SIMILAR PATTERNS OF AMINO ACIDS FOR 4XP4_A_COCA706_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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ASP A 146
ALA A 231
GLY A 104
SER A 180
GLY A 253
 None
 1.26A 4xp4A-1dabA:
undetectable		 4xp4A-1dabA:
23.67
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.
1fzd FIBRINOGEN-420

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 ASP A 711
ALA A 713
ASP A 831
TYR A 832
GLY A 829
 None
 1.04A 4xp4A-1fzdA:
undetectable		 4xp4A-1fzdA:
16.91
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		5 ASP A 312
ALA A 192
TYR A  53
GLY A 144
GLY A 327
 None
 1.23A 4xp4A-1gk2A:
0.0		 4xp4A-1gk2A:
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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		5 ALA B 131
VAL B 259
GLY B 221
PHE B 248
GLY B 262
 None
 1.12A 4xp4A-1kwcB:
undetectable		 4xp4A-1kwcB:
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.
1lkd BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00903
(Glyoxalase) 		5 ALA A 132
VAL A 259
GLY A 222
PHE A 249
GLY A 262
 None
 1.11A 4xp4A-1lkdA:
undetectable		 4xp4A-1lkdA:
23.05
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.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		5 ALA A 104
ASP A 220
TYR A 221
GLY A 254
GLY A 248
 None
 1.25A 4xp4A-1luaA:
0.0		 4xp4A-1luaA:
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.
1nq6 XYS1

(Streptomyces
halstedii) 		PF00331
(Glyco_hydro_10) 		5 PHE A 203
ASP A 171
VAL A 188
TYR A 169
PHE A 224
 None
 1.15A 4xp4A-1nq6A:
0.8		 4xp4A-1nq6A:
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 111
VAL A 395
ASP A 394
PHE A 234
SER A 334
 None
 1.07A 4xp4A-1rxtA:
undetectable		 4xp4A-1rxtA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		5 PHE A 300
ALA A 114
VAL A 253
PHE A 255
GLY A 301
 None
 1.20A 4xp4A-1sy7A:
undetectable		 4xp4A-1sy7A:
21.82
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.
1u7n FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Enterococcus
faecalis) 		PF02504
(FA_synthesis) 		5 ASP A 140
ALA A 143
ASP A 137
GLY A 288
GLY A 159
 None
 1.02A 4xp4A-1u7nA:
0.0		 4xp4A-1u7nA:
21.39
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 PHE A 400
ASP A 335
GLY A 339
PHE A 342
SER A 238
 None
None
None
EDO  A1902 (-4.3A)
None
 1.27A 4xp4A-1ukcA:
0.0		 4xp4A-1ukcA:
22.07
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.
1v0m ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
lividans) 		PF00331
(Glyco_hydro_10) 		5 PHE A 204
ASP A 171
VAL A 189
TYR A 169
PHE A 225
 None
 1.17A 4xp4A-1v0mA:
undetectable		 4xp4A-1v0mA:
19.15
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.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		5 PHE A 204
ASP A 171
VAL A 189
TYR A 169
PHE A 225
 None
 1.16A 4xp4A-1v6uA:
undetectable		 4xp4A-1v6uA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6y ENDO-1,4-BETA-D-XYLA
NASE AND
ENDO-1,4-BETA-XYLANA
SE B

(Cellulomonas
fimi;
Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10) 		5 PHE A 204
ASP A 171
VAL A 189
TYR A 169
PHE A 224
 None
 1.19A 4xp4A-1v6yA:
undetectable		 4xp4A-1v6yA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 ALA A 311
VAL A 372
GLY A 307
SER A 398
GLY A 401
 None
None
None
CA  A 602 ( 3.7A)
None
 1.08A 4xp4A-1xhbA:
undetectable		 4xp4A-1xhbA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y2i HYPOTHETICAL PROTEIN
S0862

(Shigella
flexneri) 		PF01906
(YbjQ_1) 		5 ASP A  81
TYR A  84
PHE A  62
SER A  99
GLY A  23
 None
 1.19A 4xp4A-1y2iA:
undetectable		 4xp4A-1y2iA:
12.95
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 152
VAL A 350
TYR A  46
GLY A  95
GLY A 161
 None
 1.25A 4xp4A-1yqdA:
0.1		 4xp4A-1yqdA:
21.70
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.
2a81 CARB

(Pectobacterium
carotovorum) 		PF00378
(ECH_1) 		5 ALA A 142
VAL A  83
TYR A  87
GLY A 137
SER A 225
 None
BCN  A 501 (-4.6A)
None
None
None
 1.07A 4xp4A-2a81A:
undetectable		 4xp4A-2a81A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9s COMPETENCE/DAMAGE-IN
DUCIBLE PROTEIN CINA

(Agrobacterium
fabrum) 		PF02464
(CinA) 		5 ALA A 156
VAL A  51
ASP A  52
GLY A  35
GLY A  54
 None
 1.02A 4xp4A-2a9sA:
undetectable		 4xp4A-2a9sA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 ASP A   8
VAL A  65
TYR A  68
SER A  49
GLY A  82
 None
 1.03A 4xp4A-2a9vA:
undetectable		 4xp4A-2a9vA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		5 ALA A 305
ASP A 263
GLY A 252
PHE A 256
GLY A 259
 None
 1.24A 4xp4A-2bvtA:
undetectable		 4xp4A-2bvtA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1d SOXA

(Paracoccus
denitrificans) 		no annotation 5 ALA A 214
VAL A 274
TYR A 195
GLY A  64
GLY A 278
 None
None
None
HEC  A1292 (-3.4A)
None
 1.09A 4xp4A-2c1dA:
undetectable		 4xp4A-2c1dA:
18.70
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.
2c2g THREONINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 ALA A 201
VAL A 174
GLY A 207
SER A 210
GLY A 186
 None
 1.26A 4xp4A-2c2gA:
undetectable		 4xp4A-2c2gA:
22.67
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 PHE A 210
ALA A 230
VAL A  60
ASP A 159
GLY A 185
 None
 1.21A 4xp4A-2h8xA:
0.0		 4xp4A-2h8xA:
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.
2lfu GNA2132

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D) 		5 PHE A 420
VAL A 351
ASP A 352
GLY A 403
GLY A 353
 None
 1.25A 4xp4A-2lfuA:
undetectable		 4xp4A-2lfuA:
14.26
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.
2r5v PCZA361.1

(Amycolatopsis
orientalis) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ASP A  77
ALA A  79
VAL A 239
GLY A 118
PHE A 119
 None
 1.25A 4xp4A-2r5vA:
undetectable		 4xp4A-2r5vA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ALA A1342
VAL A1394
ASP A1396
GLY A1364
PHE A1383
 None
 1.16A 4xp4A-2vdcA:
undetectable		 4xp4A-2vdcA:
17.52
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 ASP A 440
VAL A 769
ASP A 768
GLY A 411
GLY A 763
 None
 1.25A 4xp4A-2vf8A:
undetectable		 4xp4A-2vf8A:
21.69
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.
2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 ALA A 549
VAL A 269
ASP A 521
PHE A 523
GLY A 500
 None
 1.20A 4xp4A-2xdfA:
3.7		 4xp4A-2xdfA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yiu CYTOCHROME B

(Paracoccus
denitrificans) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 ALA A  76
VAL A 186
GLY A 146
SER A 155
GLY A 158
 None
None
HEM  A 500 (-3.5A)
None
SMA  A 502 (-3.5A)
 1.27A 4xp4A-2yiuA:
undetectable		 4xp4A-2yiuA:
23.20
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.
2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Plasmodium
vivax) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 103
VAL A 363
ASP A 362
PHE A 226
SER A 319
 None
None
None
None
YNE  A1001 (-3.5A)
 1.16A 4xp4A-2yneA:
undetectable		 4xp4A-2yneA:
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.
2zbl PUTATIVE ISOMERASE

(Salmonella
enterica) 		PF07221
(GlcNAc_2-epim) 		5 ALA A 248
VAL A 208
ASP A 207
GLY A 170
PHE A 220
 None
 1.11A 4xp4A-2zblA:
undetectable		 4xp4A-2zblA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ALA A 325
VAL A 320
TYR A 332
GLY A 268
SER A 286
 None
 1.10A 4xp4A-3a0fA:
undetectable		 4xp4A-3a0fA:
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 ALA A  77
VAL A 184
GLY A 340
PHE A 290
SER A 359
 None
 1.17A 4xp4A-3b9tA:
undetectable		 4xp4A-3b9tA:
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 VAL A 372
GLY A 376
PHE A 374
SER A 334
GLY A 317
 None
GOL  A 505 ( 4.1A)
None
None
None
 1.28A 4xp4A-3cz8A:
undetectable		 4xp4A-3cz8A:
21.13
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		5 PHE A 260
ALA A 277
GLY A 283
SER A 262
GLY A 234
 None
 1.00A 4xp4A-3d3aA:
undetectable		 4xp4A-3d3aA:
22.29
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.
3dea CUTINASE

(Colletotrichum
gloeosporioides) 		PF01083
(Cutinase) 		5 ALA A 211
VAL A  86
TYR A  51
GLY A  64
GLY A  88
 None
 1.16A 4xp4A-3deaA:
undetectable		 4xp4A-3deaA:
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.
3eja PROTEIN GH61E

(Thielavia
terrestris) 		PF03443
(Glyco_hydro_61) 		5 VAL A  31
ASP A  30
GLY A 140
PHE A 152
GLY A  29
 None
 1.26A 4xp4A-3ejaA:
undetectable		 4xp4A-3ejaA:
17.49
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.
3fd3 CHROMOSOME
REPLICATION
INITIATION INHIBITOR
PROTEIN

(Agrobacterium
fabrum) 		PF03466
(LysR_substrate) 		5 ALA A 188
ASP A 193
GLY A 213
SER A 252
GLY A 255
 None
 1.12A 4xp4A-3fd3A:
undetectable		 4xp4A-3fd3A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 ALA A 425
VAL A 105
ASP A 104
TYR A 103
GLY A 261
 None
 1.28A 4xp4A-3fedA:
undetectable		 4xp4A-3fedA:
23.40
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.
3ign DIGUANYLATE CYCLASE

(Marinobacter
hydrocarbonoclasticus) 		PF00990
(GGDEF) 		5 VAL A 277
ASP A 195
TYR A 275
GLY A 239
PHE A 192
 None
 1.06A 4xp4A-3ignA:
1.0		 4xp4A-3ignA:
13.87
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 PHE A 381
ASP A 275
ALA A 225
TYR A 279
SER A 349
 None
 1.15A 4xp4A-3ik2A:
undetectable		 4xp4A-3ik2A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		5 ALA A 125
VAL A 199
ASP A 227
GLY A 115
PHE A 114
 None
 1.28A 4xp4A-3jyoA:
undetectable		 4xp4A-3jyoA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 VAL A 104
TYR A 107
TYR A 108
PHE A 259
SER A 355
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
 0.46A 4xp4A-3mpnA:
37.9		 4xp4A-3mpnA:
29.18
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.
3oby PROTEIN PELOTA
HOMOLOG

(Archaeoglobus
fulgidus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 ALA A 336
VAL A 301
ASP A 302
GLY A 333
PHE A 291
 None
 1.12A 4xp4A-3obyA:
undetectable		 4xp4A-3obyA:
20.58
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING

(Geobacter
metallireducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ASP A  93
ALA A  71
VAL A  55
GLY A 106
GLY A  90
 None
None
CSO  A  52 ( 4.2A)
EDO  A 292 (-3.6A)
None
 1.15A 4xp4A-3pefA:
undetectable		 4xp4A-3pefA:
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 ASP A 131
ALA A 135
ASP A 126
TYR A  85
SER A 128
 None
 1.26A 4xp4A-3pl2A:
undetectable		 4xp4A-3pl2A:
22.59
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.
3pqs TRANSFERRIN-BINDING
PROTEIN

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 PHE A 520
VAL A 429
GLY A 505
SER A 425
GLY A 438
 None
None
GOL  A 529 ( 4.3A)
None
None
 1.11A 4xp4A-3pqsA:
undetectable		 4xp4A-3pqsA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pty ARABINOSYLTRANSFERAS
E C

(Mycobacterium
tuberculosis) 		PF14896
(Arabino_trans_C) 		5 ALA A 947
VAL A 850
GLY A 889
SER A 853
GLY A 789
 None
None
None
CA  A1125 ( 4.7A)
None
 1.28A 4xp4A-3ptyA:
undetectable		 4xp4A-3ptyA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qmw THIOESTERASE

(Streptomyces
coelicolor) 		PF00975
(Thioesterase) 		5 PHE A 242
ASP A 213
ALA A 216
ASP A 161
GLY A 163
 None
 1.21A 4xp4A-3qmwA:
undetectable		 4xp4A-3qmwA:
17.38
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.
3slu M23 PEPTIDASE DOMAIN
PROTEIN

(Neisseria
meningitidis) 		PF01551
(Peptidase_M23) 		5 ALA A 400
TYR A 254
TYR A 241
SER A 243
GLY A 250
 None
 0.98A 4xp4A-3sluA:
undetectable		 4xp4A-3sluA:
20.98
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.
3t33 G PROTEIN COUPLED
RECEPTOR

(Arabidopsis
thaliana) 		PF05147
(LANC_like) 		5 ASP A 396
ALA A 403
TYR A  84
GLY A 333
GLY A 388
 None
 1.22A 4xp4A-3t33A:
undetectable		 4xp4A-3t33A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tjz ADP-RIBOSYLATION
FACTOR 1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		5 PHE A 124
ALA A 120
VAL A  65
ASP A  67
GLY A 169
 None
None
None
MG  A 202 (-3.2A)
None
 1.00A 4xp4A-3tjzA:
undetectable		 4xp4A-3tjzA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 PHE A 146
ALA A 196
VAL A 156
TYR A 159
SER A 145
 None
NAP  A 601 (-3.2A)
None
NAP  A 601 (-4.7A)
NAP  A 601 (-3.3A)
 1.24A 4xp4A-3toxA:
undetectable		 4xp4A-3toxA:
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		5 PHE A 149
ALA A 201
ASP A  30
GLY A 154
GLY A 145
 None
 1.25A 4xp4A-3tp9A:
undetectable		 4xp4A-3tp9A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE

(Delftia sp.
HT23) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 ASP A 295
ALA A 290
ASP A 328
GLY A 299
GLY A 311
 None
 1.14A 4xp4A-3wqfA:
undetectable		 4xp4A-3wqfA:
23.40
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ALA A 367
VAL A 596
TYR A 484
GLY A 567
GLY A 486
 None
 1.11A 4xp4A-3zukA:
undetectable		 4xp4A-3zukA:
22.18
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.
4ads PDX2 PROTEIN

(Plasmodium
falciparum) 		PF01174
(SNO) 		5 VAL G 166
ASP G 116
GLY G  85
SER G  94
GLY G 114
 None
 1.24A 4xp4A-4adsG:
undetectable		 4xp4A-4adsG:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 PHE B3328
ASP B3266
ASP B3332
GLY B3364
GLY B3309
 None
 1.26A 4xp4A-4bedB:
undetectable		 4xp4A-4bedB:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e9x MULTICOPPER OXIDASE

(uncultured
bacterium) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASP A1096
VAL A1039
ASP A1125
GLY A1063
GLY A1099
 None
 1.19A 4xp4A-4e9xA:
undetectable		 4xp4A-4e9xA:
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.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A 367
ALA A 369
ASP A 227
GLY A 308
GLY A 228
 None
 1.21A 4xp4A-4ewgA:
undetectable		 4xp4A-4ewgA:
22.07
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ALA A 338
VAL A  95
GLY A 133
SER A 310
GLY A 312
 None
 1.26A 4xp4A-4kpgA:
0.4		 4xp4A-4kpgA:
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.
4lec PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21A

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 ASP A  94
ALA A  98
TYR A 147
GLY A  77
GLY A 142
 SAH  A 301 (-2.9A)
SAH  A 301 ( 4.0A)
SAH  A 301 (-4.4A)
None
None
 1.04A 4xp4A-4lecA:
undetectable		 4xp4A-4lecA:
18.18
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.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 PHE A 256
ALA A 178
ASP A 143
GLY A 262
GLY A 144
 None
 1.21A 4xp4A-4p6bA:
undetectable		 4xp4A-4p6bA:
22.20
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 PHE A 155
VAL A 432
ASP A 431
PHE A 278
SER A 378
 None
2XQ  A 505 (-4.5A)
None
2XQ  A 505 (-3.6A)
2XQ  A 505 (-3.1A)
 1.12A 4xp4A-4qbjA:
undetectable		 4xp4A-4qbjA:
20.22
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 PHE A 665
VAL A 737
GLY A 666
SER A 512
GLY A 514
 None
 1.23A 4xp4A-4rbnA:
undetectable		 4xp4A-4rbnA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ASP A 230
ALA A 132
ASP A  75
TYR A  79
GLY A 143
 None
 1.22A 4xp4A-4rf7A:
undetectable		 4xp4A-4rf7A:
22.24
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A 172
VAL A 210
ASP A 285
SER A 279
GLY A 283
 None
 0.79A 4xp4A-4rnwA:
0.3		 4xp4A-4rnwA:
20.18
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.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A 321
VAL A 359
ASP A  35
SER A  29
GLY A  33
 None
 0.81A 4xp4A-4rnxA:
undetectable		 4xp4A-4rnxA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 PHE A 228
TYR A  48
GLY A 143
SER A 230
GLY A 255
 None
ARA  A 401 (-3.7A)
None
None
None
 1.00A 4xp4A-4rxtA:
undetectable		 4xp4A-4rxtA:
21.40
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 PHE A 369
VAL A  62
GLY A 345
SER A 183
GLY A  57
 ICS  A 602 (-4.2A)
None
ICS  A 602 (-3.7A)
None
None
 1.29A 4xp4A-4wn9A:
undetectable		 4xp4A-4wn9A:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 PHE A  43
ASP A  46
ALA A  48
GLY A 322
PHE A 325
SER A 421
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
NA  A 601 ( 4.6A)
41U  A 605 ( 4.1A)
41U  A 605 ( 4.7A)
NA  A 602 ( 2.4A)
 0.82A 4xp4A-4xnuA:
62.8		 4xp4A-4xnuA:
98.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		7 PHE A  43
ASP A  46
ALA A  48
TYR A 124
GLY A 322
SER A 421
GLY A 424
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
NA  A 601 ( 4.6A)
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
None
 0.88A 4xp4A-4xnuA:
62.8		 4xp4A-4xnuA:
98.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		10 PHE A  43
ASP A  46
ALA A  48
VAL A 120
ASP A 121
TYR A 123
TYR A 124
GLY A 322
SER A 421
GLY A 425
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
NA  A 601 ( 4.6A)
41U  A 605 (-4.2A)
41U  A 605 ( 4.2A)
None
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
41U  A 605 ( 3.7A)
 0.61A 4xp4A-4xnuA:
62.8		 4xp4A-4xnuA:
98.69
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.
4ync NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ALA A  73
VAL A 111
ASP A 186
SER A 180
GLY A 184
 None
 0.84A 4xp4A-4yncA:
undetectable		 4xp4A-4yncA:
21.61
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.
5dl6 PUTATIVE PORIN FOR
VANILLATE
TRAFFICKING (VANP)

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 VAL A 246
ASP A 237
GLY A 168
PHE A 173
GLY A 244
 None
 1.25A 4xp4A-5dl6A:
undetectable		 4xp4A-5dl6A:
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.
5dl6 PUTATIVE PORIN FOR
VANILLATE
TRAFFICKING (VANP)

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 VAL A 246
ASP A 237
TYR A 207
GLY A 168
PHE A 173
 None
 1.25A 4xp4A-5dl6A:
undetectable		 4xp4A-5dl6A:
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.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A 128
VAL A  72
GLY A 319
PHE A  19
GLY A  16
 None
 1.14A 4xp4A-5eioA:
undetectable		 4xp4A-5eioA:
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03170
(BcsB)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		5 PHE A 120
ALA B 705
VAL A 462
PHE A 115
GLY A 119
 None
None
None
BGC  A 913 ( 4.7A)
None
 1.19A 4xp4A-5ej1A:
undetectable		 4xp4A-5ej1A:
21.70
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.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ASP D 287
ALA D 340
ASP D 227
GLY D 219
GLY D 225
 MG  D 601 ( 4.8A)
None
None
None
None
 1.27A 4xp4A-5fl7D:
undetectable		 4xp4A-5fl7D:
24.75
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.
5ham RICKCE

(Rickettsia
bellii) 		no annotation 5 ASP A 624
GLY A 656
PHE A 631
SER A 626
GLY A 629
 None
 1.04A 4xp4A-5hamA:
undetectable		 4xp4A-5hamA:
18.31
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.
5hl6 PUTATIVE GAF SENSOR
PROTEIN

(Burkholderia
vietnamiensis) 		PF13185
(GAF_2) 		5 ALA A 112
VAL A  66
GLY A  71
PHE A  69
GLY A  55
 None
 1.24A 4xp4A-5hl6A:
undetectable		 4xp4A-5hl6A:
13.94
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.
5hx0 UNCHARACTERIZED
PROTEIN DFER_1899

(Dyadobacter
fermentans) 		PF13088
(BNR_2) 		5 ASP A 123
VAL A  89
ASP A  90
GLY A 166
GLY A 120
 ACT  A 402 (-2.9A)
None
None
None
None
 1.20A 4xp4A-5hx0A:
undetectable		 4xp4A-5hx0A:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		6 ASP A  98
TYR A 175
TYR A 176
GLY A 338
SER A 438
GLY A 442
 None
 0.57A 4xp4A-5i6zA:
53.6		 4xp4A-5i6zA:
53.86
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC3

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF03870
(RNA_pol_Rpb8)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP A 602
VAL H  23
TYR H  20
GLY A 574
PHE A 540
 None
 1.17A 4xp4A-5ip9A:
undetectable		 4xp4A-5ip9A:
14.87
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.
5m0k BETA-XYLANASE

(Cellulomonas
flavigena) 		no annotation 5 PHE A 203
ASP A 171
VAL A 188
TYR A 169
PHE A 222
 None
 1.15A 4xp4A-5m0kA:
undetectable		 4xp4A-5m0kA:
9.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 ALA A 444
ASP A 390
TYR A 335
GLY A 458
GLY A 410
 None
 1.08A 4xp4A-5m11A:
undetectable		 4xp4A-5m11A:
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASP A 777
ALA A 752
VAL A  51
SER A 779
GLY A 383
 None
 1.11A 4xp4A-5m2nA:
undetectable		 4xp4A-5m2nA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nmi CYTOCHROME B

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 ALA C  62
VAL C 170
GLY C 130
SER C 139
GLY C 142
 None
None
HEM  C 501 (-3.7A)
None
None
 1.17A 4xp4A-5nmiC:
2.2		 4xp4A-5nmiC:
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.
5nno ALDEHYDE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00171
(Aldedh) 		5 ALA A 426
ASP A 263
GLY A 415
SER A 259
GLY A 226
 92N  A 602 (-3.6A)
None
None
NAD  A 601 ( 3.1A)
None
 1.29A 4xp4A-5nnoA:
undetectable		 4xp4A-5nnoA:
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.
5nno ALDEHYDE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00171
(Aldedh) 		5 ALA A 426
ASP A 263
GLY A 435
SER A 259
GLY A 226
 92N  A 602 (-3.6A)
None
None
NAD  A 601 ( 3.1A)
None
 1.04A 4xp4A-5nnoA:
undetectable		 4xp4A-5nnoA:
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.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		5 ASP A 138
ASP A 109
TYR A 108
GLY A 100
GLY A 110
 None
 1.26A 4xp4A-5u2nA:
undetectable		 4xp4A-5u2nA:
20.80
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.
5wwl CENTROMERE PROTEIN
MIS12

(Schizosaccharomyces
pombe) 		no annotation 5 VAL M  64
ASP M  65
TYR M  68
GLY M  28
PHE M  60
 None
 1.21A 4xp4A-5wwlM:
undetectable		 4xp4A-5wwlM:
17.30
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.
5yww NUCLEOTIDE BINDING
PROTEIN PINC

(Sulfolobus
islandicus) 		no annotation 5 VAL A 279
ASP A 317
TYR A 272
GLY A 345
GLY A 342
 None
 1.01A 4xp4A-5ywwA:
undetectable		 4xp4A-5ywwA:
10.31
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.
6b1z GLUTAMATE--TRNA
LIGASE

(Elizabethkingia
anophelis) 		PF00749
(tRNA-synt_1c) 		5 ALA A 418
VAL A 479
ASP A 478
GLY A 472
GLY A 476
 None
None
FMT  A 614 (-3.8A)
None
None
 1.19A 4xp4A-6b1zA:
undetectable		 4xp4A-6b1zA:
22.87
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 ASP A 253
VAL A 302
GLY A 216
PHE A 227
SER A 222
 None
 1.27A 4xp4A-6bq6A:
undetectable		 4xp4A-6bq6A:
8.24
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 PHE A 734
VAL A 643
TYR A 644
GLY A 698
GLY A 733
 None
 1.15A 4xp4A-6eoqA:
undetectable		 4xp4A-6eoqA:
7.58
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 5 ASP D 261
ALA D 314
ASP D 201
GLY D 193
GLY D 199
 MG  D 601 ( 4.2A)
None
None
None
None
 1.26A 4xp4A-6f5dD:
undetectable		 4xp4A-6f5dD:
10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fkh ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 ASP D 273
ALA D 326
ASP D 211
GLY D 203
GLY D 209
 None
 1.08A 4xp4A-6fkhD:
undetectable		 4xp4A-6fkhD:
8.83
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.
6ged PRGB

(Enterococcus
faecalis) 		no annotation 5 ALA A 553
VAL A 474
GLY A 517
PHE A 466
SER A 441
 None
 1.16A 4xp4A-6gedA:
undetectable		 4xp4A-6gedA:
8.42