SIMILAR PATTERNS OF AMINO ACIDS FOR 5N0S_A_SAMA501_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.
1crz TOLB PROTEIN

(Escherichia
coli) 		PF04052
(TolB_N)
PF07676
(PD40) 		4 SER A 183
ALA A 227
GLN A 314
THR A 270
 None
 1.35A 5n0sA-1crzA:
undetectable		 5n0sA-1crzA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzs SOPE

(Salmonella
enterica) 		PF07487
(SopE_GEF) 		4 SER B  99
ALA B 100
GLN B 109
THR B 110
 None
 1.23A 5n0sA-1gzsB:
undetectable		 5n0sA-1gzsB:
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.
1ibj CYSTATHIONINE
BETA-LYASE

(Arabidopsis
thaliana) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A 162
ALA A 159
GLN A 306
THR A 155
 None
 1.19A 5n0sA-1ibjA:
0.0		 5n0sA-1ibjA:
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 SER A 135
ALA A  74
GLN A 120
THR A  42
 None
 1.24A 5n0sA-1npcA:
0.0		 5n0sA-1npcA:
22.17
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 SER A 158
ALA A 161
GLN A  41
THR A  90
 None
 1.27A 5n0sA-1o94A:
0.7		 5n0sA-1o94A:
19.86
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 SER A  11
ALA A  12
GLN A  20
THR A 197
 None
 1.37A 5n0sA-1pe9A:
undetectable		 5n0sA-1pe9A:
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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		4 SER A 119
ALA A  86
GLN A  96
THR A  94
 None
 1.12A 5n0sA-1pzxA:
1.5		 5n0sA-1pzxA:
21.77
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.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		4 SER A 139
ALA A 141
GLN A  58
THR A 226
 CNB  A 400 ( 3.8A)
CNB  A 400 ( 4.7A)
None
None
 1.20A 5n0sA-1r1nA:
undetectable		 5n0sA-1r1nA:
22.04
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.
1s9c PEROXISOMAL
MULTIFUNCTIONAL
ENZYME TYPE 2

(Homo sapiens) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 SER A 223
ALA A 224
GLN A  92
THR A  59
 None
 1.27A 5n0sA-1s9cA:
0.2		 5n0sA-1s9cA:
21.88
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.
1vli SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSE

(Bacillus
subtilis) 		PF03102
(NeuB)
PF08666
(SAF) 		4 SER A 130
ALA A 129
GLN A  52
THR A 108
 None
 0.99A 5n0sA-1vliA:
undetectable		 5n0sA-1vliA:
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 SER A 235
ALA A 232
GLN A 155
THR A  44
 SER  A 235 ( 0.0A)
ALA  A 232 ( 0.0A)
GLN  A 155 ( 0.6A)
THR  A  44 ( 0.8A)
 1.44A 5n0sA-1wsvA:
undetectable		 5n0sA-1wsvA:
22.92
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.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		4 SER A 168
ALA A 169
GLN A 126
THR A 121
 None
 1.31A 5n0sA-1zjyA:
1.8		 5n0sA-1zjyA:
20.23
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A 138
ALA A 135
GLN A 322
THR A 324
 None
 1.21A 5n0sA-2f00A:
2.1		 5n0sA-2f00A:
24.61
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 246
ALA A 247
GLN A  91
THR A  10
 None
 1.09A 5n0sA-2gqdA:
undetectable		 5n0sA-2gqdA:
24.12
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.
2l5v PROTEASOMAL
UBIQUITIN RECEPTOR
ADRM1

(Homo sapiens) 		PF16550
(RPN13_C) 		4 SER A 290
ALA A 289
GLN A 337
THR A 332
 None
 1.48A 5n0sA-2l5vA:
undetectable		 5n0sA-2l5vA:
16.27
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.
2loz TENSIN-LIKE C1
DOMAIN-CONTAINING
PHOSPHATASE

(Homo sapiens) 		PF08416
(PTB) 		4 SER A1299
ALA A1298
GLN A1293
THR A1286
 None
 1.17A 5n0sA-2lozA:
undetectable		 5n0sA-2lozA:
16.59
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.
2lqg TALIN-1

(Mus musculus) 		no annotation 4 SER A1007
ALA A1004
GLN A1019
THR A 931
 None
 1.28A 5n0sA-2lqgA:
undetectable		 5n0sA-2lqgA:
18.94
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.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		4 SER A  78
ALA A  79
GLN A 249
THR A 245
 None
 1.42A 5n0sA-2qvpA:
1.4		 5n0sA-2qvpA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 SER A 180
ALA A 193
GLN A 122
THR A 101
 None
 1.47A 5n0sA-2xe5A:
undetectable		 5n0sA-2xe5A:
23.81
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH) 		4 SER A  54
ALA A  51
GLN A 262
THR A 247
 None
 0.96A 5n0sA-2ynmA:
undetectable		 5n0sA-2ynmA:
21.80
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.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		4 SER A 282
ALA A 281
GLN A 217
THR A 231
 None
 1.44A 5n0sA-3a9gA:
undetectable		 5n0sA-3a9gA:
20.49
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 4 SER A 325
ALA A 324
GLN A  74
THR A  65
 None
 1.09A 5n0sA-3ahmA:
undetectable		 5n0sA-3ahmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bi3 ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB

(Escherichia
coli) 		PF13532
(2OG-FeII_Oxy_2) 		4 SER A  42
ALA A  41
GLN A  84
THR A  62
 None
 1.28A 5n0sA-3bi3A:
undetectable		 5n0sA-3bi3A:
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.
3bop BETA-NEUREXIN 2D4

(Mus musculus) 		PF02210
(Laminin_G_2) 		4 SER A 125
ALA A 126
GLN A 227
THR A 121
 None
 1.43A 5n0sA-3bopA:
undetectable		 5n0sA-3bopA:
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.
3e4p C4-DICARBOXYLATE
TRANSPORT SENSOR
PROTEIN DCTB

(Sinorhizobium
meliloti) 		no annotation 4 SER A  70
ALA A  69
GLN A 304
THR A 293
 None
 1.08A 5n0sA-3e4pA:
undetectable		 5n0sA-3e4pA:
23.24
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.
3ieh PUTATIVE
METALLOPEPTIDASE

(Shewanella
baltica) 		PF04952
(AstE_AspA) 		4 SER A  79
ALA A  80
GLN A 250
THR A 246
 None
None
PGE  A 288 ( 3.5A)
None
 1.48A 5n0sA-3iehA:
1.5		 5n0sA-3iehA:
22.95
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 SER X 418
ALA X 393
GLN X 333
THR X 377
 None
 1.37A 5n0sA-3kvnX:
undetectable		 5n0sA-3kvnX:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 4 SER A 437
ALA A 435
GLN A 469
THR A 464
 None
 1.46A 5n0sA-3kwlA:
undetectable		 5n0sA-3kwlA:
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.
3mw3 NEUREXIN-2-BETA

(Rattus
norvegicus) 		PF02210
(Laminin_G_2) 		4 SER A 125
ALA A 126
GLN A 257
THR A 121
 None
 1.41A 5n0sA-3mw3A:
undetectable		 5n0sA-3mw3A:
20.33
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.
3r77 PROBABLE
ISOCHORISMATASE

(Pseudomonas
fluorescens) 		PF00857
(Isochorismatase) 		4 SER A 126
ALA A 127
GLN A  78
THR A  76
 None
None
QLI  A 500 (-3.0A)
None
 1.45A 5n0sA-3r77A:
1.2		 5n0sA-3r77A:
20.68
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 459
ALA A 458
GLN A  18
THR A 507
 None
 1.34A 5n0sA-3uggA:
undetectable		 5n0sA-3uggA:
22.41
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.
3vrd FLAVOCYTOCHROME C
HEME SUBUNIT

(Thermochromatium
tepidum) 		no annotation 4 SER A 172
ALA A 171
GLN A 124
THR A 126
 None
 1.28A 5n0sA-3vrdA:
undetectable		 5n0sA-3vrdA:
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 SER A 314
ALA A 315
GLN A 322
THR A 256
 None
 1.38A 5n0sA-3wiwA:
undetectable		 5n0sA-3wiwA:
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.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 SER A 127
ALA A  66
GLN A 112
THR A  37
 None
 1.24A 5n0sA-4b52A:
undetectable		 5n0sA-4b52A:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 SER B2234
ALA B2235
GLN B2221
THR B2262
 None
 1.29A 5n0sA-4bedB:
undetectable		 5n0sA-4bedB:
13.25
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.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 SER A 337
ALA A 338
GLN A 378
THR A 340
 G  Y  53 ( 2.3A)
None
None
U  Y  52 ( 4.3A)
 1.14A 5n0sA-4cxhA:
undetectable		 5n0sA-4cxhA:
23.47
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.
4e54 DNA DAMAGE-BINDING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		4 SER B 409
ALA B 408
GLN B 105
THR B 406
 None
 1.42A 5n0sA-4e54B:
undetectable		 5n0sA-4e54B:
20.85
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.
4ep6 CYTOCHROME P450-LIKE
PROTEIN XPLA

(Rhodococcus
rhodochrous) 		PF00067
(p450) 		4 SER A 240
ALA A 237
GLN A 251
THR A 384
 None
HEM  A 601 (-3.1A)
None
None
 1.27A 5n0sA-4ep6A:
undetectable		 5n0sA-4ep6A:
23.13
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 SER C1016
ALA C1017
GLN C1038
THR C1031
 None
 1.42A 5n0sA-4hb4C:
undetectable		 5n0sA-4hb4C:
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		4 SER A  59
ALA A  58
GLN A  31
THR A 105
 None
 1.25A 5n0sA-4hu8A:
undetectable		 5n0sA-4hu8A:
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A 138
ALA A 135
GLN A 322
THR A 324
 None
 1.19A 5n0sA-4hv4A:
2.2		 5n0sA-4hv4A:
24.39
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.
4kf9 GLUTATHIONE
S-TRANSFERASE
PROTEIN

(Ralstonia
solanacearum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 SER A 110
ALA A 107
GLN A 159
THR A 157
 None
 1.08A 5n0sA-4kf9A:
undetectable		 5n0sA-4kf9A:
23.24
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.
4m9a ACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 SER A 324
ALA A 323
GLN A 318
THR A 299
 None
 1.40A 5n0sA-4m9aA:
undetectable		 5n0sA-4m9aA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		4 SER A 234
ALA A 233
GLN A 243
THR A 253
 None
 1.33A 5n0sA-4mptA:
undetectable		 5n0sA-4mptA:
21.88
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.21A 5n0sA-4q1qA:
undetectable		 5n0sA-4q1qA:
20.85
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.18A 5n0sA-4q1qA:
undetectable		 5n0sA-4q1qA:
20.85
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 SER A 230
ALA A 231
GLN A 260
THR A 234
 289  A 416 (-1.3A)
None
None
None
 1.26A 5n0sA-4q1qA:
undetectable		 5n0sA-4q1qA:
20.85
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.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		4 SER A 169
ALA A 170
GLN A 127
THR A 122
 None
 1.26A 5n0sA-4rf3A:
1.9		 5n0sA-4rf3A:
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 714
ALA A 711
GLN A 664
THR A 674
 None
 1.42A 5n0sA-4rvwA:
undetectable		 5n0sA-4rvwA:
19.58
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		4 SER A 328
ALA A 327
GLN A 257
THR A 345
 None
 1.38A 5n0sA-4v39A:
undetectable		 5n0sA-4v39A:
21.30
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.
4wzb NITROGENASE IRON
PROTEIN 1

(Azotobacter
vinelandii) 		PF00142
(Fer4_NifH) 		4 SER E  44
ALA E  42
GLN E  54
THR E  56
 None
 1.29A 5n0sA-4wzbE:
undetectable		 5n0sA-4wzbE:
22.12
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.
4xcw MOLYBDOPTERIN
ADENYLYLTRANSFERASE

(Helicobacter
pylori) 		PF00994
(MoCF_biosynth) 		4 SER A  12
ALA A  11
GLN A 119
THR A  84
 None
 1.32A 5n0sA-4xcwA:
undetectable		 5n0sA-4xcwA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 SER A 310
ALA A 311
GLN A 314
THR A 322
 None
 1.39A 5n0sA-4xeaA:
undetectable		 5n0sA-4xeaA:
22.27
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.
4xwj PHOSPHOCARRIER
PROTEIN HPR

(Escherichia
coli) 		PF00381
(PTS-HPr) 		4 SER B  43
ALA B  42
GLN B  51
THR B  52
 None
 1.13A 5n0sA-4xwjB:
undetectable		 5n0sA-4xwjB:
13.22
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 SER A 134
ALA A  73
GLN A 119
THR A  41
 None
 1.23A 5n0sA-5a3yA:
undetectable		 5n0sA-5a3yA:
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.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		4 SER A 206
ALA A 203
GLN A 191
THR A 189
 None
 1.32A 5n0sA-5ejyA:
undetectable		 5n0sA-5ejyA:
21.24
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.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO

(Homo sapiens) 		PF12933
(FTO_NTD)
PF12934
(FTO_CTD) 		4 SER A 240
ALA A 241
GLN A 147
THR A 150
 None
 1.38A 5n0sA-5f8pA:
undetectable		 5n0sA-5f8pA:
20.28
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 319
ALA A 320
GLN A 264
THR A 322
 None
 1.34A 5n0sA-5fp1A:
undetectable		 5n0sA-5fp1A:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		4 SER A 179
ALA A 193
GLN A 122
THR A 101
 None
 1.48A 5n0sA-5fvnA:
undetectable		 5n0sA-5fvnA:
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.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 SER B 277
ALA B 278
GLN B 242
THR B 337
 None
 1.38A 5n0sA-5fwxB:
undetectable		 5n0sA-5fwxB:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		4 SER A 540
ALA A 539
GLN A 292
THR A 508
 FAD  A 600 ( 4.3A)
None
None
None
 1.38A 5n0sA-5mogA:
undetectable		 5n0sA-5mogA:
22.91
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.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 4 SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.10A 5n0sA-5n0oA:
43.8		 5n0sA-5n0oA:
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.
5nen LIPASE C

(Serratia
marcescens) 		no annotation 4 SER A 256
ALA A 255
GLN A  88
THR A  92
 None
 1.35A 5n0sA-5nenA:
undetectable		 5n0sA-5nenA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 4 SER A 191
ALA A 188
GLN A 481
THR A 482
 DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
 1.27A 5n0sA-5nitA:
undetectable		 5n0sA-5nitA:
22.72
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 4 SER C 180
ALA C 194
GLN C 123
THR C 102
 None
 1.45A 5n0sA-5o9cC:
undetectable		 5n0sA-5o9cC:
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 SER A 248
ALA A 249
GLN A 244
THR A 190
 None
 1.18A 5n0sA-5tu0A:
undetectable		 5n0sA-5tu0A:
20.05
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 SER A 353
ALA A 354
GLN A 361
THR A 427
 None
 1.23A 5n0sA-5uj1A:
2.9		 5n0sA-5uj1A:
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 SER A1225
ALA A1226
GLN A 580
THR A 999
 None
 1.41A 5n0sA-5ujaA:
undetectable		 5n0sA-5ujaA:
15.19
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.
5vlq LOC100158544 PROTEIN

(Xenopus
tropicalis) 		PF03133
(TTL) 		4 SER A 524
ALA A 523
GLN A 520
THR A 144
 None
None
ANP  A 601 (-3.3A)
None
 1.39A 5n0sA-5vlqA:
undetectable		 5n0sA-5vlqA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgr SPIKE PROTEIN S1

(Pipistrellus
bat coronavirus
HKU5) 		PF09408
(Spike_rec_bind) 		4 SER A 149
ALA A 148
GLN A 157
THR A 166
 None
 1.22A 5n0sA-5xgrA:
undetectable		 5n0sA-5xgrA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 4 SER A 346
ALA A 347
GLN A 389
THR A 390
 None
 1.42A 5n0sA-6ez8A:
undetectable		 5n0sA-6ez8A:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 4 SER A 207
ALA A 208
GLN A 674
THR A 233
 None
 1.34A 5n0sA-6fuyA:
undetectable		 5n0sA-6fuyA:
undetectable