SIMILAR PATTERNS OF AMINO ACIDS FOR 4O1E_A_C2FA3000_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aj8 CITRATE SYNTHASE

(Pyrococcus
furiosus) 		PF00285
(Citrate_synt) 		5 ILE A 102
LEU A  98
GLY A 214
SER A 193
ILE A 211
 None
 0.99A 4o1eA-1aj8A:
undetectable		 4o1eA-1aj8A:
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.
1e0t PYRUVATE KINASE

(Escherichia
coli) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLU A 222
ILE A 203
LEU A 178
GLY A  69
ASN A 159
 None
 1.09A 4o1eA-1e0tA:
9.3		 4o1eA-1e0tA:
21.98
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.
1eov ASPARTYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ILE A 197
ILE A 149
GLY A 170
LYS A  95
ILE A 191
 None
 1.05A 4o1eA-1eovA:
undetectable		 4o1eA-1eovA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		7 ASN A   9
ASP A  75
ILE A 120
ASP A 160
GLY A 196
SER A 198
ILE A 227
 None
 1.15A 4o1eA-1f6yA:
33.6		 4o1eA-1f6yA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		6 ASN A  45
ILE A 120
LEU A 122
ASP A 160
GLY A 196
ILE A 227
 None
 0.82A 4o1eA-1f6yA:
33.6		 4o1eA-1f6yA:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		8 GLU A   6
ASN A   9
ASP A  75
ILE A 120
LEU A 122
ASP A 160
GLY A 196
ILE A 227
 None
 0.60A 4o1eA-1f6yA:
33.6		 4o1eA-1f6yA:
32.31
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(CYTOCHROME SUBUNIT)

(Allochromatium
vinosum) 		no annotation 5 ILE C  53
ILE C 120
GLY C  19
ILE C  29
ASN C  10
 HEM  C 901 (-4.4A)
None
None
HEM  C 901 (-4.4A)
None
 1.05A 4o1eA-1fcdC:
undetectable		 4o1eA-1fcdC:
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.
1h8l CARBOXYPEPTIDASE
GP180 RESIDUES
503-882

(Lophonetta
specularioides) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 ASN A 179
ILE A  70
ASP A 193
GLY A 254
ASN A 137
 None
 1.15A 4o1eA-1h8lA:
undetectable		 4o1eA-1h8lA:
21.17
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.
1jih DNA POLYMERASE ETA

(Saccharomyces
cerevisiae) 		PF00817
(IMS)
PF11799
(IMS_C) 		5 ILE A  10
ILE A 212
LEU A 183
ILE A 190
ASN A 198
 None
 1.18A 4o1eA-1jihA:
undetectable		 4o1eA-1jihA:
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 ILE A 277
ILE A 105
LEU A 101
GLY A 157
ILE A 185
 None
 0.85A 4o1eA-1jjiA:
undetectable		 4o1eA-1jjiA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 ILE A 277
ILE A 105
LEU A 101
GLY A 158
ILE A 185
 None
 1.11A 4o1eA-1jjiA:
undetectable		 4o1eA-1jjiA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ILE A 377
ILE A 442
LEU A 497
GLY A 481
ILE A 413
 None
 1.12A 4o1eA-1n7rA:
undetectable		 4o1eA-1n7rA:
17.83
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.
1nhc POLYGALACTURONASE I

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		5 ILE A 158
ILE A 276
GLY A 215
SER A 193
ILE A 212
 None
 1.05A 4o1eA-1nhcA:
undetectable		 4o1eA-1nhcA:
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.
1q15 CARA

(Pectobacterium
carotovorum) 		PF00733
(Asn_synthase)
PF09147
(DUF1933) 		5 ILE A 223
ILE A 243
LEU A 245
GLY A 344
SER A 347
 None
 0.96A 4o1eA-1q15A:
undetectable		 4o1eA-1q15A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 517
GLY B 737
SER B 731
ILE B 738
ASN B 639
 None
None
None
MCN  B4921 ( 4.5A)
None
 1.03A 4o1eA-1t3qB:
undetectable		 4o1eA-1t3qB:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yll CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF05962
(HutD) 		5 ASN A 110
ILE A 112
ASP A 108
LEU A 101
GLY A  22
 None
 1.16A 4o1eA-1yllA:
undetectable		 4o1eA-1yllA:
24.07
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.
2cda GLUCOSE
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		5 GLU A  67
ASN A  89
ILE A  45
LEU A  50
GLY A  40
 ZN  A1368 (-3.1A)
None
None
None
None
 1.08A 4o1eA-2cdaA:
undetectable		 4o1eA-2cdaA:
22.25
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 ILE A 497
ILE A 113
LEU A 109
GLY A 131
ASN A 429
 None
 1.16A 4o1eA-2hj0A:
undetectable		 4o1eA-2hj0A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iod DIHYDROFLAVONOL
4-REDUCTASE

(Vitis vinifera) 		PF01370
(Epimerase) 		5 ILE A 188
LEU A 297
GLY A 249
ILE A 186
ASN A 182
 None
 1.15A 4o1eA-2iodA:
undetectable		 4o1eA-2iodA:
24.59
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.
2iuu DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 GLU A 534
ILE A 717
LEU A 456
GLY A 623
ILE A 624
 None
 1.07A 4o1eA-2iuuA:
undetectable		 4o1eA-2iuuA:
20.12
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.
2ki8 TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE,
SUBUNIT D (FWDD-2)

(Archaeoglobus
fulgidus) 		PF01568
(Molydop_binding) 		5 GLU A  27
ILE A  57
LEU A  65
ASP A  61
GLY A  94
 None
 1.19A 4o1eA-2ki8A:
undetectable		 4o1eA-2ki8A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ASN A1000
ILE A 952
LEU A1044
GLY A 968
ASN A 990
 None
 1.09A 4o1eA-2nm1A:
undetectable		 4o1eA-2nm1A:
19.41
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 ASN A 999
ILE A 951
LEU A1043
GLY A 967
ASN A 989
 None
 1.10A 4o1eA-2np0A:
undetectable		 4o1eA-2np0A:
12.30
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ILE A 148
ILE A  86
LEU A  90
GLY A  15
ILE A  16
 None
 0.94A 4o1eA-2q1yA:
2.3		 4o1eA-2q1yA:
22.08
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.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		5 ILE A 356
ILE A 118
LEU A 119
GLY A 292
ILE A 291
 None
 1.20A 4o1eA-2r7mA:
undetectable		 4o1eA-2r7mA:
22.77
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.
2v9y PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A 690
LEU A 702
GLY A 736
SER A 616
ILE A 681
 None
 1.20A 4o1eA-2v9yA:
undetectable		 4o1eA-2v9yA:
22.57
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.
2vpq ACETYL-COA
CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 306
ILE A 208
LEU A 246
GLY A 255
ILE A 210
 None
 1.07A 4o1eA-2vpqA:
undetectable		 4o1eA-2vpqA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wz8 CELLULOSOME PROTEIN
DOCKERIN TYPE I

(Ruminiclostridium
thermocellum) 		PF03422
(CBM_6) 		5 ASN A  18
ILE A 146
LEU A 120
ILE A 144
ASN A 140
 None
 1.06A 4o1eA-2wz8A:
undetectable		 4o1eA-2wz8A:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xla SLL1785 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE A  81
ILE A 133
LEU A 135
GLY A 112
ILE A 108
 None
 1.20A 4o1eA-2xlaA:
undetectable		 4o1eA-2xlaA:
21.22
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.
2xla SLL1785 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE A  81
ILE A 133
LEU A 135
GLY A 113
ILE A 108
 None
 1.19A 4o1eA-2xlaA:
undetectable		 4o1eA-2xlaA:
21.22
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.
2xla SLL1785 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE A  91
ILE A 133
LEU A 135
GLY A 113
ILE A 108
 None
 1.12A 4o1eA-2xlaA:
undetectable		 4o1eA-2xlaA:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		7 ASN A  10
ASP A  76
ILE A 121
ASP A 161
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 1.09A 4o1eA-2ycjA:
35.3		 4o1eA-2ycjA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		5 ASN A  46
ILE A 121
ASP A 161
GLY A 197
ILE A 228
 None
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 0.80A 4o1eA-2ycjA:
35.3		 4o1eA-2ycjA:
36.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		8 GLU A   7
ASN A  10
ASP A  76
ILE A 121
LEU A 123
ASP A 161
GLY A 197
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 0.59A 4o1eA-2ycjA:
35.3		 4o1eA-2ycjA:
36.33
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ILE A 346
ILE A 215
LEU A 220
GLY A 273
ILE A 130
 None
 1.20A 4o1eA-3abiA:
undetectable		 4o1eA-3abiA:
24.68
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 ASN A 323
ASP A 390
ILE A 435
LEU A 437
ASP A 473
GLY A 505
SER A 507
ILE A 536
 None
 1.15A 4o1eA-3bolA:
24.6		 4o1eA-3bolA:
21.95
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASN A 360
ILE A 435
ASP A 473
GLY A 505
ILE A 536
 None
 0.83A 4o1eA-3bolA:
24.6		 4o1eA-3bolA:
21.95
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		8 GLU A 320
ASN A 323
ASP A 390
ILE A 435
LEU A 437
ASP A 473
GLY A 505
ILE A 536
 None
 0.82A 4o1eA-3bolA:
24.6		 4o1eA-3bolA:
21.95
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.
3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE

(Escherichia
coli) 		PF03864
(Phage_cap_E) 		5 ASN A  46
ILE A  47
GLY A 153
ILE A 156
ASN A 149
 None
 1.09A 4o1eA-3bqwA:
undetectable		 4o1eA-3bqwA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f1x SERINE
ACETYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00132
(Hexapep) 		5 ILE A 272
ILE A 160
ASP A 133
GLY A 200
ILE A 199
 None
 1.16A 4o1eA-3f1xA:
undetectable		 4o1eA-3f1xA:
23.44
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.
3fju CARBOXYPEPTIDASE A1
CARBOXYPEPTIDASE A
INHIBITOR

(Homo sapiens;
Ascaris suum) 		PF00246
(Peptidase_M14)
PF15270
(ACI44) 		5 ILE B  57
ILE A 255
ASP A 256
GLY A 207
ILE A 243
 None
 1.20A 4o1eA-3fjuB:
undetectable		 4o1eA-3fjuB:
14.51
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.
3ge6 NITROREDUCTASE

(Exiguobacterium
sibiricum) 		PF00881
(Nitroreductase) 		5 ILE A  36
LEU A 148
SER A  80
ILE A  28
ASN A  25
 None
 1.09A 4o1eA-3ge6A:
undetectable		 4o1eA-3ge6A:
22.90
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.
3h14 AMINOTRANSFERASE,
CLASSES I AND II

(Ruegeria
pomeroyi) 		PF00155
(Aminotran_1_2) 		5 ILE A  77
ILE A 198
LEU A 111
GLY A 103
ILE A 225
 None
 0.94A 4o1eA-3h14A:
undetectable		 4o1eA-3h14A:
23.23
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.
3hko CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 2
CALMODULIN-LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		6 ILE A 136
ILE A  16
LEU A  91
GLY A  95
ILE A 121
ASN A 102
 None
ANP  A 329 ( 4.2A)
ANP  A 329 ( 4.7A)
None
None
None
 1.39A 4o1eA-3hkoA:
undetectable		 4o1eA-3hkoA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		6 ILE B 140
ILE B   3
LEU B 109
GLY B  55
ILE B 157
ASN B 133
 None
 1.11A 4o1eA-3hzhB:
undetectable		 4o1eA-3hzhB:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		6 GLU A 358
ASN A 361
ASP A 431
ASP A 519
GLY A 558
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.3A)
THH  A 642 (-3.4A)
THH  A 642 (-3.3A)
THH  A 642 (-4.2A)
 0.59A 4o1eA-3k13A:
27.8		 4o1eA-3k13A:
29.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khy PROPIONATE KINASE

(Francisella
tularensis) 		PF00871
(Acetate_kinase) 		5 ILE A 245
ILE A 295
LEU A 291
GLY A 268
ASN A 258
 None
 0.97A 4o1eA-3khyA:
undetectable		 4o1eA-3khyA:
24.94
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.
3n3b RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
SUBUNIT BETA

(Escherichia
coli) 		no annotation 5 ILE B 138
LEU B  26
GLY B 196
SER B 159
ILE B 199
 None
None
None
PEO  B 322 (-3.1A)
None
 1.16A 4o1eA-3n3bB:
undetectable		 4o1eA-3n3bB:
22.52
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		5 ILE A 313
ILE A 474
LEU A 475
GLY A 425
ILE A 417
 None
 1.15A 4o1eA-3odmA:
10.8		 4o1eA-3odmA:
22.08
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.
3p7m MALATE DEHYDROGENASE

(Francisella
tularensis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A   6
LEU A 247
GLY A 239
ILE A  76
ASN A 121
 None
 1.08A 4o1eA-3p7mA:
undetectable		 4o1eA-3p7mA:
22.35
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.
3qz4 ENDO-1,4-BETA-XYLANA
SE D

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		5 ILE A 196
LEU A 189
GLY A 132
ILE A 131
ASN A  98
 None
 1.13A 4o1eA-3qz4A:
undetectable		 4o1eA-3qz4A:
21.41
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.
3rsj BONT/F

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ASN A 869
ILE A 866
ASP A1069
ILE A 925
GLY A 886
 None
 1.12A 4o1eA-3rsjA:
undetectable		 4o1eA-3rsjA:
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.
3uf6 LMO1369 PROTEIN

(Listeria
monocytogenes) 		PF01515
(PTA_PTB) 		5 ILE A 196
ILE A 119
LEU A 281
GLY A 160
ILE A 161
 None
 1.16A 4o1eA-3uf6A:
undetectable		 4o1eA-3uf6A:
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ILE A 381
ILE A 270
LEU A 265
GLY A 474
ILE A 470
 ILE  A 381 ( 0.6A)
ILE  A 270 ( 0.7A)
LEU  A 265 ( 0.6A)
GLY  A 474 ( 0.0A)
ILE  A 470 ( 0.6A)
 1.10A 4o1eA-3ulkA:
undetectable		 4o1eA-3ulkA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 ILE A 118
ILE A 174
LEU A 180
ILE A 149
ASN A 187
 None
 1.13A 4o1eA-4aeeA:
9.3		 4o1eA-4aeeA:
17.55
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 GLU A 376
ASN A 379
ASP A 449
ASP A 537
GLY A 576
ILE A 611
ASN A 616
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.4A)
THG  A1652 (-3.4A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
None
 1.08A 4o1eA-4cczA:
28.3		 4o1eA-4cczA:
19.01
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.
4ddd IMMUNOGENIC PROTEIN

(Ehrlichia
chaffeensis) 		PF16868
(NMT1_3) 		5 GLU A  30
ILE A  34
LEU A 262
SER A 269
ILE A  32
 None
 1.15A 4o1eA-4dddA:
undetectable		 4o1eA-4dddA:
24.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ILE A 148
ILE A  86
LEU A  90
GLY A  15
ILE A  16
 None
 0.84A 4o1eA-4e6eA:
4.7		 4o1eA-4e6eA:
19.37
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.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		5 GLU E  38
ILE E  89
LEU E  93
GLY E  33
ILE E  37
 None
 0.91A 4o1eA-4f52E:
undetectable		 4o1eA-4f52E:
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 666
LEU A 670
GLY A 677
SER A 711
ASN A 735
 ILE  A 666 ( 0.7A)
LEU  A 670 ( 0.5A)
GLY  A 677 ( 0.0A)
SER  A 711 ( 0.0A)
ASN  A 735 ( 0.6A)
 1.20A 4o1eA-4flxA:
undetectable		 4o1eA-4flxA:
18.46
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 702
ILE A 666
LEU A 670
GLY A 677
ASN A 735
 ILE  A 702 ( 0.7A)
ILE  A 666 ( 0.7A)
LEU  A 670 ( 0.5A)
GLY  A 677 ( 0.0A)
ASN  A 735 ( 0.6A)
 1.09A 4o1eA-4flxA:
undetectable		 4o1eA-4flxA:
18.46
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 GLU M 736
ASN M 737
ILE M 848
LEU M 844
GLY M 833
 None
 0.99A 4o1eA-4gq2M:
undetectable		 4o1eA-4gq2M:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLU B 171
ILE B  62
ILE B 259
GLY B 226
ILE B 229
 None
 1.16A 4o1eA-4hdsB:
undetectable		 4o1eA-4hdsB:
22.89
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.
4ija XYLR PROTEIN

(Staphylococcus
aureus) 		PF00480
(ROK)
PF01047
(MarR) 		5 GLU A 179
ILE A 229
LEU A 302
GLY A 211
SER A 183
 PO4  A 501 (-3.8A)
GOL  A 502 (-4.0A)
GOL  A 502 (-4.6A)
K  A 507 ( 4.3A)
None
 1.17A 4o1eA-4ijaA:
undetectable		 4o1eA-4ijaA:
24.07
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.
4ilr CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS6 2

(Sulfolobus
solfataricus) 		PF10040
(CRISPR_Cas6) 		5 ILE A  31
ILE A  12
LEU A  14
GLY A 101
ILE A 112
 None
 1.20A 4o1eA-4ilrA:
undetectable		 4o1eA-4ilrA:
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 ILE E 309
ILE E  16
LEU E  15
GLY E  19
ILE E  18
 None
None
None
FAD  E 505 (-3.2A)
FAD  E 505 (-4.9A)
 1.18A 4o1eA-4kprE:
undetectable		 4o1eA-4kprE:
20.67
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.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 ILE A 188
ILE A 155
LEU A  10
GLY A 135
ILE A 134
 None
 1.20A 4o1eA-4l6uA:
undetectable		 4o1eA-4l6uA:
21.67
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 ILE A 108
ILE A 130
ASP A 129
ILE A 121
ASN A  58
 None
 1.16A 4o1eA-4l7zA:
12.4		 4o1eA-4l7zA:
25.21
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		6 ASN A 119
ILE A 120
ILE A  10
LEU A  45
ILE A  76
ASN A  80
 None
None
None
None
None
SO4  A 402 (-4.6A)
 1.33A 4o1eA-4mlcA:
undetectable		 4o1eA-4mlcA:
24.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		7 ASN A  10
ILE A  13
ASP A  44
ILE A 121
ASP A 161
GLY A 196
SER A 198
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
 1.31A 4o1eA-4o1eA:
49.4		 4o1eA-4o1eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		12 GLU A   7
ASN A  10
ILE A  13
ASP A  76
ILE A 121
LEU A 123
ASP A 161
GLY A 196
SER A 198
LYS A 208
ILE A 227
ASN A 232
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
C2F  A3000 (-3.6A)
C2F  A3000 ( 4.1A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 (-3.8A)
C2F  A3000 (-4.3A)
C2F  A3000 (-4.0A)
 0.14A 4o1eA-4o1eA:
49.4		 4o1eA-4o1eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 GLU A   7
ASN A  10
ILE A  13
LEU A 163
ASP A 161
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.26A 4o1eA-4o1eA:
49.4		 4o1eA-4o1eA:
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 ILE A 356
LEU A 350
SER A 265
ILE A 361
ASN A 132
 None
 1.09A 4o1eA-4ohtA:
undetectable		 4o1eA-4ohtA:
21.41
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.
4uft NUCLEOPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap) 		5 ILE B 223
ILE B  88
LEU B  87
GLY B  75
ILE B  74
 None
 1.03A 4o1eA-4uftB:
undetectable		 4o1eA-4uftB:
22.28
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 ILE A  51
LEU A 364
GLY A  61
ILE A 393
ASN A 429
 None
 1.14A 4o1eA-4v1yA:
5.9		 4o1eA-4v1yA:
23.68
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.
4wuv 2-HYDROXYCYCLOHEXANE
CARBOXYL-COA
DEHYDROGENASE

(Haemophilus
influenzae) 		PF00106
(adh_short) 		5 ILE A 166
ILE A 237
LEU A 223
GLY A 247
SER A 249
 NAD  A 301 (-3.9A)
None
None
None
None
 1.13A 4o1eA-4wuvA:
undetectable		 4o1eA-4wuvA:
25.88
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.
4ye9 GLUTAMINE--TRNA
LIGASE

(Homo sapiens) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2)
PF04558
(tRNA_synt_1c_R1) 		5 ILE A 499
ILE A 532
LEU A 325
GLY A 279
ILE A 278
 None
 1.05A 4o1eA-4ye9A:
undetectable		 4o1eA-4ye9A:
16.75
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.
4zbz URACIL-DNA
GLYCOSYLASE

(Sulfurisphaera
tokodaii) 		PF03167
(UDG) 		5 ILE A 140
ILE A 110
ASP A 107
ILE A 129
ASN A 136
 MES  A 202 ( 4.2A)
None
None
None
None
 1.12A 4o1eA-4zbzA:
undetectable		 4o1eA-4zbzA:
22.26
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.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 ILE B  20
ASP B 171
ASP B 217
GLY B 253
ILE B 252
 None
 1.08A 4o1eA-5b48B:
2.4		 4o1eA-5b48B:
19.94
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.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 ILE A  57
ILE A 241
LEU A 250
ILE A  47
ASN A  54
 None
 1.20A 4o1eA-5dtbA:
undetectable		 4o1eA-5dtbA:
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 GLU A 143
ILE A 534
GLY A 100
LYS A 123
ILE A  99
 None
 1.07A 4o1eA-5e84A:
undetectable		 4o1eA-5e84A:
18.87
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 ILE A 188
LEU A 175
GLY A  71
SER A  74
ASN A 253
 None
None
None
FAD  A 602 (-2.6A)
FAD  A 602 (-4.6A)
 1.20A 4o1eA-5glgA:
undetectable		 4o1eA-5glgA:
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.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 GLU A 257
ASN A 258
ILE A 241
LEU A 131
ILE A  75
 None
 1.18A 4o1eA-5hxsA:
undetectable		 4o1eA-5hxsA:
23.53
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 ILE B 133
ILE B 119
GLY B  90
SER B  73
ILE B  93
 None
 1.13A 4o1eA-5iklB:
undetectable		 4o1eA-5iklB:
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 GLU A 319
ILE A 628
LEU A 620
GLY A 602
ILE A 601
 None
 0.95A 4o1eA-5ksdA:
undetectable		 4o1eA-5ksdA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASN A 440
ILE A 417
LEU A 276
GLY A  19
ILE A  17
 None
 1.15A 4o1eA-5lnqA:
undetectable		 4o1eA-5lnqA:
24.20
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 5 ASN A 393
ILE A 395
ILE A 128
LEU A 129
GLY A  81
 None
 1.02A 4o1eA-5m3xA:
undetectable		 4o1eA-5m3xA:
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.
5mdm GLYCOPROTEIN

(Chandipura
vesiculovirus) 		no annotation 5 ILE E 360
LEU E 400
GLY E 392
ILE E 391
ASN E 375
 None
 1.14A 4o1eA-5mdmE:
undetectable		 4o1eA-5mdmE:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjs TUBULIN ALPHA-1
CHAIN

(Schizosaccharomyces
pombe) 		no annotation 6 ASN E 232
ILE E 235
ILE E  79
ASP E  73
GLY E  10
SER E 144
 GTP  E 500 (-3.3A)
None
None
GTP  E 500 (-3.6A)
GTP  E 500 (-3.1A)
GTP  E 500 (-3.5A)
 1.40A 4o1eA-5mjsE:
undetectable		 4o1eA-5mjsE:
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.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE D 299
LEU D 414
GLY D 376
ILE D 378
ASN D 999
 None
 0.96A 4o1eA-5t4yD:
undetectable		 4o1eA-5t4yD:
14.86
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.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE D1004
LEU D 414
GLY D 376
ILE D 378
ASN D 999
 None
 1.05A 4o1eA-5t4yD:
undetectable		 4o1eA-5t4yD:
14.86
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 ASN A 376
ASP A 443
GLY A 570
SER A 572
ILE A 603
 NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.5A)
 1.16A 4o1eA-5vopA:
28.2		 4o1eA-5vopA:
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.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 7 GLU A 373
ASN A 376
ASP A 443
LEU A 492
ASP A 531
GLY A 570
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
None
C2F  A3001 (-2.5A)
C2F  A3001 (-3.5A)
C2F  A3001 (-3.5A)
 0.50A 4o1eA-5vopA:
28.2		 4o1eA-5vopA:
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.
5vvr DNA REPAIR AND
RECOMBINATION
PROTEIN RAD26

(Saccharomyces
cerevisiae) 		no annotation 5 ILE M 494
LEU M 308
GLY M 321
ILE M 319
ASN M 503
 None
 1.20A 4o1eA-5vvrM:
undetectable		 4o1eA-5vvrM:
14.09
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.
5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S)
PF10588
(NADH-G_4Fe-4S_3)
PF13459
(Fer4_15)
PF13510
(Fer2_4) 		5 ILE A 492
LEU B 155
GLY B 177
SER A 478
ILE B 178
 None
None
None
SF4  A 601 (-3.5A)
None
 1.20A 4o1eA-5xfaA:
undetectable		 4o1eA-5xfaA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 5 ILE A 212
ILE A 113
LEU A  59
ILE A  95
ASN A 153
 None
 1.14A 4o1eA-5yjjA:
undetectable		 4o1eA-5yjjA:
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.
6ck0 BIOTIN ACETYL
COENZYME A
CARBOXYLASE
SYNTHETASE

(Helicobacter
pylori) 		no annotation 5 ILE A 148
LEU A 139
GLY A 128
ILE A 127
ASN A 117
 None
None
F5D  A 301 (-3.5A)
None
None
 0.95A 4o1eA-6ck0A:
undetectable		 4o1eA-6ck0A:
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ILE X 334
ILE X 566
LEU X 223
ASP X 218
GLY X  88
 None
 1.16A 4o1eA-6elqX:
undetectable		 4o1eA-6elqX:
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.
6ezn DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT WBP1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU G 126
GLY G 233
SER G 235
ILE G 232
ASN G 242
 None
 0.97A 4o1eA-6eznG:
undetectable		 4o1eA-6eznG:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 ILE A 839
ILE A 867
GLY A 988
SER A 991
ASN A 720
 None
 1.10A 4o1eA-6fn1A:
undetectable		 4o1eA-6fn1A:
undetectable