SIMILAR PATTERNS OF AMINO ACIDS FOR 4PST_A_FOLA201

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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 ALA A 275
LEU A 262
PHE A 173
LEU A 133
ILE A 146
 None
 1.09A 4pstA-1clwA:
undetectable		 4pstA-1clwA:
13.30
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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		5 ALA A 119
LEU A 163
THR A 145
ILE A 196
ILE A 151
 None
 0.98A 4pstA-1cvmA:
undetectable		 4pstA-1cvmA:
18.41
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
ILE A 100
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.48A 4pstA-1cz3A:
undetectable		 4pstA-1cz3A:
29.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.5A)
 0.73A 4pstA-1dr6A:
undetectable		 4pstA-1dr6A:
33.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  34
THR A  56
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.5A)
 0.39A 4pstA-1dr6A:
undetectable		 4pstA-1dr6A:
33.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 0.91A 4pstA-1hdiA:
undetectable		 4pstA-1hdiA:
14.57
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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 252
ILE A 267
LEU A 291
ILE A 265
TYR A 218
 None
 0.99A 4pstA-1iwaA:
undetectable		 4pstA-1iwaA:
16.70
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.
1j2q PROTEASOME ALPHA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA A  85
THR A 151
ILE A 138
LEU A 112
ILE A 116
 None
 1.11A 4pstA-1j2qA:
undetectable		 4pstA-1j2qA:
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  37
PHE A  40
LYS A  41
THR A  55
LEU A  63
ILE A 127
 None
None
None
NDP  A 194 (-3.3A)
None
None
 1.03A 4pstA-1juvA:
undetectable		 4pstA-1juvA:
27.22
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 LEU A 397
PHE A 398
ILE A 318
LEU A 314
ILE A 287
 None
 1.03A 4pstA-1kzhA:
undetectable		 4pstA-1kzhA:
15.70
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 MET A 291
LEU A  46
ILE A 815
TYR A 281
THR A 120
 None
UPL  A2014 ( 4.2A)
UPL  A2014 ( 4.6A)
None
UPL  A2014 ( 3.9A)
 0.93A 4pstA-1lshA:
undetectable		 4pstA-1lshA:
8.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1npm NEUROPSIN

(Mus musculus) 		PF00089
(Trypsin) 		5 THR A 235
ILE A 238
LEU A  53
ILE A 231
THR A 177
 None
 1.01A 4pstA-1npmA:
undetectable		 4pstA-1npmA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pxy FIMBRIN-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF00307
(CH) 		5 ALA A 587
LEU A 553
ILE A 609
LEU A 544
ILE A 601
 None
 1.10A 4pstA-1pxyA:
undetectable		 4pstA-1pxyA:
14.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.66A 4pstA-1u70A:
undetectable		 4pstA-1u70A:
33.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.59A 4pstA-1u71A:
undetectable		 4pstA-1u71A:
32.45
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		5 ALA A 145
PHE A  22
ILE A  44
LEU A  80
THR A 148
 None
None
None
None
3PG  A 401 ( 4.4A)
 0.92A 4pstA-1vpeA:
undetectable		 4pstA-1vpeA:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ysq HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YIAJ

(Escherichia
coli) 		PF01614
(IclR) 		5 ALA A  54
MET A  60
ILE A  40
ILE A  56
THR A  52
 None
PO4  A 301 (-3.6A)
None
None
None
 1.08A 4pstA-1ysqA:
undetectable		 4pstA-1ysqA:
24.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
THR A 115
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
None
 0.64A 4pstA-1zdrA:
undetectable		 4pstA-1zdrA:
40.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A  85
PHE A  82
ILE A  57
ILE A  67
THR A  90
 None
 1.01A 4pstA-1zpuA:
undetectable		 4pstA-1zpuA:
14.45
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ILE A 121
LEU A 128
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.79A 4pstA-2blbA:
undetectable		 4pstA-2blbA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.47A 4pstA-2blbA:
undetectable		 4pstA-2blbA:
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.
2eeg PDZ AND LIM DOMAIN
PROTEIN 4

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  48
LEU A  83
ILE A  56
LEU A  24
ILE A  36
 None
 1.06A 4pstA-2eegA:
undetectable		 4pstA-2eegA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f4i HYPOTHETICAL PROTEIN
TM0957

(Thermotoga
maritima) 		PF10054
(DUF2291) 		5 ALA A 137
ILE A 204
LEU A 123
ILE A  96
THR A 138
 None
MLY  A 201 ( 4.6A)
None
None
None
 0.99A 4pstA-2f4iA:
undetectable		 4pstA-2f4iA:
18.78
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.68A 4pstA-2h2qA:
undetectable		 4pstA-2h2qA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hly HYPOTHETICAL PROTEIN
ATU2299

(Agrobacterium
fabrum) 		PF09641
(DUF2026) 		5 ALA A 102
PHE A 100
ILE A   7
LEU A  45
ILE A  15
 None
 1.10A 4pstA-2hlyA:
undetectable		 4pstA-2hlyA:
18.78
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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 5 LEU A 185
PHE A 165
ILE A 102
ILE A  78
THR A 157
 None
 1.08A 4pstA-2invA:
undetectable		 4pstA-2invA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  33
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.50A 4pstA-2oipA:
undetectable		 4pstA-2oipA:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.61A 4pstA-2qk8A:
undetectable		 4pstA-2qk8A:
40.99
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 1.00A 4pstA-2rjqA:
undetectable		 4pstA-2rjqA:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
LEU A  32
PHE A  35
THR A  50
LEU A  61
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.36A 4pstA-2w3wA:
undetectable		 4pstA-2w3wA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.56A 4pstA-2w9sA:
undetectable		 4pstA-2w9sA:
38.51
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA F 307
ILE F 217
LEU F 213
ILE F 246
THR F 311
 None
 1.05A 4pstA-2xwbF:
undetectable		 4pstA-2xwbF:
12.09
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.
3ajx 3-HEXULOSE-6-PHOSPHA
TE SYNTHASE

(Mycobacterium
gastri) 		PF00215
(OMPdecase) 		5 ALA A1180
PHE A1130
LYS A1129
ILE A1028
LEU A1080
 None
 1.04A 4pstA-3ajxA:
undetectable		 4pstA-3ajxA:
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.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.92A 4pstA-3b8zA:
undetectable		 4pstA-3b8zA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3byh FIMBRIN ABD2

(Homo sapiens) 		PF00307
(CH) 		5 ALA B 587
LEU B 553
ILE B 609
LEU B 544
ILE B 601
 None
 1.10A 4pstA-3byhB:
undetectable		 4pstA-3byhB:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  66
THR A 290
ILE A 289
LEU A 111
THR A   6
 None
 1.01A 4pstA-3dfhA:
undetectable		 4pstA-3dfhA:
18.88
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  27
PHE A  30
THR A  45
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.49A 4pstA-3dfrA:
undetectable		 4pstA-3dfrA:
29.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
PHE A  58
ILE A 112
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.73A 4pstA-3dg8A:
undetectable		 4pstA-3dg8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0r C3-DEGRADING
PROTEINASE (CPPA
PROTEIN)

(Streptococcus
pneumoniae) 		PF14506
(CppA_N)
PF14507
(CppA_C) 		5 ALA A  72
LEU A 193
ILE A 150
LEU A  52
ILE A 116
 None
 1.11A 4pstA-3e0rA:
undetectable		 4pstA-3e0rA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e79 HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
hyorhinis) 		PF06646
(Mycoplasma_p37) 		5 LEU A  73
PHE A  76
LYS A  77
TYR A 384
THR A 374
 None
 1.09A 4pstA-3e79A:
undetectable		 4pstA-3e79A:
16.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqz RESPONSE REGULATOR

(Colwellia
psychrerythraea) 		PF00072
(Response_reg) 		5 LEU A 114
PHE A 117
ILE A  48
LEU A 121
ILE A 102
 LEU  A 114 ( 0.6A)
PHE  A 117 ( 1.3A)
ILE  A  48 ( 0.7A)
LEU  A 121 ( 0.6A)
ILE  A 102 ( 0.7A)
 0.96A 4pstA-3eqzA:
undetectable		 4pstA-3eqzA:
17.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  28
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.59A 4pstA-3i8aX:
undetectable		 4pstA-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LYS X  32
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.62A 4pstA-3i8aX:
undetectable		 4pstA-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		10 ALA A   8
MET A  21
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.47A 4pstA-3ia4A:
undetectable		 4pstA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		10 ALA A   8
MET A  21
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.44A 4pstA-3ia4A:
undetectable		 4pstA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ALA A  10
LEU A  31
PHE A  34
LYS A  35
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.58A 4pstA-3ix9A:
undetectable		 4pstA-3ix9A:
35.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		6 ALA A 476
LEU A 517
PHE A 474
ILE A 494
LEU A 496
ILE A 427
 None
 1.45A 4pstA-3k4xA:
undetectable		 4pstA-3k4xA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 1.11A 4pstA-3kaoA:
undetectable		 4pstA-3kaoA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.68A 4pstA-3kjrA:
undetectable		 4pstA-3kjrA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		5 ALA A  19
LEU B  37
PHE B  42
ILE A  94
LEU B 155
 None
 1.11A 4pstA-3ml0A:
undetectable		 4pstA-3ml0A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
THR A  86
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.33A 4pstA-3rg9A:
undetectable		 4pstA-3rg9A:
27.92
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  66
THR A 290
ILE A 289
LEU A 111
THR A   6
 None
 0.95A 4pstA-3s47A:
undetectable		 4pstA-3s47A:
16.92
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.
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus) 		PF01380
(SIS) 		5 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
 None
None
None
None
OCS  A 132 ( 3.7A)
 1.05A 4pstA-3shoA:
undetectable		 4pstA-3shoA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tg3 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
16

(Homo sapiens) 		PF00581
(Rhodanese) 		5 ALA A  73
LEU A  27
ILE A  65
LEU A 111
ILE A  48
 None
 1.03A 4pstA-3tg3A:
undetectable		 4pstA-3tg3A:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.28A 4pstA-3tq9A:
undetectable		 4pstA-3tq9A:
43.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 LEU A  29
PHE A  32
LYS A  33
ILE A  51
LEU A  55
ILE A  41
 MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
 1.34A 4pstA-3tq9A:
undetectable		 4pstA-3tq9A:
43.98
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 MET A 170
LYS A 310
ILE A 285
ILE A 288
THR A 364
 None
 1.04A 4pstA-3uj2A:
undetectable		 4pstA-3uj2A:
16.89
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.35A 4pstA-3um6A:
undetectable		 4pstA-3um6A:
13.23
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 THR A 108
ILE A 112
LEU A 119
ILE A 164
THR A 185
 NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.87A 4pstA-3um6A:
undetectable		 4pstA-3um6A:
13.23
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
LYS A  33
THR A  53
ILE A  57
ILE A 111
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.94A 4pstA-3vcoA:
undetectable		 4pstA-3vcoA:
29.35
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.71A 4pstA-3vcoA:
undetectable		 4pstA-3vcoA:
29.35
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.
3zjc GTPASE IMAP FAMILY
MEMBER 7

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 101
PHE A 131
ILE A 146
LEU A 153
ILE A 129
 None
 1.08A 4pstA-3zjcA:
undetectable		 4pstA-3zjcA:
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.
3zxy SUBTILISIN-LIKE
PROTEIN

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 150
THR A 124
LEU A 133
TYR A 190
THR A 221
 None
 1.09A 4pstA-3zxyA:
undetectable		 4pstA-3zxyA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 5 ALA A 610
THR A 423
ILE A 425
LEU A 593
ILE A 607
 None
 1.05A 4pstA-4btpA:
undetectable		 4pstA-4btpA:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		6 ALA A 204
LEU A 245
THR A 226
ILE A 263
LEU A 314
ILE A 219
 None
 1.24A 4pstA-4c2fA:
undetectable		 4pstA-4c2fA:
16.89
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.
4cuk D-LACTATE
DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 147
LEU A 194
LEU A 215
ILE A 229
THR A 146
 None
 1.01A 4pstA-4cukA:
undetectable		 4pstA-4cukA:
17.72
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 ALA A  85
LEU A  82
ILE A  92
LEU A 117
ILE A 128
 None
 0.98A 4pstA-4fmzA:
undetectable		 4pstA-4fmzA:
15.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.59A 4pstA-4g8zX:
undetectable		 4pstA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		10 ALA A  11
MET A  25
PHE A  36
LYS A  37
THR A  58
ILE A  62
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.83A 4pstA-4h96A:
undetectable		 4pstA-4h96A:
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.48A 4pstA-4h98A:
undetectable		 4pstA-4h98A:
27.23
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  64
THR A 288
ILE A 287
LEU A 109
THR A   4
 None
 0.94A 4pstA-4hnlA:
undetectable		 4pstA-4hnlA:
15.60
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF00989
(PAS) 		5 ALA C 232
LEU C 252
PHE C 275
LEU C 258
ILE C 286
 None
 1.07A 4pstA-4lryC:
undetectable		 4pstA-4lryC:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 145
LEU A 105
LEU A  59
ILE A 133
THR A 144
 None
 1.00A 4pstA-4ls9A:
undetectable		 4pstA-4ls9A:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ALA A   7
PHE A  31
THR A  46
LEU A  57
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.30A 4pstA-4m2xA:
undetectable		 4pstA-4m2xA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  28
PHE A  31
THR A  46
LEU A  55
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.64A 4pstA-4m7vA:
undetectable		 4pstA-4m7vA:
37.71
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.
4mdy PERIPLASMIC BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01497
(Peripla_BP_2) 		6 TRP A 156
PHE A 222
THR A 255
ILE A 253
LEU A 308
ILE A 293
 None
 1.47A 4pstA-4mdyA:
undetectable		 4pstA-4mdyA:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ALA A   6
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
 NAP  A 202 ( 4.2A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
 1.45A 4pstA-4p68A:
undetectable		 4pstA-4p68A:
98.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		10 ALA A   7
MET A  20
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
None
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.46A 4pstA-4p68A:
undetectable		 4pstA-4p68A:
98.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ALA A 221
THR A   8
ILE A   9
LEU A 236
THR A 218
 None
 1.04A 4pstA-4twiA:
undetectable		 4pstA-4twiA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 752
LEU A 816
THR A 730
ILE A 731
ILE A 758
 None
 1.02A 4pstA-4uvjA:
undetectable		 4pstA-4uvjA:
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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		5 LEU B 273
THR B 258
ILE B 262
LEU B 323
ILE B 281
 None
 1.10A 4pstA-4ydoB:
undetectable		 4pstA-4ydoB:
12.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   6
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
 1.41A 4pstA-5dxvA:
undetectable		 4pstA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		9 ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.41A 4pstA-5dxvA:
undetectable		 4pstA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		9 LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.69A 4pstA-5dxvA:
undetectable		 4pstA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.80A 4pstA-5ecxA:
undetectable		 4pstA-5ecxA:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.62A 4pstA-5fdaA:
undetectable		 4pstA-5fdaA:
80.62
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 413
PHE A 387
ILE A 406
LEU A 401
ILE A 357
 None
 1.08A 4pstA-5hdhA:
undetectable		 4pstA-5hdhA:
11.07
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.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA B  80
LEU B  72
ILE B  85
LEU B  93
ILE B 106
 None
 1.00A 4pstA-5hzlB:
undetectable		 4pstA-5hzlB:
19.67
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 141
ILE A 158
LEU A  55
ILE A 129
THR A 140
 None
 1.04A 4pstA-5jjuA:
undetectable		 4pstA-5jjuA:
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 141
LEU A 101
LEU A  55
ILE A 129
THR A 140
 None
 0.99A 4pstA-5jjuA:
undetectable		 4pstA-5jjuA:
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.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT

(Homo sapiens) 		no annotation 5 LEU A 731
PHE A 734
ILE A 767
LEU A 738
ILE A 789
 None
 1.06A 4pstA-5nprA:
undetectable		 4pstA-5nprA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
PHE A  35
THR A  83
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.30A 4pstA-5t0lA:
undetectable		 4pstA-5t0lA:
13.77
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.
5ubv ATPASE DOMAIN OF
I-AAA PROTEASE

(Thermothelomyces
thermophila) 		no annotation 5 LEU A  90
PHE A  91
ILE A 104
LEU A 129
ILE A 144
 None
 1.10A 4pstA-5ubvA:
undetectable		 4pstA-5ubvA:
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.
5udf LIPOPROTEIN-RELEASIN
G SYSTEM
TRANSMEMBRANE
PROTEIN LOLE

(Acinetobacter
baumannii) 		PF12704
(MacB_PCD) 		5 ALA A 225
LEU A 184
ILE A 127
LEU A 118
ILE A 162
 None
 1.05A 4pstA-5udfA:
undetectable		 4pstA-5udfA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5win -

(-) 		no annotation 5 MET A 661
TRP A 718
ILE A 670
LEU A 730
THR A 742
 None
 1.04A 4pstA-5winA:
undetectable		 4pstA-5winA:
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 5 LEU A 193
THR A 114
ILE A 129
LEU A 236
ILE A 240
 None
 1.05A 4pstA-5x9wA:
undetectable		 4pstA-5x9wA:
11.45
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.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 5 ALA A 184
PHE A 157
ILE A 165
ILE A 139
THR A 181
 None
 1.04A 4pstA-6ctyA:
undetectable		 4pstA-6ctyA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.48A 4pstA-6cxmA:
undetectable		 4pstA-6cxmA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
THR A 111
 MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.76A 4pstA-6cxmA:
undetectable		 4pstA-6cxmA:
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.45A 4pstA-6e4eA:
undetectable		 4pstA-6e4eA:
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.
1b5f PROTEIN (CARDOSIN A)
PROTEIN (CARDOSIN A)

(Cynara
cardunculus;
Cynara
cardunculus) 		PF00026
(Asp)
PF00026
(Asp) 		3 ILE A  30
ASP B 303
ARG A 115
 None
 0.62A 4pstA-1b5fA:
undetectable		 4pstA-1b5fA:
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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		3 ILE A 303
ASP A 278
ARG A 419
 None
 0.62A 4pstA-1cygA:
undetectable		 4pstA-1cygA:
12.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		3 ILE A  17
ASP A 226
ARG A 187
 None
 0.84A 4pstA-1eufA:
undetectable		 4pstA-1eufA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kr1 HEVAMINE A

(Hevea
brasiliensis) 		PF00704
(Glyco_hydro_18) 		3 ILE A  64
ASP A 120
ARG A 112
 None
 0.80A 4pstA-1kr1A:
undetectable		 4pstA-1kr1A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1otw COENZYME PQQ
SYNTHESIS PROTEIN C

(Klebsiella
pneumoniae) 		PF03070
(TENA_THI-4) 		3 ILE A  57
ASP A 186
ARG A  50
 PQQ  A 500 ( 4.1A)
None
PQQ  A 500 (-2.5A)
 0.79A 4pstA-1otwA:
undetectable		 4pstA-1otwA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 ILE A 231
ASP A 228
ARG A 277
 None
 0.83A 4pstA-1pguA:
undetectable		 4pstA-1pguA:
13.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 ILE A  41
ASP A  46
ARG A  11
 HDF  A5486 (-3.9A)
None
HDF  A5486 ( 4.9A)
 0.81A 4pstA-1tezA:
undetectable		 4pstA-1tezA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 ILE A 225
ASP A 387
ARG A 254
 None
 0.76A 4pstA-1tuoA:
undetectable		 4pstA-1tuoA:
15.90
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		3 ILE A 468
ASP A 170
ARG A 504
 EUG  A1562 (-4.0A)
FAD  A1561 ( 3.6A)
FAD  A1561 ( 3.4A)
 0.80A 4pstA-1w1kA:
undetectable		 4pstA-1w1kA:
14.46
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.
1whz HYPOTHETICAL PROTEIN

(Thermus
thermophilus) 		PF07927
(HicA_toxin) 		3 ILE A  38
ASP A  35
ARG A  22
 None
 0.67A 4pstA-1whzA:
undetectable		 4pstA-1whzA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 ILE A 297
ASP A 290
ARG A 401
 None
 0.80A 4pstA-1xfdA:
undetectable		 4pstA-1xfdA:
11.07
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.
1z7d ORNITHINE
AMINOTRANSFERASE

(Plasmodium
yoelii) 		PF00202
(Aminotran_3) 		3 ILE A 132
ASP A 190
ARG A 123
 None
 0.67A 4pstA-1z7dA:
undetectable		 4pstA-1z7dA:
15.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		3 ILE A   5
ASP A  27
ARG A  57
 None
None
SO4  A3484 (-3.3A)
 0.45A 4pstA-1zdrA:
undetectable		 4pstA-1zdrA:
40.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a00 POTASSIUM-TRANSPORTI
NG ATPASE B CHAIN

(Escherichia
coli) 		no annotation 3 ILE A 393
ASP A 335
ARG A 438
 None
 0.73A 4pstA-2a00A:
undetectable		 4pstA-2a00A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b8n GLYCERATE KINASE,
PUTATIVE

(Thermotoga
maritima) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		3 ILE A 335
ASP A 378
ARG A 281
 None
 0.60A 4pstA-2b8nA:
undetectable		 4pstA-2b8nA:
14.92
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.
2bi3 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
alcalophilus) 		PF00266
(Aminotran_5) 		3 ILE A 177
ASP A 172
ARG A 180
 None
PLP  A1361 (-2.9A)
None
 0.77A 4pstA-2bi3A:
undetectable		 4pstA-2bi3A:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		3 ILE A  13
ASP A  53
ARG A 131
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
 0.28A 4pstA-2blbA:
undetectable		 4pstA-2blbA:
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.
2cfo GLUTAMYL-TRNA
SYNTHETASE

(Synechococcus
elongatus) 		PF00749
(tRNA-synt_1c) 		3 ILE A 209
ASP A 159
ARG A  21
 None
 0.84A 4pstA-2cfoA:
undetectable		 4pstA-2cfoA:
16.10
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.
2cvo PUTATIVE
SEMIALDEHYDE
DEHYDROGENASE

(Oryza sativa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ILE A 154
ASP A 106
ARG A 188
 None
 0.79A 4pstA-2cvoA:
undetectable		 4pstA-2cvoA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dt8 DEGV FAMILY PROTEIN

(Thermus
thermophilus) 		PF02645
(DegV) 		3 ILE A 264
ASP A  39
ARG A 170
 PLM  A 701 ( 4.5A)
None
PLM  A 701 (-4.1A)
 0.83A 4pstA-2dt8A:
undetectable		 4pstA-2dt8A:
18.52
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.
2fbo VARIABLE
REGION-CONTAINING
CHITIN-BINDING
PROTEIN 3

(Branchiostoma
floridae) 		PF07686
(V-set) 		3 ILE J 116
ASP J  33
ARG J 229
 None
 0.84A 4pstA-2fboJ:
undetectable		 4pstA-2fboJ:
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.
2g4r MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
tuberculosis) 		PF00994
(MoCF_biosynth) 		3 ILE A  28
ASP A  22
ARG A 136
 None
 0.83A 4pstA-2g4rA:
undetectable		 4pstA-2g4rA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7z CONSERVED
HYPOTHETICAL PROTEIN
SPY1493

(Streptococcus
pyogenes) 		PF02645
(DegV) 		3 ILE A 263
ASP A  40
ARG A 172
 HXA  A9136 (-4.2A)
None
TRS  A5081 ( 3.6A)
 0.75A 4pstA-2g7zA:
undetectable		 4pstA-2g7zA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsj PROTEIN PPL-2

(Parkia
platycephala) 		PF00704
(Glyco_hydro_18) 		3 ILE A  64
ASP A 120
ARG A 112
 None
 0.81A 4pstA-2gsjA:
undetectable		 4pstA-2gsjA:
18.22
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.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		3 ILE A 266
ASP A 260
ARG A 273
 None
 0.79A 4pstA-2hxvA:
undetectable		 4pstA-2hxvA:
17.32
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHL

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox) 		3 ILE C 163
ASP C 223
ARG C  88
 None
 0.70A 4pstA-2inpC:
undetectable		 4pstA-2inpC:
17.82
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.
2is8 MOLYBDOPTERIN
BIOSYNTHESIS ENZYME,
MOAB

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth) 		3 ILE A  26
ASP A  20
ARG A 136
 None
FMT  A1003 (-3.7A)
None
 0.84A 4pstA-2is8A:
undetectable		 4pstA-2is8A:
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.
2j3w ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		3 ILE B  85
ASP B 182
ARG B  78
 None
 0.82A 4pstA-2j3wB:
undetectable		 4pstA-2j3wB:
20.39
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.
2p5x N-ACETYLSEROTONIN
O-METHYLTRANSFERASE-
LIKE PROTEIN

(Homo sapiens) 		PF02545
(Maf) 		3 ILE A  27
ASP A 192
ARG A  23
 None
 0.79A 4pstA-2p5xA:
undetectable		 4pstA-2p5xA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		3 ILE A   4
ASP A 334
ARG A 342
 None
 0.84A 4pstA-2qtyA:
undetectable		 4pstA-2qtyA:
16.96
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		3 ILE A 880
ASP A1033
ARG A 999
 None
 0.84A 4pstA-2vz9A:
undetectable		 4pstA-2vz9A:
5.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		3 ILE A   5
ASP A  27
ARG A  57
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
 0.43A 4pstA-2w9sA:
undetectable		 4pstA-2w9sA:
38.51
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.
2yyl 4-HYDROXYPHENYLACETA
TE-3-HYDROXYLASE

(Thermus
thermophilus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		3 ILE A   9
ASP A  28
ARG A  40
 None
 0.59A 4pstA-2yylA:
undetectable		 4pstA-2yylA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zdj HYPOTHETICAL PROTEIN
TTMA177

(unidentified) 		no annotation 3 ILE A  30
ASP A  47
ARG A  67
 None
 0.70A 4pstA-2zdjA:
undetectable		 4pstA-2zdjA:
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		3 ILE A 250
ASP A 299
ARG A 192
 None
 0.77A 4pstA-3a1nA:
undetectable		 4pstA-3a1nA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		3 ILE B 268
ASP B 115
ARG B 155
 None
 0.67A 4pstA-3adaB:
undetectable		 4pstA-3adaB:
16.67
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermotoga
maritima) 		PF01425
(Amidase) 		3 ILE A 413
ASP A 161
ARG A 367
 None
 0.55A 4pstA-3al0A:
undetectable		 4pstA-3al0A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT
C,LINKER,GLUTAMATE--
TRNA LIGASE 2

(Thermotoga
maritima;
Thermotoga
maritima;
synthetic
construct) 		PF01425
(Amidase)
PF00749
(tRNA-synt_1c)
PF02686
(Glu-tRNAGln) 		3 ILE C  35
ASP A 401
ARG A 343
 None
 0.78A 4pstA-3al0C:
undetectable		 4pstA-3al0C:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3asm RIBONUCLEASE HIII

(Geobacillus
stearothermophilus) 		PF01351
(RNase_HII)
PF11858
(DUF3378) 		3 ILE A 221
ASP A 189
ARG A 224
 None
 0.84A 4pstA-3asmA:
undetectable		 4pstA-3asmA:
20.71
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		3 ILE A 308
ASP A 283
ARG A 423
 None
 0.63A 4pstA-3bmwA:
undetectable		 4pstA-3bmwA:
12.01
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.
3bwx ALPHA/BETA HYDROLASE

(Novosphingobium
aromaticivorans) 		PF12697
(Abhydrolase_6) 		3 ILE A 141
ASP A 238
ARG A  39
 None
 0.71A 4pstA-3bwxA:
undetectable		 4pstA-3bwxA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6r NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		no annotation 3 ILE B 123
ASP B 153
ARG B 220
 None
 0.70A 4pstA-3d6rB:
undetectable		 4pstA-3d6rB:
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		3 ILE A  14
ASP A  54
ARG A 122
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.0A)
None
 0.23A 4pstA-3dg8A:
undetectable		 4pstA-3dg8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 ILE B 157
ASP B  39
ARG B  86
 None
 0.84A 4pstA-3h0gB:
undetectable		 4pstA-3h0gB:
8.88
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		3 ILE A 397
ASP A 394
ARG A 628
 None
 0.79A 4pstA-3h7nA:
undetectable		 4pstA-3h7nA:
11.45
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.
3h96 F420-H2 DEPENDENT
REDUCTASE A

(Mycolicibacterium
smegmatis) 		PF04075
(F420H2_quin_red) 		3 ILE A 110
ASP A  56
ARG A 117
 None
 0.79A 4pstA-3h96A:
undetectable		 4pstA-3h96A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		3 ILE A 384
ASP A 173
ARG A 377
 None
 0.69A 4pstA-3hutA:
undetectable		 4pstA-3hutA:
18.23
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.
3jb4 VP0

(Parechovirus B) 		PF00073
(Rhv) 		3 ILE B 256
ASP B 209
ARG B 248
 None
 0.62A 4pstA-3jb4B:
undetectable		 4pstA-3jb4B:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 3 ILE K 669
ASP K 615
ARG K 619
 None
 0.72A 4pstA-3jblK:
undetectable		 4pstA-3jblK:
9.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		3 ILE A  79
ASP A 100
ARG A  32
 None
 0.84A 4pstA-3k96A:
undetectable		 4pstA-3k96A:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lg0 ORNITHINE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00202
(Aminotran_3) 		3 ILE A 133
ASP A 191
ARG A 124
 None
 0.75A 4pstA-3lg0A:
undetectable		 4pstA-3lg0A:
15.40
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.
3maj DNA PROCESSING CHAIN
A

(Rhodopseudomonas
palustris) 		PF02481
(DNA_processg_A) 		3 ILE A 302
ASP A 327
ARG A 261
 None
 0.83A 4pstA-3majA:
undetectable		 4pstA-3majA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qq8 TRANSITIONAL
ENDOPLASMIC
RETICULUM ATPASE

(Homo sapiens) 		PF02359
(CDC48_N)
PF02933
(CDC48_2) 		3 ILE A  70
ASP A  35
ARG A  53
 None
 0.81A 4pstA-3qq8A:
undetectable		 4pstA-3qq8A:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE

(Klebsiella
pneumoniae) 		PF05035
(DGOK) 		3 ILE A   6
ASP A  56
ARG A  29
 None
 0.50A 4pstA-3r1xA:
undetectable		 4pstA-3r1xA:
19.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		3 ILE A   6
ASP A  28
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-2.8A)
 0.29A 4pstA-3tq9A:
undetectable		 4pstA-3tq9A:
43.98
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		3 ILE A  14
ASP A  54
ARG A 122
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
 0.25A 4pstA-3um6A:
undetectable		 4pstA-3um6A:
13.23
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.
4a1f REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF03796
(DnaB_C) 		3 ILE A 334
ASP A 374
ARG A 289
 None
 0.64A 4pstA-4a1fA:
undetectable		 4pstA-4a1fA:
15.88
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		3 ILE A 204
ASP A 239
ARG A 387
 None
 0.69A 4pstA-4ainA:
undetectable		 4pstA-4ainA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		3 ILE A  52
ASP A  11
ARG A  44
 None
 0.83A 4pstA-4b3iA:
undetectable		 4pstA-4b3iA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		3 ILE A 307
ASP A 282
ARG A 423
 None
 0.66A 4pstA-4cgtA:
undetectable		 4pstA-4cgtA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ft6 PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		3 ILE A 380
ASP A 344
ARG A 124
 None
 0.78A 4pstA-4ft6A:
undetectable		 4pstA-4ft6A:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6z GLUTAMATE-TRNA
LIGASE

(Burkholderia
thailandensis) 		PF00749
(tRNA-synt_1c) 		3 ILE A 204
ASP A 160
ARG A  23
 None
 0.84A 4pstA-4g6zA:
undetectable		 4pstA-4g6zA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k7k CATION EFFLUX SYSTEM
PROTEIN CUSC

(Escherichia
coli) 		PF02321
(OEP) 		3 ILE A 353
ASP A 265
ARG A 284
 None
 0.72A 4pstA-4k7kA:
undetectable		 4pstA-4k7kA:
17.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		3 ILE A   5
ASP A  27
ARG A  60
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 2.7A)
None
 0.33A 4pstA-4m2xA:
undetectable		 4pstA-4m2xA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		3 ILE A   5
ASP A  27
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 (-2.6A)
RAR  A 200 ( 3.2A)
 0.56A 4pstA-4m7vA:
undetectable		 4pstA-4m7vA:
37.71
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.
4ns4 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Psychrobacter
cryohalolentis) 		PF00561
(Abhydrolase_1) 		3 ILE A 121
ASP A 214
ARG A  96
 None
 0.67A 4pstA-4ns4A:
undetectable		 4pstA-4ns4A:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		3 ILE A   5
ASP A  27
ARG A  57
 MTX  A 201 (-4.1A)
MTX  A 201 (-3.0A)
MTX  A 201 (-3.0A)
 0.24A 4pstA-4p68A:
undetectable		 4pstA-4p68A:
98.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		3 ILE A 432
ASP A 366
ARG A 144
 None
 0.83A 4pstA-4rasA:
undetectable		 4pstA-4rasA:
13.35
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		3 ILE A  64
ASP A 120
ARG A 112
 None
 0.76A 4pstA-4toqA:
undetectable		 4pstA-4toqA:
20.70
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		3 ILE A  72
ASP A 101
ARG A 121
 FAD  A 701 (-4.8A)
None
FAD  A 701 (-4.1A)
 0.84A 4pstA-4uirA:
undetectable		 4pstA-4uirA:
12.23
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		3 ILE A 140
ASP A 201
ARG A 146
 None
 0.71A 4pstA-4wcjA:
undetectable		 4pstA-4wcjA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		3 ILE A 427
ASP A 172
ARG A 380
 None
 0.52A 4pstA-4wj3A:
undetectable		 4pstA-4wj3A:
15.87
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.
4x9x DEGV
DOMAIN-CONTAINING
PROTEIN MW1315

(Staphylococcus
aureus) 		PF02645
(DegV) 		3 ILE A 118
ASP A   9
ARG A 170
 OLA  A 301 (-3.7A)
None
OLA  A 301 (-3.3A)
 0.79A 4pstA-4x9xA:
undetectable		 4pstA-4x9xA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhj ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		3 ILE A 743
ASP A 582
ARG A 733
 None
 0.72A 4pstA-4xhjA:
undetectable		 4pstA-4xhjA:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ILE A 133
ASP A 297
ARG A  82
 None
 0.81A 4pstA-4z6kA:
undetectable		 4pstA-4z6kA:
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.
4z9c PERTUSSIS TOXIN-LIKE
SUBUNIT ARTA

(Escherichia
coli) 		PF02917
(Pertussis_S1) 		3 ILE A  18
ASP A 201
ARG A   9
 None
 0.62A 4pstA-4z9cA:
undetectable		 4pstA-4z9cA:
21.28
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.
5aar POTASSIUM CHANNEL
AKT1

(Arabidopsis
thaliana) 		PF12796
(Ank_2) 		3 ILE A 557
ASP A 548
ARG A 528
 None
 0.73A 4pstA-5aarA:
undetectable		 4pstA-5aarA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 3 ILE A 730
ASP A 833
ARG A 799
 None
 0.80A 4pstA-5b7iA:
undetectable		 4pstA-5b7iA:
8.92
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		3 ILE A 613
ASP A 657
ARG A 582
 None
 0.80A 4pstA-5bptA:
undetectable		 4pstA-5bptA:
13.45
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 ILE A  39
ASP A  45
ARG A 136
 None
 0.78A 4pstA-5by7A:
undetectable		 4pstA-5by7A:
18.78
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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 3 ILE A  78
ASP A  54
ARG A 133
 None
 0.78A 4pstA-5czcA:
undetectable		 4pstA-5czcA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		3 ILE A   7
ASP A  11
ARG A 188
 None
None
5VV  A   1 ( 3.6A)
 0.83A 4pstA-5fbzA:
undetectable		 4pstA-5fbzA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h4e BETA 1-3 GLUCANASE

(Clostridium
beijerinckii) 		no annotation 3 ILE A 325
ASP A 347
ARG A 314
 None
 0.83A 4pstA-5h4eA:
undetectable		 4pstA-5h4eA:
15.57
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.
5ife PHD FINGER-LIKE
DOMAIN-CONTAINING
PROTEIN 5A

(Homo sapiens) 		PF03660
(PHF5) 		3 ILE D  88
ASP D  34
ARG D  12
 None
 0.70A 4pstA-5ifeD:
undetectable		 4pstA-5ifeD:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jk0 TYROSINE RECOMBINASE
XERH

(Helicobacter
pylori) 		PF00589
(Phage_integrase) 		3 ILE A 204
ASP A 188
ARG A 294
 None
 0.79A 4pstA-5jk0A:
undetectable		 4pstA-5jk0A:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjv CAPSID SUBUNIT VP0

(Parechovirus A) 		PF00073
(Rhv) 		3 ILE C 286
ASP C 239
ARG C 278
 None
 0.74A 4pstA-5mjvC:
undetectable		 4pstA-5mjvC:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2s DARPIN K27

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		3 ILE B 162
ASP B 153
ARG B 133
 None
 0.55A 4pstA-5o2sB:
undetectable		 4pstA-5o2sB:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ocr KAPPA-CARRAGEENASE

(Zobellia
galactanivorans) 		no annotation 3 ILE A 292
ASP A 131
ARG A  94
 None
 0.83A 4pstA-5ocrA:
undetectable		 4pstA-5ocrA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		3 ILE A 470
ASP A 473
ARG A 454
 None
 0.83A 4pstA-5tj3A:
undetectable		 4pstA-5tj3A:
13.73
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		3 ILE A 109
ASP A 183
ARG A  80
 None
 0.63A 4pstA-5u22A:
undetectable		 4pstA-5u22A:
15.73
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.
5wyp DNA POLYMERASE III
SUBUNIT BETA

(Caulobacter
vibrioides) 		no annotation 3 ILE A  53
ASP A  48
ARG A 211
 None
 0.74A 4pstA-5wypA:
undetectable		 4pstA-5wypA:
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.
5xxu RIBOSOMAL PROTEIN
ES6

(Toxoplasma
gondii) 		PF01092
(Ribosomal_S6e) 		3 ILE G 173
ASP G 152
ARG G 159
 A  2  77 ( 4.5A)
None
U  2  76 ( 3.4A)
 0.82A 4pstA-5xxuG:
undetectable		 4pstA-5xxuG:
21.33
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.
5zya PHD FINGER-LIKE
DOMAIN-CONTAINING
PROTEIN 5A

(Homo sapiens) 		no annotation 3 ILE D  88
ASP D  34
ARG D  12
 None
 0.69A 4pstA-5zyaD:
undetectable		 4pstA-5zyaD:
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.
6ay1 NUCLEOSIDE
DIPHOSPHATE KINASE

(Helicobacter
pylori) 		PF00334
(NDK) 		3 ILE A   9
ASP A  12
ARG A  38
 None
 0.81A 4pstA-6ay1A:
undetectable		 4pstA-6ay1A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b1z GLUTAMATE--TRNA
LIGASE

(Elizabethkingia
anophelis) 		PF00749
(tRNA-synt_1c) 		3 ILE A 219
ASP A 175
ARG A  22
 None
None
EDO  A 617 ( 3.7A)
 0.77A 4pstA-6b1zA:
undetectable		 4pstA-6b1zA:
13.89
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT C

(Flavobacterium
johnsoniae) 		no annotation 3 ILE C  80
ASP C 164
ARG C 387
 None
 0.71A 4pstA-6btmC:
undetectable		 4pstA-6btmC:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 3 ILE A   6
ASP A  28
ARG A  61
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
 0.36A 4pstA-6cxmA:
undetectable		 4pstA-6cxmA:
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.
6ewz GTP
PYROPHOSPHOKINASE

(Staphylococcus
aureus) 		no annotation 3 ILE A 121
ASP A 141
ARG A 178
 None
None
GTP  A 301 ( 4.7A)
 0.81A 4pstA-6ewzA:
undetectable		 4pstA-6ewzA:
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 3 ILE C  86
ASP C 169
ARG C 395
 None
 0.85A 4pstA-6f0kC:
undetectable		 4pstA-6f0kC:
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.
6f2t -

(-) 		no annotation 3 ILE A 411
ASP A 457
ARG A 409
 None
 0.77A 4pstA-6f2tA:
undetectable		 4pstA-6f2tA:
undetectable