SIMILAR PATTERNS OF AMINO ACIDS FOR 4PTH_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.
1cz3 DIHYDROFOLATE
REDUCTASE


(Thermotoga
maritima)
PF00186
(DHFR_1)
7 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
ILE A 100
THR A 121
None
SO4  A 200 (-3.7A)
None
None
None
None
None
0.40A 4pthA-1cz3A:
20.1
4pthA-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)
8 ILE A   7
ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
0.65A 4pthA-1dr6A:
20.9
4pthA-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.
1geu GLUTATHIONE
REDUCTASE


(Escherichia
coli)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 ILE A 135
ALA A   9
ILE A 285
LEU A 272
ILE A 298
None
1.03A 4pthA-1geuA:
undetectable
4pthA-1geuA:
17.33
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.
1i1g TRANSCRIPTIONAL
REGULATOR LRPA


(Pyrococcus
furiosus)
PF01037
(AsnC_trans_reg)
PF13412
(HTH_24)
5 ILE A 125
ALA A  81
THR A  68
ILE A 106
ILE A 122
None
1.04A 4pthA-1i1gA:
undetectable
4pthA-1i1gA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4pthA-1iwaA:
undetectable
4pthA-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 4pthA-1j2qA:
undetectable
4pthA-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.
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)
0.97A 4pthA-1lshA:
undetectable
4pthA-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
1.04A 4pthA-1npmA:
undetectable
4pthA-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.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A)
PF00680
(RdRP_1)
5 ILE A 304
ALA A 324
ILE A 242
LEU A 351
ILE A 303
None
1.11A 4pthA-1tp7A:
undetectable
4pthA-1tp7A:
16.96
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)
8 ILE A   7
ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
0.56A 4pthA-1u70A:
20.0
4pthA-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)
8 ILE A   7
ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
None
MXA  A 187 (-4.3A)
0.51A 4pthA-1u71A:
20.7
4pthA-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.
1urj MAJOR DNA-BINDING
PROTEIN


(Human
alphaherpesvirus
1)
PF00747
(Viral_DNA_bp)
5 ILE A 607
THR A 864
ILE A 868
LEU A 819
ILE A 826
None
0.89A 4pthA-1urjA:
undetectable
4pthA-1urjA:
8.70
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 ILE A   5
ALA A   7
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
None
None
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
0.64A 4pthA-1zdrA:
25.1
4pthA-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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1


(Homo sapiens)
PF00330
(Aconitase)
PF00694
(Aconitase_C)
5 ILE A 558
ALA A 432
ILE A 568
LEU A 575
THR A 469
None
1.07A 4pthA-2b3xA:
undetectable
4pthA-2b3xA:
11.41
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.
2bkr SENTRIN-SPECIFIC
PROTEASE 8


(Homo sapiens)
PF02902
(Peptidase_C48)
5 ILE A  32
ILE A 206
LEU A  13
ILE A  31
THR A 171
None
1.09A 4pthA-2bkrA:
undetectable
4pthA-2bkrA:
18.98
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
vivax)
PF00186
(DHFR_1)
8 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
0.71A 4pthA-2blbA:
20.4
4pthA-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.
2bzu FIBER PROTEIN 2

(Human
mastadenovirus
F)
PF00541
(Adeno_knob)
5 ILE A 267
LYS A 365
ILE A 244
LEU A 284
ILE A 269
None
0.77A 4pthA-2bzuA:
undetectable
4pthA-2bzuA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.97A 4pthA-2f4iA:
undetectable
4pthA-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.
2gtr CHROMODOMAIN Y-LIKE
PROTEIN


(Homo sapiens)
PF00378
(ECH_1)
5 ILE A   7
ILE A 104
LEU A  42
ILE A  18
THR A  22
None
1.05A 4pthA-2gtrA:
undetectable
4pthA-2gtrA:
18.01
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
cruzi)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
8 ALA A  28
THR A  80
ILE A  84
LEU A  91
ARG A  94
ILE A 154
TYR A 160
THR A 178
NAP  A 523 (-3.7A)
NAP  A 523 (-3.5A)
None
None
None
None
None
None
0.63A 4pthA-2h2qA:
19.7
4pthA-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.
2lv5 UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF10052
(DUF2288)
5 ALA A  49
TRP A  95
ILE A  22
LEU A  27
ILE A  98
None
0.97A 4pthA-2lv5A:
undetectable
4pthA-2lv5A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR


(Cryptosporidium
hominis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
7 ALA A  11
THR A  58
ILE A  62
LEU A  67
ARG A  70
TYR A 119
THR A 134
MTX  A 605 ( 3.6A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
0.59A 4pthA-2oipA:
21.4
4pthA-2oipA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae)
PF01872
(RibD_C)
5 ILE A  38
THR A  81
ARG A  69
TYR A 199
THR A 214
EDO  A 278 (-4.7A)
EDO  A 284 ( 3.5A)
EDO  A 275 (-2.8A)
EDO  A 280 (-4.3A)
None
1.05A 4pthA-2p4gA:
15.5
4pthA-2p4gA:
21.59
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
LYS A  33
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
0.67A 4pthA-2qk8A:
25.4
4pthA-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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae)
PF04097
(Nic96)
5 ILE A 723
ILE A 767
LEU A 716
ILE A 720
THR A 778
None
1.09A 4pthA-2rfoA:
undetectable
4pthA-2rfoA:
13.23
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)
7 ALA A  11
THR A  50
LEU A  61
ARG A  64
ILE A 102
TYR A 108
THR A 121
VG9  A1168 ( 3.8A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
0.48A 4pthA-2w3wA:
24.8
4pthA-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)
9 ILE A   5
ALA A   7
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
0.56A 4pthA-2w9sA:
25.8
4pthA-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.
2x24 ACETYL-COA
CARBOXYLASE


(Bos taurus)
PF01039
(Carboxyl_trans)
5 ILE A 147
ILE A 253
LEU A 335
ARG A 111
ILE A 113
None
1.07A 4pthA-2x24A:
undetectable
4pthA-2x24A:
11.71
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT


(Corynebacterium
sp. U-96)
PF01266
(DAO)
5 ILE B 338
THR B 331
ILE B 242
LEU B 240
ILE B 337
None
1.08A 4pthA-3adaB:
undetectable
4pthA-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.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE


(Plasmodium
falciparum)
PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C)
5 ILE A 228
THR A 190
ILE A 194
LEU A 219
ILE A 227
None
1.01A 4pthA-3au9A:
undetectable
4pthA-3au9A:
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.
3c3k ALANINE RACEMASE

(Actinobacillus
succinogenes)
PF13377
(Peripla_BP_3)
5 ILE A 130
LYS A 172
ILE A 210
LEU A 203
ILE A 188
None
1.06A 4pthA-3c3kA:
2.6
4pthA-3c3kA:
22.02
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans)
PF00149
(Metallophos)
5 ILE A 101
THR A  91
ILE A  90
LEU A 337
ARG A 332
None
1.00A 4pthA-3c9fA:
undetectable
4pthA-3c9fA:
14.84
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.
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
1.02A 4pthA-3dfhA:
undetectable
4pthA-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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A 276
ILE A 286
LEU A 295
ILE A 279
THR A 241
None
1.00A 4pthA-3dfhA:
undetectable
4pthA-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)
5 ALA A   6
THR A  45
LEU A  54
ARG A  57
THR A 116
MTX  A 164 (-3.8A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
0.55A 4pthA-3dfrA:
24.2
4pthA-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)
7 ILE A  14
ALA A  16
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
0.61A 4pthA-3dg8A:
20.5
4pthA-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.
3foa TAIL SHEATH PROTEIN
GP18


(Escherichia
virus T4)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
5 ILE A 474
ALA A 472
LEU A 505
ILE A 499
TYR A  74
None
1.09A 4pthA-3foaA:
undetectable
4pthA-3foaA:
14.45
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)
8 ALA X   7
LYS X  32
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
N22  X 219 ( 3.6A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
0.72A 4pthA-3i8aX:
26.0
4pthA-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 ILE A   6
ALA A   8
MET A  21
LYS A  33
THR A  47
ILE A  51
ARG A  58
ILE A  96
TYR A 102
THR A 115
MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
0.44A 4pthA-3ia4A:
28.3
4pthA-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 ILE A   6
ALA A   8
MET A  21
THR A  47
ILE A  51
LEU A  55
ARG A  58
ILE A  96
TYR A 102
THR A 115
MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
0.44A 4pthA-3ia4A:
28.3
4pthA-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 ILE A   8
ALA A  10
LYS A  35
THR A  49
LEU A  58
ARG A  61
THR A 119
MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
0.66A 4pthA-3ix9A:
25.3
4pthA-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.
3j2n TAIL SHEATH PROTEIN
GP18


(Escherichia
virus T4)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C)
5 ILE U 474
ALA U 472
LEU U 505
ILE U 499
TYR U  74
None
1.09A 4pthA-3j2nU:
undetectable
4pthA-3j2nU:
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.
3kf8 PROTEIN STN1

(Candida
tropicalis)
PF10451
(Stn1)
5 ILE A 154
THR A  46
ILE A  47
LEU A  49
ILE A  85
None
1.07A 4pthA-3kf8A:
undetectable
4pthA-3kf8A:
22.75
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE


(Babesia bovis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
7 ALA A  16
THR A  69
ILE A  73
LEU A  80
ARG A  83
TYR A 129
THR A 144
NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
None
0.71A 4pthA-3kjrA:
20.9
4pthA-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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE


(Shigella
flexneri)
PF00145
(DNA_methylase)
6 ILE A 213
THR A 145
ILE A 141
LEU A  92
ILE A 212
THR A 244
None
1.20A 4pthA-3lx6A:
undetectable
4pthA-3lx6A:
17.71
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.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE


(Shigella
flexneri)
PF00145
(DNA_methylase)
6 ILE A 213
THR A 145
ILE A 141
LEU A  92
ILE A 212
THR A 244
None
1.20A 4pthA-3me5A:
undetectable
4pthA-3me5A:
17.58
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.
3nyi FAT ACID-BINDING
PROTEIN


(Eubacterium
ventriosum)
PF02645
(DegV)
5 ILE A 287
ALA A 129
ILE A 119
LEU A 152
THR A 265
None
1.03A 4pthA-3nyiA:
undetectable
4pthA-3nyiA:
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.
3ogj PRKG1 PROTEIN

(Homo sapiens)
PF00027
(cNMP_binding)
5 ILE A 146
ALA A 194
LEU A 204
ILE A 145
THR A 193
CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
1.10A 4pthA-3ogjA:
undetectable
4pthA-3ogjA:
20.59
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN


(Bacillus
subtilis)
PF04069
(OpuAC)
5 ALA A  48
ILE A 247
LEU A 258
ILE A 262
TYR A 131
None
1.09A 4pthA-3ppoA:
undetectable
4pthA-3ppoA:
17.92
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.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE


(Homo sapiens)
PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1)
5 ILE A 532
ILE A 665
LEU A 668
ARG A 673
ILE A 629
None
1.10A 4pthA-3qfsA:
2.8
4pthA-3qfsA:
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
brucei)
PF00186
(DHFR_1)
7 ALA A  34
THR A  86
LEU A  97
ARG A 100
ILE A 160
TYR A 166
THR A 184
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
0.32A 4pthA-3rg9A:
19.8
4pthA-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 4pthA-3s47A:
undetectable
4pthA-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.
3thw DNA MISMATCH REPAIR
PROTEIN MSH3


(Homo sapiens)
PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05192
(MutS_III)
5 ILE B 381
THR B 427
ILE B 431
LEU B 417
ILE B 362
None
1.03A 4pthA-3thwB:
undetectable
4pthA-3thwB:
10.94
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)
5 ALA A   7
THR A  47
ILE A  51
LEU A  55
ARG A  58
NDP  A1001 ( 4.1A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
0.96A 4pthA-3tq9A:
25.7
4pthA-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)
9 ILE A   6
ALA A   8
LYS A  33
THR A  47
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
0.24A 4pthA-3tq9A:
25.7
4pthA-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)
5 ILE A  94
LYS A  33
ILE A  51
LEU A  55
ILE A  41
None
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
1.09A 4pthA-3tq9A:
25.7
4pthA-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 ILE A  94
LYS A  33
THR A  47
ILE A  51
LEU A  55
ILE A  96
None
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
1.36A 4pthA-3tq9A:
25.7
4pthA-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)
7 ILE A  14
THR A 108
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
1CY  A 609 (-4.3A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
0.39A 4pthA-3um6A:
20.4
4pthA-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)
6 THR A 108
ILE A 112
LEU A 119
ARG A 122
ILE A 164
THR A 185
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
0.79A 4pthA-3um6A:
20.4
4pthA-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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE


(Coxiella
burnetii)
PF01041
(DegT_DnrJ_EryC1)
5 ILE A 152
LYS A 143
THR A 123
ILE A 119
ILE A 126
None
1.04A 4pthA-3uwcA:
undetectable
4pthA-3uwcA:
18.33
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.
3vco DIHYDROFOLATE
REDUCTASE


(Schistosoma
mansoni)
PF00186
(DHFR_1)
6 ALA A   8
LYS A  33
THR A  53
ILE A 111
TYR A 117
THR A 133
None
None
SO4  A 201 (-3.7A)
None
None
None
0.84A 4pthA-3vcoA:
18.4
4pthA-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
THR A  53
ILE A  57
LEU A  64
ARG A  67
ILE A 111
TYR A 117
THR A 133
None
SO4  A 201 (-3.7A)
None
None
None
None
None
None
0.70A 4pthA-3vcoA:
18.4
4pthA-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.
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
1.07A 4pthA-3zxyA:
undetectable
4pthA-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.
3zyp CIP1

(Trichoderma
reesei)
no annotation 5 ILE A  87
THR A 153
ILE A 151
LEU A 145
THR A  85
None
None
None
None
PEG  A1224 (-3.2A)
1.09A 4pthA-3zypA:
undetectable
4pthA-3zypA:
18.60
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.
4bru ATP-DEPENDENT RNA
HELICASE DHH1


(Saccharomyces
cerevisiae)
PF00270
(DEAD)
PF00271
(Helicase_C)
5 ILE A 356
ALA A 286
ILE A 413
ILE A 384
THR A 336
None
0.89A 4pthA-4bruA:
undetectable
4pthA-4bruA:
18.51
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.
4btp P1

(Pseudomonas
phage phi8)
no annotation 5 ALA A 610
THR A 423
ILE A 425
LEU A 593
ILE A 607
None
1.07A 4pthA-4btpA:
undetectable
4pthA-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.
4c23 L-FUCULOSE KINASE
FUCK


(Streptococcus
pneumoniae)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
5 ILE A 298
THR A 333
ILE A 331
LEU A 348
ILE A 297
None
0.86A 4pthA-4c23A:
undetectable
4pthA-4c23A:
17.27
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.
4g3h ARGINASE (ROCF)

(Helicobacter
pylori)
PF00491
(Arginase)
5 ILE A 305
THR A  41
ILE A  42
LEU A  28
ILE A 306
None
1.04A 4pthA-4g3hA:
undetectable
4pthA-4g3hA:
19.57
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)
9 ILE X  10
ALA X  12
THR X  61
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
0.52A 4pthA-4g8zX:
20.3
4pthA-4g8zX:
30.54
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.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE


(Planktothrix
agardhii)
PF00082
(Peptidase_S8)
5 ALA A 153
THR A 127
LEU A 136
TYR A 193
THR A 224
None
1.10A 4pthA-4h6wA:
undetectable
4pthA-4h6wA:
21.05
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)
11 ILE A   9
ALA A  11
MET A  25
LYS A  37
THR A  58
ILE A  62
LEU A  69
ARG A  72
ILE A 112
TYR A 118
THR A 133
14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
0.89A 4pthA-4h96A:
17.9
4pthA-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)
9 ILE A   9
ALA A  11
THR A  58
ILE A  62
LEU A  69
ARG A  72
ILE A 121
TYR A 127
THR A 140
14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
0.45A 4pthA-4h98A:
19.1
4pthA-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
0.95A 4pthA-4hnlA:
undetectable
4pthA-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.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE


(Streptococcus
uberis)
PF00348
(polyprenyl_synt)
5 ILE A 204
ALA A 208
ILE A 278
LEU A 264
ILE A 201
None
1.05A 4pthA-4lfeA:
undetectable
4pthA-4lfeA:
21.09
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2


(Bacillus
subtilis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 ILE A 237
ALA A  88
ILE A 146
ILE A 236
THR A   8
None
1.04A 4pthA-4ls5A:
undetectable
4pthA-4ls5A:
17.04
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)
8 ILE A   5
ALA A   7
THR A  46
LEU A  57
ARG A  60
ILE A  94
TYR A 100
THR A 113
TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
0.26A 4pthA-4m2xA:
23.5
4pthA-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 ILE A   5
ALA A   7
THR A  46
LEU A  55
ARG A  58
THR A 116
RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
0.75A 4pthA-4m7vA:
11.8
4pthA-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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A


(Streptococcus
pneumoniae)
PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix)
5 ILE A 306
ALA A 281
THR A 232
ILE A 250
ILE A 284
None
1.11A 4pthA-4mr0A:
undetectable
4pthA-4mr0A:
12.11
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.
4na3 POLYKETIDE SYNTHASE
PKSJ


(Bacillus
subtilis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
5 ILE A 121
ALA A 198
ILE A 367
ILE A 123
THR A 119
None
1.05A 4pthA-4na3A:
undetectable
4pthA-4na3A:
13.69
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.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2


(Bdellovibrio
bacteriovorus)
PF14566
(PTPlike_phytase)
5 ILE A 156
THR A 151
ILE A 148
LEU A  48
ILE A 108
None
GOL  A 302 (-3.9A)
None
None
None
1.05A 4pthA-4nx8A:
undetectable
4pthA-4nx8A:
19.73
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
LYS A  32
THR A  46
ILE A  50
ARG A  57
NAP  A 202 ( 4.2A)
None
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
1.47A 4pthA-4p68A:
30.0
4pthA-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)
11 ILE A   5
ALA A   7
MET A  20
TRP A  30
LYS A  32
THR A  46
ILE A  50
ARG A  57
ILE A  94
TYR A 100
THR A 113
MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
None
MTX  A 201 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
0.50A 4pthA-4p68A:
30.0
4pthA-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
1.01A 4pthA-4twiA:
undetectable
4pthA-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.
4wj0 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1


(Pyrococcus
horikoshii)
PF01867
(Cas_Cas1)
5 ILE A  61
ILE A  48
LEU A  14
ILE A  56
THR A 199
None
1.01A 4pthA-4wj0A:
undetectable
4pthA-4wj0A:
22.69
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST


(Plasmodium
falciparum)
PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C)
5 ILE A 228
THR A 190
ILE A 194
LEU A 219
ILE A 227
None
0.97A 4pthA-4y67A:
2.2
4pthA-4y67A:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b71 COMPLEMENT C5 BETA
CHAIN


(Homo sapiens)
no annotation 5 ILE E  87
ALA E  35
ILE E  39
LEU E 104
ILE E  56
None
1.06A 4pthA-5b71E:
undetectable
4pthA-5b71E:
16.87
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
THR A  63
ILE A  67
LEU A  71
ARG A  74
NAP  A 201 (-3.7A)
None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
1.42A 4pthA-5dxvA:
17.1
4pthA-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)
10 ILE A   5
ALA A   7
TRP A  47
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
None
NAP  A 201 (-3.7A)
None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
0.42A 4pthA-5dxvA:
17.1
4pthA-5dxvA:
69.10
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.
5eve PROFILIN

(Ambrosia
artemisiifolia)
PF00235
(Profilin)
5 ILE A 107
ALA A  26
ILE A  85
LEU A  67
ILE A  94
None
1.05A 4pthA-5eveA:
undetectable
4pthA-5eveA:
20.86
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)
7 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
None
0.57A 4pthA-5fdaA:
19.9
4pthA-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.
5fef PROFILIN-5

(Zea mays)
PF00235
(Profilin)
5 ILE A 105
ALA A  24
ILE A  83
LEU A  65
ILE A  92
None
None
GOL  A 201 ( 4.9A)
None
None
1.02A 4pthA-5fefA:
undetectable
4pthA-5fefA:
17.90
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.
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2


(Homo sapiens)
PF01094
(ANF_receptor)
5 ILE A 259
ALA A 230
ILE A 181
LEU A 152
ILE A 156
None
1.07A 4pthA-5kc8A:
undetectable
4pthA-5kc8A:
16.62
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus)
no annotation 5 ILE A 217
THR A 165
LEU A 220
ILE A 218
THR A  58
None
1.07A 4pthA-5no8A:
undetectable
4pthA-5no8A:
13.07
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.
5nzb PROFILIN-2

(Betula pendula)
no annotation 5 ILE A 107
ALA A  26
ILE A  85
LEU A  67
ILE A  94
None
1.05A 4pthA-5nzbA:
undetectable
4pthA-5nzbA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Toxoplasma
gondii)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
6 ALA A  10
THR A  83
LEU A  94
ARG A  97
TYR A 157
THR A 172
73X  A 704 (-4.0A)
NDP  A 702 (-3.2A)
None
None
None
73X  A 704 (-4.2A)
0.29A 4pthA-5t0lA:
21.3
4pthA-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.
5win -

(-)
no annotation 5 MET A 661
TRP A 718
ILE A 670
LEU A 730
THR A 742
None
1.02A 4pthA-5winA:
undetectable
4pthA-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.
5y9w POLLEN RECEPTOR-LIKE
KINASE 6


(Arabidopsis
thaliana)
no annotation 5 ILE B 160
MET B 191
ILE B 212
LEU B 222
ILE B 184
None
1.10A 4pthA-5y9wB:
undetectable
4pthA-5y9wB:
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 9 ILE A   6
ALA A   8
LYS A  33
THR A  47
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
0.53A 4pthA-6cxmA:
21.8
4pthA-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
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
0.45A 4pthA-6e4eA:
25.9
4pthA-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.
6ft1 FLAVODOXIN

(Bacillus cereus)
no annotation 5 ILE A  38
ALA A  57
ILE A  53
LEU A  47
ILE A   7
None
0.91A 4pthA-6ft1A:
2.2
4pthA-6ft1A:
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria))
PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C)
3 ASP C 482
LEU C 483
PHE C 486
None
0.74A 4pthA-1ea9C:
undetectable
4pthA-1ea9C:
14.38
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.
1eqk ORYZACYSTATIN-I

(Oryza sativa)
PF16845
(SQAPI)
3 ASP A  25
LEU A  26
PHE A  29
None
0.55A 4pthA-1eqkA:
undetectable
4pthA-1eqkA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1


(Rattus
norvegicus)
PF01094
(ANF_receptor)
3 ASP A 351
LEU A 355
PHE A 354
None
0.73A 4pthA-1ewkA:
3.2
4pthA-1ewkA:
15.31
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.
1ezr NUCLEOSIDE HYDROLASE

(Leishmania
major)
PF01156
(IU_nuc_hydro)
3 ASP A 295
LEU A 294
PHE A 296
None
0.74A 4pthA-1ezrA:
0.2
4pthA-1ezrA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f7u ARGINYL-TRNA
SYNTHETASE


(Saccharomyces
cerevisiae)
PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1)
3 ASP A 419
LEU A 418
PHE A 158
None
0.53A 4pthA-1f7uA:
0.0
4pthA-1f7uA:
14.17
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.
1ith HEMOGLOBIN (CYANO
MET)


(Urechis caupo)
PF00042
(Globin)
3 ASP A  12
LEU A  16
PHE A  15
None
0.75A 4pthA-1ithA:
undetectable
4pthA-1ithA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE


(Escherichia
virus T4)
PF00186
(DHFR_1)
3 ASP A  36
LEU A  37
PHE A  40
None
0.45A 4pthA-1juvA:
18.0
4pthA-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.
1llp LIGNIN PEROXIDASE

(Phanerochaete
chrysosporium)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
3 ASP A  22
LEU A  21
PHE A  18
None
0.52A 4pthA-1llpA:
0.0
4pthA-1llpA:
18.10
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1


(Paracoccus
denitrificans)
PF01011
(PQQ)
PF13360
(PQQ_2)
3 ASP A 253
LEU A 254
PHE A 255
None
0.65A 4pthA-1lrwA:
undetectable
4pthA-1lrwA:
13.33
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE


(Methylosinus
trichosporium)
PF02332
(Phenol_Hydrox)
3 ASP B 188
LEU B 187
PHE B 184
None
0.44A 4pthA-1mhyB:
undetectable
4pthA-1mhyB:
18.77
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.
1nfd H57 FAB
H57 FAB


(Mus musculus;
Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set)
3 ASP F 101
LEU E  46
PHE F 100
None
0.66A 4pthA-1nfdF:
undetectable
4pthA-1nfdF:
19.28
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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens)
PF00104
(Hormone_recep)
3 ASP A 426
LEU A 429
PHE A 425
None
0.75A 4pthA-1pcgA:
undetectable
4pthA-1pcgA:
22.76
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.
1qfw ANTIBODY (ANTI ALPHA
SUBUNIT) (HEAVY
CHAIN)
ANTIBODY (ANTI ALPHA
SUBUNIT) (LIGHT
CHAIN)


(Mus musculus;
Mus musculus)
PF07686
(V-set)
PF07686
(V-set)
3 ASP H 105
LEU L  50
PHE H 104
None
0.71A 4pthA-1qfwH:
undetectable
4pthA-1qfwH:
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.
1qpa LIGNIN PEROXIDASE

(Phanerochaete
chrysosporium)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
3 ASP A  22
LEU A  21
PHE A  18
None
0.39A 4pthA-1qpaA:
undetectable
4pthA-1qpaA:
17.86
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.
1qsd PROTEIN
(BETA-TUBULIN
BINDING
POST-CHAPERONIN
COFACTOR)


(Saccharomyces
cerevisiae)
PF02970
(TBCA)
3 ASP A  75
LEU A  76
PHE A  79
None
0.63A 4pthA-1qsdA:
undetectable
4pthA-1qsdA:
21.38
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.
1tkp IRON-RICH
DPSA-HOMOLOG PROTEIN


(Halobacterium
salinarum)
PF00210
(Ferritin)
3 ASP A  62
LEU A  63
PHE A  66
None
0.18A 4pthA-1tkpA:
undetectable
4pthA-1tkpA:
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.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE


(Thermus
thermophilus)
PF02219
(MTHFR)
3 ASP A 162
LEU A 163
PHE A 166
FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
0.54A 4pthA-1v93A:
undetectable
4pthA-1v93A:
18.24
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.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum)
PF00891
(Methyltransf_2)
3 ASP A 114
LEU A 111
PHE A 115
None
0.63A 4pthA-1x1bA:
undetectable
4pthA-1x1bA:
19.31
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.
1yln HYPOTHETICAL PROTEIN
VCA0042


(Vibrio cholerae)
PF07238
(PilZ)
PF12945
(YcgR_2)
3 ASP A 162
LEU A 163
PHE A 141
None
0.74A 4pthA-1ylnA:
undetectable
4pthA-1ylnA:
18.33
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 ASP A  27
LEU A  28
PHE A  31
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
0.41A 4pthA-1zdrA:
25.1
4pthA-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.
2btv PROTEIN (VP7 CORE
PROTEIN)


(Bluetongue
virus)
no annotation 3 ASP P  67
LEU P  66
PHE P  63
None
0.34A 4pthA-2btvP:
undetectable
4pthA-2btvP:
18.86
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.
2d81 PHB DEPOLYMERASE

(Talaromyces
funiculosus)
PF10503
(Esterase_phd)
3 ASP A 140
LEU A 108
PHE A 139
None
0.73A 4pthA-2d81A:
undetectable
4pthA-2d81A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dla 397AA LONG
HYPOTHETICAL PROTEIN


(Pyrococcus
horikoshii)
PF04104
(DNA_primase_lrg)
3 ASP A  62
LEU A  63
PHE A  66
None
0.55A 4pthA-2dlaA:
undetectable
4pthA-2dlaA:
20.27
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.
2fqh HYPOTHETICAL PROTEIN
TA0938


(Thermoplasma
acidophilum)
PF11494
(Ta0938)
3 ASP A  38
LEU A  39
PHE A  40
None
0.58A 4pthA-2fqhA:
undetectable
4pthA-2fqhA:
19.87
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.
2jpo PHEROMONE-BINDING
PROTEIN


(Antheraea
polyphemus)
PF01395
(PBP_GOBP)
3 ASP A  32
LEU A  33
PHE A  36
None
0.53A 4pthA-2jpoA:
undetectable
4pthA-2jpoA:
18.60
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.
2jqq CONSERVED OLIGOMERIC
GOLGI COMPLEX
SUBUNIT 2


(Saccharomyces
cerevisiae)
no annotation 3 ASP A 113
LEU A 114
PHE A 117
None
0.74A 4pthA-2jqqA:
undetectable
4pthA-2jqqA:
22.79
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.
2lgd UBIQUITIN-LIKE
DOMAIN-CONTAINING
CTD PHOSPHATASE 1


(Homo sapiens)
PF00240
(ubiquitin)
3 ASP A  27
LEU A  28
PHE A  31
None
0.60A 4pthA-2lgdA:
undetectable
4pthA-2lgdA:
21.99
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.
2m5w LUPUS LA PROTEIN

(Dictyostelium
discoideum)
PF05383
(La)
3 ASP A  25
LEU A  28
PHE A  27
None
0.62A 4pthA-2m5wA:
undetectable
4pthA-2m5wA:
16.90
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.
2mas INOSINE-URIDINE
NUCLEOSIDE
N-RIBOHYDROLASE


(Crithidia
fasciculata)
PF01156
(IU_nuc_hydro)
3 ASP A 296
LEU A 295
PHE A 297
None
0.68A 4pthA-2masA:
undetectable
4pthA-2masA:
22.68
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.
2myi EXODEOXYRIBONUCLEASE
III


(Pseudomonas sp.
Lz4W)
PF03372
(Exo_endo_phos)
3 ASP A 128
LEU A 125
PHE A 129
None
0.71A 4pthA-2myiA:
undetectable
4pthA-2myiA:
22.69
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2


(Homo sapiens)
PF01728
(FtsJ)
3 ASP A 116
LEU A 115
PHE A 112
None
0.47A 4pthA-2nyuA:
2.4
4pthA-2nyuA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR


(Cryptosporidium
hominis)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
3 ASP A  32
LEU A  33
PHE A  36
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
0.11A 4pthA-2oipA:
21.4
4pthA-2oipA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q6t DNAB REPLICATION
FORK HELICASE


(Thermus
aquaticus)
PF00772
(DnaB)
PF03796
(DnaB_C)
3 ASP A 191
LEU A 190
PHE A 187
None
0.48A 4pthA-2q6tA:
1.5
4pthA-2q6tA:
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.
2qco CMER

(Campylobacter
jejuni)
PF00440
(TetR_N)
3 ASP A  66
LEU A  65
PHE A  62
None
0.75A 4pthA-2qcoA:
undetectable
4pthA-2qcoA:
18.47
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.
2qqh COMPLEMENT COMPONENT
C8 ALPHA CHAIN


(Homo sapiens)
PF01823
(MACPF)
3 ASP A 242
LEU A 246
PHE A 245
None
0.74A 4pthA-2qqhA:
undetectable
4pthA-2qqhA:
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE


(Methanocaldococcus
jannaschii)
PF00814
(Peptidase_M22)
PF01163
(RIO1)
3 ASP A 483
LEU A 484
PHE A 487
None
0.63A 4pthA-2vwbA:
undetectable
4pthA-2vwbA:
16.23
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)
3 ASP A  31
LEU A  32
PHE A  35
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
0.26A 4pthA-2w3wA:
24.8
4pthA-2w3wA:
34.50
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.
2w8s PHOSPHONATE
MONOESTER HYDROLASE


(Paraburkholderia
caryophylli)
PF00884
(Sulfatase)
PF16347
(DUF4976)
3 ASP A 309
LEU A 308
PHE A 305
None
0.71A 4pthA-2w8sA:
undetectable
4pthA-2w8sA:
15.31
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.
2xay RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT BETA


(unidentified)
no annotation 3 ASP D 369
LEU D 370
PHE D 373
None
0.67A 4pthA-2xayD:
undetectable
4pthA-2xayD:
9.62
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.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE


(Shewanella sp.)
PF00149
(Metallophos)
3 ASP A 243
LEU A 244
PHE A 247
None
0.65A 4pthA-2zbmA:
undetectable
4pthA-2zbmA:
19.22
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.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus)
PF00561
(Abhydrolase_1)
3 ASP A 115
LEU A 114
PHE A 111
None
0.33A 4pthA-2zyiA:
undetectable
4pthA-2zyiA:
16.20
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.
3aje PUTATIVE
UNCHARACTERIZED
PROTEIN ST1526


(Sulfurisphaera
tokodaii)
PF01300
(Sua5_yciO_yrdC)
PF03481
(SUA5)
3 ASP A 306
LEU A 305
PHE A 302
None
0.66A 4pthA-3ajeA:
3.6
4pthA-3ajeA:
18.81
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.
3bgw DNAB-LIKE
REPLICATIVE HELICASE


(Bacillus phage
SPP1)
PF00772
(DnaB)
PF03796
(DnaB_C)
3 ASP A 186
LEU A 185
PHE A 182
None
0.53A 4pthA-3bgwA:
undetectable
4pthA-3bgwA:
16.52
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.
3bh0 DNAB-LIKE
REPLICATIVE HELICASE


(Bacillus phage
SPP1)
PF03796
(DnaB_C)
3 ASP A 186
LEU A 185
PHE A 182
None
0.43A 4pthA-3bh0A:
undetectable
4pthA-3bh0A:
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.
3bks STEROL CARRIER
PROTEIN-2 LIKE-3


(Aedes aegypti)
PF02036
(SCP2)
3 ASP A 114
LEU A 113
PHE A 110
None
0.59A 4pthA-3bksA:
undetectable
4pthA-3bksA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7v BETA-LACTAMASE
INHIBITORY PROTEIN


(Streptomyces
clavuligerus)
PF07467
(BLIP)
3 ASP B 133
LEU B  83
PHE B 132
None
0.65A 4pthA-3c7vB:
undetectable
4pthA-3c7vB:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3db2 PUTATIVE
NADPH-DEPENDENT
OXIDOREDUCTASE


(Desulfitobacterium
hafniense)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
3 ASP A 256
LEU A 255
PHE A 257
None
0.69A 4pthA-3db2A:
2.1
4pthA-3db2A:
18.47
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.
3dfr DIHYDROFOLATE
REDUCTASE


(Lactobacillus
casei)
PF00186
(DHFR_1)
3 ASP A  26
LEU A  27
PHE A  30
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
0.18A 4pthA-3dfrA:
24.2
4pthA-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.
3e7d COBH, PRECORRIN-8X
METHYLMUTASE


(Brucella
abortus)
PF02570
(CbiC)
3 ASP A 148
LEU A 147
PHE A 144
None
0.74A 4pthA-3e7dA:
undetectable
4pthA-3e7dA:
26.03
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.
3epj TRNA
ISOPENTENYLTRANSFERA
SE


(Saccharomyces
cerevisiae)
PF01715
(IPPT)
3 ASP A 218
LEU A 217
PHE A 214
None
0.66A 4pthA-3epjA:
3.3
4pthA-3epjA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2i ALR0221 PROTEIN

(Nostoc sp. PCC
7120)
PF00300
(His_Phos_1)
3 ASP A  91
LEU A  90
PHE A  87
None
0.72A 4pthA-3f2iA:
undetectable
4pthA-3f2iA:
22.16
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.
3g4s 50S RIBOSOMAL
PROTEIN L6P


(Haloarcula
marismortui)
PF00347
(Ribosomal_L6)
3 ASP E 164
LEU E 108
PHE E  91
None
None
A  02694 ( 4.5A)
0.61A 4pthA-3g4sE:
undetectable
4pthA-3g4sE:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lby PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1697C


(Streptococcus
mutans)
PF06962
(rRNA_methylase)
3 ASP A  11
LEU A   8
PHE A  12
None
0.72A 4pthA-3lbyA:
2.6
4pthA-3lbyA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljn HYPOTHETICAL PROTEIN

(Leishmania
major)
PF00023
(Ank)
PF12796
(Ank_2)
3 ASP A 264
LEU A 267
PHE A 266
None
0.65A 4pthA-3ljnA:
undetectable
4pthA-3ljnA:
16.16
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803)
PF00654
(Voltage_CLC)
3 ASP A 273
LEU A 272
PHE A 269
None
0.71A 4pthA-3nd0A:
undetectable
4pthA-3nd0A:
15.25
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.
3nrb FORMYLTETRAHYDROFOLA
TE DEFORMYLASE


(Pseudomonas
putida)
PF00551
(Formyl_trans_N)
PF01842
(ACT)
3 ASP A 180
LEU A 181
PHE A 184
None
0.68A 4pthA-3nrbA:
undetectable
4pthA-3nrbA:
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.
3nwg MICROCOMPARTMENTS
PROTEIN


(Desulfitobacterium
hafniense)
PF00936
(BMC)
3 ASP A  69
LEU A   6
PHE A  71
None
0.74A 4pthA-3nwgA:
undetectable
4pthA-3nwgA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae)
PF00857
(Isochorismatase)
3 ASP A  84
LEU A  85
PHE A  88
None
0.69A 4pthA-3o90A:
2.5
4pthA-3o90A:
23.21
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE


(Leishmania
major)
PF01704
(UDPGP)
3 ASP A  47
LEU A  48
PHE A  51
None
0.69A 4pthA-3ogzA:
undetectable
4pthA-3ogzA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pz9 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE. GLYCOSYL
HYDROLASE FAMILY 5


(Thermotoga
petrophila)
PF00150
(Cellulase)
3 ASP A 113
LEU A 112
PHE A 109
None
0.49A 4pthA-3pz9A:
undetectable
4pthA-3pz9A:
17.37
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
3 ASP A  22
LEU A  21
PHE A  18
None
0.72A 4pthA-3q3uA:
undetectable
4pthA-3q3uA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r38 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1


(Listeria
monocytogenes)
PF00275
(EPSP_synthase)
3 ASP A 194
LEU A 195
PHE A 198
None
0.68A 4pthA-3r38A:
undetectable
4pthA-3r38A:
17.87
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.
3r5x D-ALANINE--D-ALANINE
LIGASE


(Bacillus
anthracis)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
3 ASP A 127
LEU A 126
PHE A 123
None
0.71A 4pthA-3r5xA:
3.2
4pthA-3r5xA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M


(Escherichia
coli)
no annotation 3 ASP M 135
LEU M 138
PHE M 137
None
0.66A 4pthA-3rkoM:
undetectable
4pthA-3rkoM:
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG


(Mus musculus)
PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2)
3 ASP A 241
LEU A 240
PHE A 237
None
0.70A 4pthA-3s51A:
undetectable
4pthA-3s51A:
7.56
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF12741
(SusD-like)
3 ASP A 174
LEU A 173
PHE A 170
None
0.45A 4pthA-3sghA:
undetectable
4pthA-3sghA:
16.40
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 ASP A  28
LEU A  29
PHE A  32
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
0.30A 4pthA-3tq9A:
25.7
4pthA-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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
3 ASP A  63
LEU A  62
PHE A  59
None
0.44A 4pthA-3ttsA:
undetectable
4pthA-3ttsA:
13.33
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides)
PF02449
(Glyco_hydro_42)
3 ASP A 109
LEU A 108
PHE A 105
None
0.47A 4pthA-3u7vA:
undetectable
4pthA-3u7vA:
14.91
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.
3wh9 ENDO-BETA-1,4-MANNAN
ASE


(Aspergillus
niger)
PF00150
(Cellulase)
3 ASP A 303
LEU A 304
PHE A 305
None
0.61A 4pthA-3wh9A:
undetectable
4pthA-3wh9A:
17.25
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.
3wt2 PROTEIN
DISULFIDE-ISOMERASE


(Humicola
insolens)
PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6)
3 ASP A 435
LEU A 436
PHE A 439
None
0.37A 4pthA-3wt2A:
undetectable
4pthA-3wt2A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zc4 SSO1398

(Sulfolobus
solfataricus)
no annotation 3 ASP A 145
LEU A 144
PHE A 141
None
0.38A 4pthA-3zc4A:
undetectable
4pthA-3zc4A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE


(Podospora
anserina)
PF00150
(Cellulase)
3 ASP A 305
LEU A 306
PHE A 307
None
0.63A 4pthA-3zizA:
undetectable
4pthA-3zizA:
15.50
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.
4ac3 BIFUNCTIONAL PROTEIN
GLMU


(Streptococcus
pneumoniae)
PF00132
(Hexapep)
PF00483
(NTP_transferase)
PF14602
(Hexapep_2)
3 ASP A 219
LEU A 217
PHE A 220
None
0.64A 4pthA-4ac3A:
undetectable
4pthA-4ac3A:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bm1 MANGANESE PEROXIDASE
4


(Pleurotus
ostreatus)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
3 ASP A  23
LEU A  22
PHE A  19
None
0.42A 4pthA-4bm1A:
undetectable
4pthA-4bm1A:
17.97
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.
4cc9 PROTEIN VPX

(Simian
immunodeficiency
virus)
PF00522
(VPR)
3 ASP B  26
LEU B  25
PHE B  22
None
0.39A 4pthA-4cc9B:
undetectable
4pthA-4cc9B:
16.98
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.
4dvz CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN


(Helicobacter
pylori)
no annotation 3 ASP A 814
LEU A 815
PHE A 818
None
0.44A 4pthA-4dvzA:
undetectable
4pthA-4dvzA:
13.02
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.
4fcs VERSATILE PEROXIDASE
VPL2


(Pleurotus
eryngii)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
3 ASP A  22
LEU A  21
PHE A  18
None
0.49A 4pthA-4fcsA:
undetectable
4pthA-4fcsA:
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.
4h3v OXIDOREDUCTASE
DOMAIN PROTEIN


(Kribbella
flavida)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
3 ASP A 198
LEU A 199
PHE A 202
None
0.59A 4pthA-4h3vA:
undetectable
4pthA-4h3vA:
17.95
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.
4hzc CYSE, SERINE
ACETYLTRANSFERASE


(Brucella
abortus)
PF00132
(Hexapep)
PF06426
(SATase_N)
3 ASP A  78
LEU A  81
PHE A  77
None
0.75A 4pthA-4hzcA:
undetectable
4pthA-4hzcA:
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.
4kmo PUTATIVE VACUOLAR
PROTEIN
SORTING-ASSOCIATED
PROTEIN


(Chaetomium
thermophilum)
PF04840
(Vps16_C)
3 ASP B 559
LEU B 560
PHE B 563
None
0.36A 4pthA-4kmoB:
undetectable
4pthA-4kmoB:
17.93
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.
4l8o BILE ACID
7A-DEHYDRATASE, BAIE


([Clostridium]
hylemonae)
PF13577
(SnoaL_4)
3 ASP A  35
LEU A  34
PHE A  31
None
0.61A 4pthA-4l8oA:
undetectable
4pthA-4l8oA:
20.74
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.
4l8p BILE ACID
7A-DEHYDRATASE, BAIE


([Clostridium]
hiranonis)
PF13577
(SnoaL_4)
3 ASP A  35
LEU A  34
PHE A  31
None
0.61A 4pthA-4l8pA:
undetectable
4pthA-4l8pA:
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.
4ldp NDP-FOROSAMYLTRANSFE
RASE


(Saccharopolyspora
spinosa)
PF06722
(DUF1205)
3 ASP A 114
LEU A 115
PHE A 118
None
0.67A 4pthA-4ldpA:
undetectable
4pthA-4ldpA:
16.94
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.
4leh BILE ACID 7-ALPHA
DEHYDRATASE, BAIE


([Clostridium]
scindens)
PF13577
(SnoaL_4)
3 ASP A  38
LEU A  37
PHE A  34
None
0.67A 4pthA-4lehA:
undetectable
4pthA-4lehA:
19.79
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum)
PF00031
(Cystatin)
3 ASP A  21
LEU A  22
PHE A  25
None
0.66A 4pthA-4lziA:
undetectable
4pthA-4lziA:
19.42
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 ASP A  27
LEU A  28
PHE A  31
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
0.35A 4pthA-4m7vA:
11.8
4pthA-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.
4mn7 PUTATIVE
UNCHARACTERIZED
PROTEIN TA0848


(Thermoplasma
acidophilum)
PF13185
(GAF_2)
3 ASP A   2
LEU A   3
PHE A   6
None
0.62A 4pthA-4mn7A:
undetectable
4pthA-4mn7A:
22.75
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.
4n5c CARGO-TRANSPORT
PROTEIN YPP1


(Saccharomyces
cerevisiae)
no annotation 3 ASP A  42
LEU A  41
PHE A  38
None
0.63A 4pthA-4n5cA:
undetectable
4pthA-4n5cA:
10.78
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.
4nmn REPLICATIVE DNA
HELICASE


(Aquifex
aeolicus)
PF00772
(DnaB)
PF03796
(DnaB_C)
3 ASP A 190
LEU A 189
PHE A 186
None
0.62A 4pthA-4nmnA:
undetectable
4pthA-4nmnA:
15.33
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.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN


(Clostridioides
difficile)
PF09084
(NMT1)
3 ASP A  26
LEU A  25
PHE A  22
None
0.46A 4pthA-4nmyA:
undetectable
4pthA-4nmyA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obs ALPHA-L-IDURONIDASE

(Homo sapiens)
PF01229
(Glyco_hydro_39)
3 ASP A 115
LEU A 114
PHE A 111
None
0.69A 4pthA-4obsA:
undetectable
4pthA-4obsA:
13.39
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.
4on9 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
3 ASP A 392
LEU A 391
PHE A 388
None
0.75A 4pthA-4on9A:
undetectable
4pthA-4on9A:
13.40
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.
4pcq POSSIBLE
TRANSCRIPTIONAL
REGULATORY PROTEIN
(PROBABLY
LRP/ASNC-FAMILY)


(Mycobacterium
tuberculosis)
PF01037
(AsnC_trans_reg)
PF13412
(HTH_24)
3 ASP A 146
LEU A 147
PHE A 150
None
0.68A 4pthA-4pcqA:
undetectable
4pthA-4pcqA:
24.17
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus)
PF06441
(EHN)
3 ASP A 374
LEU A 375
PHE A 378
None
0.51A 4pthA-4qa9A:
undetectable
4pthA-4qa9A:
17.66
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.
4uom FAB FRAGMENT HEAVY
CHAIN
FAB FRAGMENT LIGHT
CHAIN


(Homo sapiens;
Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set)
3 ASP H 104
LEU L  47
PHE H 103
None
0.72A 4pthA-4uomH:
undetectable
4pthA-4uomH:
18.58
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
3 ASP A  77
LEU A  76
PHE A  73
None
0.65A 4pthA-4uozA:
undetectable
4pthA-4uozA:
12.37
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.
4w8p TALIN-1

(Mus musculus)
no annotation 3 ASP A1394
LEU A1393
PHE A1390
None
0.74A 4pthA-4w8pA:
undetectable
4pthA-4w8pA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd1 ACETOACETATE-COA
LIGASE


(Streptomyces
lividans)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N)
3 ASP A 645
LEU A 646
PHE A 649
None
0.75A 4pthA-4wd1A:
2.1
4pthA-4wd1A:
12.94
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.
4wvm STONUSTOXIN SUBUNIT
BETA


(Synanceia
horrida)
PF00622
(SPRY)
PF13765
(PRY)
3 ASP B 415
LEU B 418
PHE B 417
None
0.73A 4pthA-4wvmB:
undetectable
4pthA-4wvmB:
11.71