SIMILAR PATTERNS OF AMINO ACIDS FOR 4PTH_A_FOLA201_1

List of similar pattern of amino acids derived from ASSAM search

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

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