SIMILAR PATTERNS OF AMINO ACIDS FOR 4O1E_B_C2FB4000

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.
1dhs DEOXYHYPUSINE
SYNTHASE

(Homo sapiens) 		PF01916
(DS) 		5 ILE A 116
LEU A 128
GLY A 134
ILE A 108
ASN A 164
 None
 1.17A 4o1eB-1dhsA:
undetectable		 4o1eB-1dhsA:
23.75
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.
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
 1.11A 4o1eB-1e0tA:
13.5		 4o1eB-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
 1.03A 4o1eB-1eovA:
undetectable		 4o1eB-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) 		6 ASN A   9
ASP A  75
ILE A 120
GLY A 196
SER A 198
ILE A 227
 None
 1.21A 4o1eB-1f6yA:
33.6		 4o1eB-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) 		5 ASN A  45
ILE A 120
LEU A 122
GLY A 196
ILE A 227
 None
 0.91A 4o1eB-1f6yA:
33.6		 4o1eB-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
GLY A 196
ASN A 199
ILE A 227
 None
 0.75A 4o1eB-1f6yA:
33.6		 4o1eB-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
 1.01A 4o1eB-1fcdC:
undetectable		 4o1eB-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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ILE A 231
ILE A 174
LEU A  29
GLY A  94
ASN A 141
 None
None
None
ADP  A 400 ( 4.5A)
ILE  A 500 (-4.2A)
 0.93A 4o1eB-1h74A:
undetectable		 4o1eB-1h74A:
21.45
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 ILE A 277
ILE A 105
LEU A 101
GLY A 157
ILE A 185
 None
 0.81A 4o1eB-1jjiA:
undetectable		 4o1eB-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
 1.03A 4o1eB-1jjiA:
undetectable		 4o1eB-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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ILE A 479
ILE A 616
LEU A 611
GLY A 505
SER A 507
 None
 0.90A 4o1eB-1l5jA:
undetectable		 4o1eB-1l5jA:
15.81
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 141
LEU A 110
GLY A 186
ASN A 188
ILE A 185
 None
 0.94A 4o1eB-1lcyA:
undetectable		 4o1eB-1lcyA:
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.
1ng0 COAT PROTEIN

(Cocksfoot
mottle virus) 		PF00729
(Viral_coat) 		5 ILE A 115
ILE A 101
LEU A 243
GLY A  67
ILE A  69
 ILE  A 115 ( 0.4A)
ILE  A 101 ( 0.7A)
LEU  A 243 ( 0.6A)
GLY  A  67 ( 0.0A)
ILE  A  69 ( 0.7A)
 1.06A 4o1eB-1ng0A:
undetectable		 4o1eB-1ng0A:
19.23
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.
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
 1.02A 4o1eB-1nhcA:
undetectable		 4o1eB-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
 1.00A 4o1eB-1q15A:
undetectable		 4o1eB-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.
1r3d CONSERVED
HYPOTHETICAL PROTEIN
VC1974

(Vibrio cholerae) 		PF12697
(Abhydrolase_6) 		5 ILE A 253
ILE A  71
LEU A  50
GLY A  94
ILE A  97
 None
 1.19A 4o1eB-1r3dA:
3.5		 4o1eB-1r3dA:
21.02
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.
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
 1.07A 4o1eB-1t3qB:
undetectable		 4o1eB-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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ASN A 625
ILE A 664
LEU A 693
GLY A 648
ILE A 650
 None
 1.12A 4o1eB-1xpgA:
3.5		 4o1eB-1xpgA:
16.71
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.
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
 1.17A 4o1eB-1yllA:
undetectable		 4o1eB-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
 1.10A 4o1eB-2cdaA:
undetectable		 4o1eB-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.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 ASN A 446
ILE A 534
ASP A 444
ILE A 464
ASN A 438
 None
 1.17A 4o1eB-2du7A:
undetectable		 4o1eB-2du7A:
19.39
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.
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
 1.19A 4o1eB-2iodA:
undetectable		 4o1eB-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
 1.03A 4o1eB-2iuuA:
undetectable		 4o1eB-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.
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 4o1eB-2nm1A:
undetectable		 4o1eB-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
 1.09A 4o1eB-2np0A:
undetectable		 4o1eB-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
 0.90A 4o1eB-2q1yA:
2.0		 4o1eB-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.
2rg2 CHOLOYLGLYCINE
HYDROLASE

(Clostridium
perfringens) 		PF02275
(CBAH) 		5 ILE A 149
ILE A 255
LEU A 256
GLY A 171
SER A 153
 None
None
None
EDO  A 331 (-3.2A)
EDO  A 331 (-2.7A)
 1.17A 4o1eB-2rg2A:
undetectable		 4o1eB-2rg2A:
23.77
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.
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
 1.10A 4o1eB-2vpqA:
undetectable		 4o1eB-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
 1.05A 4o1eB-2wz8A:
undetectable		 4o1eB-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 113
ILE A 108
 None
 1.18A 4o1eB-2xlaA:
undetectable		 4o1eB-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) 		6 ASN A  10
ASP A  76
ILE A 121
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 1.15A 4o1eB-2ycjA:
34.8		 4o1eB-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
GLY A 197
ASN A 200
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 (-3.4A)
C2F  A3000 ( 4.2A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-3.1A)
C2F  A3000 (-4.6A)
 0.87A 4o1eB-2ycjA:
34.8		 4o1eB-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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 ASN A 323
ASP A 390
ILE A 435
LEU A 437
GLY A 505
SER A 507
ILE A 536
 None
 1.21A 4o1eB-3bolA:
24.4		 4o1eB-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) 		6 ASP A 390
ILE A 435
LEU A 437
GLY A 505
ASN A 508
ILE A 536
 None
 0.98A 4o1eB-3bolA:
24.4		 4o1eB-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) 		7 GLU A 320
ASN A 323
ASP A 390
ILE A 435
LEU A 437
GLY A 505
ILE A 536
 None
 0.83A 4o1eB-3bolA:
24.4		 4o1eB-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
 1.14A 4o1eB-3bqwA:
undetectable		 4o1eB-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.
3fot 15-O-ACETYLTRANSFERA
SE

(Fusarium
sporotrichioides) 		PF07428
(Tri3) 		5 ILE A 478
ILE A  39
LEU A 421
SER A 335
ASN A 262
 None
 0.96A 4o1eB-3fotA:
undetectable		 4o1eB-3fotA:
21.87
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.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		5 ILE B 140
ILE B   3
LEU B 109
GLY B  55
ASN B 133
 None
 1.01A 4o1eB-3hzhB:
undetectable		 4o1eB-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.
3hzh CHEMOTAXIS OPERON
PROTEIN (CHEX)

(Borreliella
burgdorferi) 		PF13690
(CheX) 		5 ILE B 140
ILE B   3
LEU B 109
GLY B  55
ILE B 157
 None
 1.10A 4o1eB-3hzhB:
undetectable		 4o1eB-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) 		5 GLU A 358
ASN A 361
ASP A 431
GLY A 558
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.3A)
THH  A 642 (-3.3A)
THH  A 642 (-4.2A)
 0.63A 4o1eB-3k13A:
27.5		 4o1eB-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
 0.98A 4o1eB-3khyA:
undetectable		 4o1eB-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.
3lwf PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Listeria
innocua) 		PF02082
(Rrf2) 		5 ILE A  58
ILE A  79
LEU A  83
GLY A  53
ASN A  51
 None
None
None
None
SO4  A 148 (-3.0A)
 1.15A 4o1eB-3lwfA:
undetectable		 4o1eB-3lwfA:
23.96
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.
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
 1.15A 4o1eB-3n3bB:
undetectable		 4o1eB-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.
3num SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 ILE A 296
LEU A 265
GLY A 341
ASN A 343
ILE A 340
 None
 1.01A 4o1eB-3numA:
undetectable		 4o1eB-3numA:
22.54
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 ILE A 296
LEU A 265
GLY A 341
ASN A 343
ILE A 340
 None
 0.99A 4o1eB-3nwuA:
undetectable		 4o1eB-3nwuA:
23.72
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.
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
 1.11A 4o1eB-3p7mA:
undetectable		 4o1eB-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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 ILE A 504
ILE A 588
LEU A 553
GLY A 533
ASN A 513
 None
 1.07A 4o1eB-3q3hA:
undetectable		 4o1eB-3q3hA:
19.59
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.
3qbt RAS-RELATED PROTEIN
RAB-8A
INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens;
Homo sapiens) 		PF00071
(Ras)
no annotation 		5 ILE B 671
ILE A  38
GLY A  42
LYS B 604
ILE A  41
 None
None
SO4  B   1 ( 4.2A)
None
None
 1.19A 4o1eB-3qbtB:
undetectable		 4o1eB-3qbtB:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 4o1eB-3qz4A:
undetectable		 4o1eB-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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 LEU A 250
GLY A  70
SER A  97
ASN A  71
ILE A  68
 None
 1.12A 4o1eB-3r7tA:
undetectable		 4o1eB-3r7tA:
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.
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)
 1.16A 4o1eB-3ulkA:
undetectable		 4o1eB-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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ILE A 143
ILE A 207
GLY A 224
SER A 309
ASN A  75
 None
 1.12A 4o1eB-3v8xA:
undetectable		 4o1eB-3v8xA:
14.85
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.
4b5q GLYCOSIDE HYDROLASE
FAMILY 61 PROTEIN D

(Phanerochaete
chrysosporium) 		PF03443
(Glyco_hydro_61) 		5 GLU A 144
ILE A 193
LEU A  48
LYS A 104
ILE A 161
 None
 0.98A 4o1eB-4b5qA:
undetectable		 4o1eB-4b5qA:
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		6 GLU A 376
ASN A 379
ASP A 449
GLY A 576
ILE A 611
ASN A 616
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.4A)
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
None
 1.11A 4o1eB-4cczA:
27.6		 4o1eB-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
 1.13A 4o1eB-4dddA:
undetectable		 4o1eB-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
 0.80A 4o1eB-4e6eA:
undetectable		 4o1eB-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.
4f1p ARF-GAP WITH
COILED-COIL, ANK
REPEAT AND PH
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 ILE A 510
GLY A 436
SER A 432
ASN A 434
ILE A 481
 None
 1.05A 4o1eB-4f1pA:
undetectable		 4o1eB-4f1pA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		5 GLU E  38
ILE E  89
LEU E  93
GLY E  33
ILE E  37
 None
 0.89A 4o1eB-4f52E:
undetectable		 4o1eB-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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 GLU M 736
ASN M 737
ILE M 848
LEU M 844
GLY M 833
 None
 1.00A 4o1eB-4gq2M:
undetectable		 4o1eB-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.
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
 1.18A 4o1eB-4ijaA:
undetectable		 4o1eB-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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 296
ILE A 237
LEU A 239
GLY A 254
ILE A 353
 None
 1.19A 4o1eB-4ls5A:
undetectable		 4o1eB-4ls5A:
25.57
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 ASN A 119
ILE A 120
LEU A  45
ILE A  76
ASN A  80
 None
None
None
None
SO4  A 402 (-4.6A)
 1.15A 4o1eB-4mlcA:
undetectable		 4o1eB-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
GLY A 196
SER A 198
ASN A 199
 C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 ( 4.1A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 3.8A)
C2F  A3000 ( 4.3A)
 1.33A 4o1eB-4o1eA:
45.8		 4o1eB-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
GLY A 196
SER A 198
ASN A 199
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 ( 3.8A)
C2F  A3000 ( 4.3A)
C2F  A3000 (-3.8A)
C2F  A3000 (-4.3A)
C2F  A3000 (-4.0A)
 0.29A 4o1eB-4o1eA:
45.8		 4o1eB-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) 		5 GLU A   7
ASN A  10
ILE A  13
LEU A 163
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
C2F  A3000 ( 4.4A)
None
C2F  A3000 (-4.3A)
 0.94A 4o1eB-4o1eA:
45.8		 4o1eB-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
 1.12A 4o1eB-4ohtA:
undetectable		 4o1eB-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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ASN A 587
ILE A 662
LEU A 678
GLY A 654
ILE A 605
 None
 1.19A 4o1eB-4om9A:
undetectable		 4o1eB-4om9A:
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE K 205
ILE K  38
SER K 231
ILE K  97
ASN K 240
 None
 1.16A 4o1eB-4q66K:
undetectable		 4o1eB-4q66K:
17.91
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.
4ri0 SERINE PROTEASE
HTRA3

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 273
LEU A 242
GLY A 318
ASN A 320
ILE A 317
 None
 0.95A 4o1eB-4ri0A:
undetectable		 4o1eB-4ri0A:
23.84
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 ASN A 417
ILE A 416
GLY A 686
SER A 690
ILE A 550
 None
 1.09A 4o1eB-4u1rA:
undetectable		 4o1eB-4u1rA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 GLU A 376
ASN A 378
ASP A 670
ASN A 423
ILE A 373
 None
None
None
GIV  A1809 ( 4.6A)
None
 1.13A 4o1eB-4ufcA:
undetectable		 4o1eB-4ufcA:
16.56
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.
4uft NUCLEOPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap) 		5 ILE B 223
ILE B  88
LEU B  87
GLY B  75
ILE B  74
 None
 1.09A 4o1eB-4uftB:
undetectable		 4o1eB-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
 1.15A 4o1eB-4v1yA:
5.9		 4o1eB-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
 1.19A 4o1eB-4wuvA:
undetectable		 4o1eB-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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 161
LEU A 125
GLY A 203
ASN A 205
ILE A 202
 None
 1.11A 4o1eB-4ynnA:
undetectable		 4o1eB-4ynnA:
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.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 161
LEU A 125
GLY A 203
ASN A 205
ILE A 202
 None
 1.19A 4o1eB-4yo1A:
undetectable		 4o1eB-4yo1A:
25.75
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.
5bq9 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF12252
(SidE) 		5 GLU A  57
ILE A  89
LEU A  85
GLY A  67
ASN A  64
 None
 1.11A 4o1eB-5bq9A:
undetectable		 4o1eB-5bq9A:
18.68
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.
5bq9 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF12252
(SidE) 		5 ILE A  89
LEU A  85
GLY A  67
ASN A  64
ILE A  56
 None
 0.91A 4o1eB-5bq9A:
undetectable		 4o1eB-5bq9A:
18.68
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.
5btx LPG1496

(Legionella
pneumophila) 		no annotation 5 ILE A  89
LEU A  85
GLY A  67
ASN A  64
ILE A  56
 None
 0.94A 4o1eB-5btxA:
undetectable		 4o1eB-5btxA:
17.59
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.
5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE

(Corynebacterium
glutamicum) 		PF01474
(DAHP_synth_2) 		5 ILE A 317
ILE A 132
LEU A  77
GLY A 340
ILE A 372
 None
 0.91A 4o1eB-5hucA:
3.6		 4o1eB-5hucA:
19.88
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.
5hxd PROTEIN MPAA

(Escherichia
coli) 		PF00246
(Peptidase_M14) 		5 ILE A 163
ILE A 145
LEU A 141
GLY A 196
ASN A  98
 None
None
None
None
CAC  A 302 (-3.3A)
 1.15A 4o1eB-5hxdA:
undetectable		 4o1eB-5hxdA:
23.00
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.
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
 1.13A 4o1eB-5hxsA:
undetectable		 4o1eB-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.
5iwz SYNAPTONEMAL COMPLEX
PROTEIN 2

(Mus musculus) 		no annotation 5 ILE A 207
LEU A 265
GLY A 211
SER A 312
ASN A 309
 None
 0.98A 4o1eB-5iwzA:
undetectable		 4o1eB-5iwzA:
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.
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
 0.96A 4o1eB-5ksdA:
undetectable		 4o1eB-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.
5lly DIGUANYLATE CYCLASE
(GGDEF)
DOMAIN-CONTAINING
PROTEIN

(Idiomarina sp.
A28L) 		no annotation 5 ILE D 216
ILE D 167
LEU D 152
GLY D 268
ILE D 278
 None
 1.10A 4o1eB-5llyD:
undetectable		 4o1eB-5llyD:
20.53
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.
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 4o1eB-5lnqA:
undetectable		 4o1eB-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
 1.07A 4o1eB-5m3xA:
undetectable		 4o1eB-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
 1.15A 4o1eB-5mdmE:
undetectable		 4o1eB-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.
5nzg UDP-GLUCOSE
PYROPHOSPHORYLASE

(Leishmania
major) 		no annotation 5 ILE A 240
ILE A 194
LEU A  81
GLY A 357
ASN A 306
 None
None
UPG  A 601 (-3.6A)
None
UPG  A 601 (-3.7A)
 1.01A 4o1eB-5nzgA:
undetectable		 4o1eB-5nzgA:
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
 0.94A 4o1eB-5t4yD:
undetectable		 4o1eB-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
 1.07A 4o1eB-5t4yD:
undetectable		 4o1eB-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 4o1eB-5vopA:
28.0		 4o1eB-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 5 ASP A 443
LEU A 492
GLY A 570
ASN A 573
ILE A 603
 C2F  A3001 (-2.5A)
None
C2F  A3001 (-3.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.5A)
 0.89A 4o1eB-5vopA:
28.0		 4o1eB-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 6 GLU A 373
ASN A 376
ASP A 443
LEU A 492
GLY A 570
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-2.5A)
None
C2F  A3001 (-3.5A)
C2F  A3001 (-3.5A)
 0.51A 4o1eB-5vopA:
28.0		 4o1eB-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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 GLU B  30
ILE B 198
ILE A 342
LEU A 344
ILE B 542
 None
 1.12A 4o1eB-5y58B:
undetectable		 4o1eB-5y58B:
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
 0.97A 4o1eB-6ck0A:
undetectable		 4o1eB-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.
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
 1.00A 4o1eB-6eznG:
undetectable		 4o1eB-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.
6f9m SERINE PROTEASE

(Planococcus
plakortidis) 		no annotation 5 ILE A 179
ILE A 216
LEU A 292
GLY A 300
ILE A 226
 None
 1.16A 4o1eB-6f9mA:
undetectable		 4o1eB-6f9mA:
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
 1.08A 4o1eB-6fn1A:
undetectable		 4o1eB-6fn1A:
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.
6ged PRGB

(Enterococcus
faecalis) 		no annotation 5 ASN A 304
ILE A 295
LEU A 346
GLY A 403
SER A 541
 None
 1.15A 4o1eB-6gedA:
undetectable		 4o1eB-6gedA:
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.
1qvb BETA-GLYCOSIDASE

(Thermosphaera
aggregans) 		PF00232
(Glyco_hydro_1) 		4 LYS A 195
ASN A 251
ASP A 110
ASP A 120
 None
 1.14A 4o1eB-1qvbA:
2.7		 4o1eB-1qvbA:
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.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		4 LYS A 286
ASN A 317
ASP A 296
ASP A 290
 None
 1.38A 4o1eB-2bdeA:
undetectable		 4o1eB-2bdeA:
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.
2e9q 11S GLOBULIN SUBUNIT
BETA

(Cucurbita
maxima) 		PF00190
(Cupin_1) 		4 LYS A 287
ASN A 310
ASP A 297
ASP A 135
 None
 1.31A 4o1eB-2e9qA:
undetectable		 4o1eB-2e9qA:
19.78
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.
2pfz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03480
(DctP) 		4 LYS A 208
ASN A 248
ASP A 201
ASP A  80
 None
 1.49A 4o1eB-2pfzA:
0.0		 4o1eB-2pfzA:
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		4 LYS A 165
ASN A 170
ASP A 381
ASP A 166
 None
 1.47A 4o1eB-2ylzA:
undetectable		 4o1eB-2ylzA:
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 4 LYS X 200
ASN X 177
ASP X  56
ASP X 292
 None
PO4  X2322 ( 4.7A)
PO4  X2322 (-2.8A)
None
 1.44A 4o1eB-2z22X:
0.0		 4o1eB-2z22X:
21.92
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.
3dba CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA'

(Gallus gallus) 		PF01590
(GAF) 		4 LYS A 170
ASN A 116
ASP A  94
ASP A 166
 None
35G  A   1 (-3.5A)
None
None
 1.46A 4o1eB-3dbaA:
undetectable		 4o1eB-3dbaA:
18.21
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		4 LYS A 126
ASN A 109
ASP A  78
ASP A 127
 None
 1.45A 4o1eB-3f5dA:
0.2		 4o1eB-3f5dA:
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.
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae) 		PF00563
(EAL)
PF04940
(BLUF) 		4 LYS A 298
ASN A 239
ASP A 303
ASP A 320
 None
MN  A 502 ( 2.6A)
MN  A 503 ( 2.8A)
None
 1.29A 4o1eB-3gg0A:
3.7		 4o1eB-3gg0A:
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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LYS A 165
ASN A 149
ASP A 144
ASP A 198
 MG  A 374 ( 4.2A)
None
None
MG  A 374 (-2.5A)
 1.15A 4o1eB-3sjnA:
3.2		 4o1eB-3sjnA:
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.
3wa1 BINB PROTEIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		4 LYS A  57
ASN A 160
ASP A 165
ASP A  80
 None
 1.34A 4o1eB-3wa1A:
undetectable		 4o1eB-3wa1A:
21.73
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.
4bf5 ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LYS A 407
ASN A  33
ASP A  76
ASP A  47
 None
 1.11A 4o1eB-4bf5A:
8.2		 4o1eB-4bf5A:
22.94
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.
4i0n NECROTIC ENTERITIS
TOXIN B

(Clostridium
perfringens) 		PF07968
(Leukocidin) 		4 LYS A 113
ASN A 223
ASP A 215
ASP A 280
 None
 1.06A 4o1eB-4i0nA:
undetectable		 4o1eB-4i0nA:
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		4 LYS A  62
ASN A 550
ASP A  36
ASP A  25
 None
 1.46A 4o1eB-4kvlA:
undetectable		 4o1eB-4kvlA:
20.20
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) 		4 LYS A   8
ASN A  97
ASP A 161
ASP A 229
 C2F  A3000 (-2.7A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.7A)
 0.14A 4o1eB-4o1eA:
45.8		 4o1eB-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.
4pxg TYPE-2 RESTRICTION
ENZYME SAU3AI

(Staphylococcus
aureus) 		PF02976
(MutH) 		4 LYS A 386
ASN A 477
ASP A 422
ASP A 390
 None
 1.08A 4o1eB-4pxgA:
undetectable		 4o1eB-4pxgA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		4 LYS A 360
ASN A 337
ASP A 305
ASP A 364
 None
None
GLC  A 501 (-2.7A)
None
 1.43A 4o1eB-4r2bA:
undetectable		 4o1eB-4r2bA:
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.
4w7v CELLULASE

(Xanthomonas
citri) 		PF00150
(Cellulase) 		4 LYS A  18
ASN A  91
ASP A  88
ASP A  26
 None
 1.16A 4o1eB-4w7vA:
5.6		 4o1eB-4w7vA:
27.78
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 LYS C 487
ASN C 459
ASP C 436
ASP C 513
 None
 1.31A 4o1eB-4z42C:
4.9		 4o1eB-4z42C:
19.20
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.
5gp7 TANKYRASE-1

(Homo sapiens) 		PF13637
(Ank_4)
PF13857
(Ank_5) 		4 LYS A 813
ASN A 876
ASP A 867
ASP A 809
 None
 1.32A 4o1eB-5gp7A:
undetectable		 4o1eB-5gp7A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 LYS A 173
ASN A 602
ASP A 616
ASP A 129
 None
 1.49A 4o1eB-5ng6A:
undetectable		 4o1eB-5ng6A:
12.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nxk SERINE-RICH SECRETED
CELL WALL ANCHORED
(LPXTG-MOTIF )
PROTEIN

(Lactobacillus
reuteri) 		no annotation 4 LYS A 332
ASN A 299
ASP A 277
ASP A 334
 None
 1.32A 4o1eB-5nxkA:
undetectable		 4o1eB-5nxkA:
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.
6fkh ATP SYNTHASE DELTA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 LYS d 101
ASN d 163
ASP d 167
ASP d  98
 None
 1.48A 4o1eB-6fkhd:
undetectable		 4o1eB-6fkhd:
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.
6fks -

(-) 		no annotation 4 LYS A  24
ASN A  62
ASP A  78
ASP A 122
 None
 1.48A 4o1eB-6fksA:
undetectable		 4o1eB-6fksA:
undetectable