TYR A 142
LEU A 134
MET A 178
 None
 1.47A 3vn2A-4hl4A:
undetectable		 3vn2A-4hl4A:
24.92
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 CYH A 421
SER A 640
HIS A 425
LEU A 431
LEU A 477
 None
 1.22A 3vn2A-4il1A:
undetectable		 3vn2A-4il1A:
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.
4iqn PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF16728
(DUF5066) 		5 SER C  64
ILE C 170
TYR C 166
LEU C 167
LEU C  74
 None
 1.34A 3vn2A-4iqnC:
undetectable		 3vn2A-4iqnC:
24.27
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.
4irq BETA-1,4-GALACTOSYLT
RANSFERASE 7

(Homo sapiens) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		5 HIS A 184
ILE A 203
LEU A 258
HIS A 191
TYR A 199
 None
None
None
None
TRS  A 403 (-4.9A)
 1.33A 3vn2A-4irqA:
undetectable		 3vn2A-4irqA:
19.60
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.
4kf6 GLYCOLIPID TRANSFER
PROTEIN
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF08718
(GLTP) 		5 CYH A 138
SER A 141
HIS A 116
LEU A 122
LEU A  46
 None
 1.25A 3vn2A-4kf6A:
undetectable		 3vn2A-4kf6A:
21.96
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.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		5 HIS A   9
ILE A  11
TYR A  12
LEU A  21
LEU A  60
 None
 1.23A 3vn2A-4o6mA:
undetectable		 3vn2A-4o6mA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 CYH A  97
SER A 316
HIS A 101
LEU A 107
LEU A 153
 None
None
FE  A 602 (-3.9A)
None
None
 1.19A 3vn2A-4oraA:
undetectable		 3vn2A-4oraA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		5 CYH A  88
SER A 307
HIS A  92
LEU A  98
LEU A 144
 None
None
FE  A 602 (-4.1A)
None
None
 1.29A 3vn2A-4orbA:
undetectable		 3vn2A-4orbA:
20.20
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		5 SER A 245
ILE A 208
TYR A 204
LEU A 205
LEU A 311
 None
 1.25A 3vn2A-4r39A:
undetectable		 3vn2A-4r39A:
24.04
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.
4wbd BSHC

(Bacillus
subtilis) 		PF10079
(BshC) 		5 SER A 494
ILE A 387
LEU A 391
LEU A   6
TYR A 511
 ADP  A 601 ( 3.8A)
ADP  A 601 (-4.9A)
None
None
ADP  A 601 (-4.7A)
 1.45A 3vn2A-4wbdA:
undetectable		 3vn2A-4wbdA:
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.
4ztb PROTEASE NSP2

(Chikungunya
virus) 		PF01707
(Peptidase_C9) 		5 CYH A 285
TYR A 172
LEU A 174
LEU A 253
HIS A 217
 GOL  A 401 ( 4.5A)
None
None
None
None
 0.99A 3vn2A-4ztbA:
undetectable		 3vn2A-4ztbA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztb PROTEASE NSP2

(Chikungunya
virus) 		PF01707
(Peptidase_C9) 		5 HIS A 217
ILE A 216
LEU A 238
LEU A 206
TYR A 172
 None
 1.37A 3vn2A-4ztbA:
undetectable		 3vn2A-4ztbA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 CYH A 367
HIS A 361
ILE A 242
LEU A 241
LEU A 486
 None
 1.10A 3vn2A-4zzyA:
undetectable		 3vn2A-4zzyA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		5 CYH A 106
SER A 325
HIS A 110
LEU A 116
LEU A 162
 None
None
FE  A 402 ( 3.3A)
None
None
 1.28A 3vn2A-5b8iA:
undetectable		 3vn2A-5b8iA:
22.45
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.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF13489
(Methyltransf_23) 		5 ILE A 152
LEU A 131
LEU A 170
PHE A 163
MET A 166
 SAH  A 303 (-3.7A)
SAH  A 303 (-4.7A)
None
None
None
 1.21A 3vn2A-5bp9A:
undetectable		 3vn2A-5bp9A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6f BACTERIAL NON-HEME
FERRITIN

(Helicobacter
pylori) 		PF00210
(Ferritin) 		5 SER A 100
ILE A 101
TYR A 123
LEU A 120
LEU A  61
 None
None
IMD  A 204 (-3.7A)
None
None
 1.05A 3vn2A-5c6fA:
undetectable		 3vn2A-5c6fA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		5 CYH A 354
HIS A 348
ILE A 229
LEU A 228
LEU A 473
 None
 1.14A 3vn2A-5dsyA:
undetectable		 3vn2A-5dsyA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g49 NUCLEAR
TRANSCRIPTION FACTOR
Y SUBUNIT B-6
NUCLEAR
TRANSCRIPTION FACTOR
Y SUBUNIT C-3

(Arabidopsis
thaliana) 		PF00808
(CBFD_NFYB_HMF) 		5 PHE A 131
ILE B  76
LEU B  71
LEU B 106
PHE B 104
 None
 1.44A 3vn2A-5g49A:
undetectable		 3vn2A-5g49A:
15.77
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.
5hns NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		no annotation 5 ILE A 437
TYR A 509
LEU A 440
LEU A 547
HIS A 510
 None
 1.39A 3vn2A-5hnsA:
undetectable		 3vn2A-5hnsA:
24.91
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 259
CYH A 263
SER A 237
TYR A 410
LEU A 211
 None
 1.28A 3vn2A-5keiA:
undetectable		 3vn2A-5keiA:
19.25
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 SER A 357
ILE A 360
TYR A 181
LEU A 363
HIS A 177
 None
 1.32A 3vn2A-5kl0A:
undetectable		 3vn2A-5kl0A:
21.66
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.
5nla PUTATIVE
TRANSCRIPTIONAL
REGULATOR
TRANSCRIPTION
REGULATOR PROTEIN

(Sinorhizobium
meliloti) 		PF12833
(HTH_18)
PF14525
(AraC_binding_2) 		5 SER A 168
LEU A  89
LEU A  70
MET A  67
HIS A 107
 None
 1.45A 3vn2A-5nlaA:
undetectable		 3vn2A-5nlaA:
20.74
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.
5u1a FERRITIN,MTRE
PROTEIN CHIMERA

(Helicobacter
pylori;
Neisseria
gonorrhoeae) 		no annotation 5 SER A 115
ILE A 116
TYR A 138
LEU A 135
LEU A  76
 None
 1.12A 3vn2A-5u1aA:
undetectable		 3vn2A-5u1aA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 5 PHE A 257
CYH A 261
SER A 235
TYR A 408
LEU A 209
 B5M  A 601 (-3.6A)
B5M  A 601 (-3.6A)
None
None
None
 1.24A 3vn2A-5wm4A:
undetectable		 3vn2A-5wm4A:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zgb PSAD

(Cyanidioschyzon
merolae) 		no annotation 5 ILE D  78
TYR D  81
LEU D  59
MET D  30
HIS D  96
 None
 1.39A 3vn2A-5zgbD:
undetectable		 3vn2A-5zgbD:
16.43
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.
5zgb PSAD

(Cyanidioschyzon
merolae) 		no annotation 5 TYR D  81
LEU D  72
LEU D  59
MET D  30
HIS D  96
 None
 1.47A 3vn2A-5zgbD:
undetectable		 3vn2A-5zgbD:
16.43
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 5 SER A  88
ILE A  90
PHE A 332
HIS A 313
TYR A 200
 None
 1.46A 3vn2A-6c62A:
undetectable		 3vn2A-6c62A:
13.83
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Mus musculus) 		no annotation 5 ILE H  15
LEU H  14
LEU H 222
PHE H 224
MET H 225
 None
 1.15A 3vn2A-6g72H:
undetectable		 3vn2A-6g72H:
14.39