SIMILAR PATTERNS OF AMINO ACIDS FOR 3TQB_A_FOLA2001

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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		5 ALA A 119
LEU A 163
THR A 145
ILE A 196
ILE A 151
 None
 1.12A 3tqbA-1cvmA:
undetectable		 3tqbA-1cvmA:
17.56
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		8 ALA A   8
ASP A  27
THR A  47
ILE A  51
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
None
None
 0.46A 3tqbA-1cz3A:
20.2		 3tqbA-1cz3A:
29.03
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) 		7 ALA A   9
LEU A  22
THR A  56
ILE A  60
LEU A  67
ARG A  70
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.62A 3tqbA-1dr6A:
21.4		 3tqbA-1dr6A:
31.58
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 278
LEU A 392
ILE A 372
LEU A 327
ILE A 333
 None
 1.11A 3tqbA-1e5fA:
undetectable		 3tqbA-1e5fA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		8 LEU A  28
ASP A  36
LEU A  37
LYS A  41
THR A  55
LEU A  63
ARG A  66
ILE A 127
 None
None
None
None
NDP  A 194 (-3.3A)
None
None
None
 1.19A 3tqbA-1juvA:
17.9		 3tqbA-1juvA:
27.72
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 514
LEU A 458
THR A 371
ILE A 373
LEU A 393
 None
 1.02A 3tqbA-1ovmA:
undetectable		 3tqbA-1ovmA:
14.67
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.
1pp1 P40 NUCLEOPROTEIN

(Borna disease
virus) 		PF06407
(BDV_P40) 		5 ASP X 250
LEU X 253
THR X 240
ILE X 241
LEU X 302
 None
 1.01A 3tqbA-1pp1X:
undetectable		 3tqbA-1pp1X:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 286
LEU A   3
THR A  74
ILE A  54
LEU A  51
 None
 1.09A 3tqbA-1qp8A:
undetectable		 3tqbA-1qp8A:
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.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 286
LEU A 282
LEU A   3
ILE A  54
LEU A  51
 None
 1.06A 3tqbA-1qp8A:
undetectable		 3tqbA-1qp8A:
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
THR A 136
 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)
MTX  A 187 (-4.4A)
 0.47A 3tqbA-1u70A:
21.0		 3tqbA-1u70A:
28.71
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
ILE A  60
LEU A  67
ARG A  70
THR A 136
 MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.40A 3tqbA-1u71A:
21.1		 3tqbA-1u71A:
29.00
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.
1v5l PDZ AND LIM DOMAIN 3
ACTININ ALPHA 2
ASSOCIATED LIM
PROTEIN

(Mus musculus) 		PF00595
(PDZ) 		5 ALA A  55
LEU A  80
ILE A  33
LEU A  47
ILE A  84
 None
 1.09A 3tqbA-1v5lA:
undetectable		 3tqbA-1v5lA:
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		5 ALA A 612
LEU A 641
THR A 587
LEU A 558
ILE A 564
 None
 1.02A 3tqbA-1w8oA:
undetectable		 3tqbA-1w8oA:
13.42
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) 		11 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  32
THR A  46
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.50A 3tqbA-1zdrA:
24.2		 3tqbA-1zdrA:
42.62
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 LEU A 192
LEU A 141
ILE A 136
ILE A 224
THR A 177
 GOL  A 379 ( 4.0A)
GOL  A 379 (-4.2A)
None
None
None
 1.03A 3tqbA-2awaA:
undetectable		 3tqbA-2awaA:
18.27
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ALA A  15
LEU A  45
ASP A  53
ILE A 121
LEU A 128
ARG A 131
ILE A 173
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.71A 3tqbA-2blbA:
20.1		 3tqbA-2blbA:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3tqbA-2f4iA:
undetectable		 3tqbA-2f4iA:
22.49
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.
2f9h PTS SYSTEM, IIA
COMPONENT

(Enterococcus
faecalis) 		PF03829
(PTSIIA_gutA) 		5 LEU A 105
THR A 117
ILE A 119
LEU A  26
ILE A 113
 None
 1.08A 3tqbA-2f9hA:
undetectable		 3tqbA-2f9hA:
23.03
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.
2gdz NAD+-DEPENDENT
15-HYDROXYPROSTAGLAN
DIN DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		5 ALA A  14
ASP A  36
THR A 188
ILE A 190
ILE A  17
 NAD  A 300 ( 3.9A)
NAD  A 300 (-2.8A)
NAD  A 300 (-2.7A)
NAD  A 300 (-3.9A)
NAD  A 300 (-3.9A)
 1.12A 3tqbA-2gdzA:
undetectable		 3tqbA-2gdzA:
22.50
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
ASP A  48
THR A  80
ILE A  84
LEU A  91
ARG A  94
ILE A 154
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.57A 3tqbA-2h2qA:
19.4		 3tqbA-2h2qA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h98 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 LEU A 286
LEU A 142
ILE A 108
LEU A 105
ILE A 269
 None
 1.06A 3tqbA-2h98A:
undetectable		 3tqbA-2h98A:
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.
2iwo MULTIPLE PDZ DOMAIN
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A1879
THR A1893
ILE A1888
LEU A1905
ILE A1862
 None
 1.02A 3tqbA-2iwoA:
undetectable		 3tqbA-2iwoA:
18.99
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.
2kbf ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00271
(Helicase_C) 		6 ALA A 436
LEU A 321
THR A 386
ILE A 385
LEU A 350
ILE A 334
 None
 1.32A 3tqbA-2kbfA:
undetectable		 3tqbA-2kbfA:
20.87
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  11
LEU A  25
ASP A  32
LEU A  33
THR A  58
ILE A  62
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.65A 3tqbA-2oipA:
21.3		 3tqbA-2oipA:
18.76
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) 		8 ALA A   8
LEU A  21
LEU A  29
LYS A  33
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.72A 3tqbA-2qk8A:
25.2		 3tqbA-2qk8A:
38.76
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		5 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.11A 3tqbA-2qpqA:
1.5		 3tqbA-2qpqA:
19.54
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.96A 3tqbA-2rjqA:
undetectable		 3tqbA-2rjqA:
16.40
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
ASP A  31
LEU A  32
THR A  50
LEU A  61
ARG A  64
ILE A 102
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
VG9  A1168 ( 4.7A)
 0.55A 3tqbA-2w3wA:
23.6		 3tqbA-2w3wA:
29.89
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) 		7 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  32
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.83A 3tqbA-2w9sA:
24.8		 3tqbA-2w9sA:
42.11
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 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.52A 3tqbA-2w9sA:
24.8		 3tqbA-2w9sA:
42.11
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.
2wtn EST1E

(Butyrivibrio
proteoclasticus) 		PF08386
(Abhydrolase_4)
PF12146
(Hydrolase_4) 		5 ALA A  55
LEU A  14
LEU A  93
ILE A   3
ILE A  28
 None
 1.10A 3tqbA-2wtnA:
2.2		 3tqbA-2wtnA:
21.60
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA F 307
ILE F 217
LEU F 213
ILE F 246
THR F 311
 None
 1.01A 3tqbA-2xwbF:
undetectable		 3tqbA-2xwbF:
12.99
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.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.86A 3tqbA-3b8zA:
undetectable		 3tqbA-3b8zA:
20.55
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.
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
 1.08A 3tqbA-3dfhA:
undetectable		 3tqbA-3dfhA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		8 ALA A   6
LEU A  19
ASP A  26
LEU A  27
THR A  45
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.58A 3tqbA-3dfrA:
24.3		 3tqbA-3dfrA:
32.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
LEU A  46
ASP A  54
ILE A 112
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.64A 3tqbA-3dg8A:
19.9		 3tqbA-3dg8A:
24.38
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.
3e0r C3-DEGRADING
PROTEINASE (CPPA
PROTEIN)

(Streptococcus
pneumoniae) 		PF14506
(CppA_N)
PF14507
(CppA_C) 		5 ALA A  72
LEU A 193
ILE A 150
LEU A  52
ILE A 116
 None
 1.08A 3tqbA-3e0rA:
undetectable		 3tqbA-3e0rA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 615
LEU A 680
ILE A 667
LEU A 754
ILE A 693
 None
 1.12A 3tqbA-3ecqA:
undetectable		 3tqbA-3ecqA:
7.78
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.
3hzr TRYPTOPHANYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00579
(tRNA-synt_1b) 		5 ASP A 118
THR A 379
ILE A 376
LEU A 372
ILE A 155
 None
 1.03A 3tqbA-3hzrA:
undetectable		 3tqbA-3hzrA:
17.62
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
LEU X  20
ASP X  27
LEU X  28
THR X  46
ILE X  50
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.54A 3tqbA-3i8aX:
24.6		 3tqbA-3i8aX:
41.61
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) 		9 ALA X   7
LEU X  20
ASP X  27
LYS X  32
THR X  46
ILE X  50
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.61A 3tqbA-3i8aX:
24.6		 3tqbA-3i8aX:
41.61
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) 		9 ALA A   8
LEU A  29
LYS A  33
THR A  47
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
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)
MTX  A 164 (-4.3A)
 0.60A 3tqbA-3ia4A:
25.4		 3tqbA-3ia4A:
43.09
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ALA A  70
LEU A  54
ILE A  58
ILE A  64
THR A  73
 None
 1.10A 3tqbA-3imlA:
undetectable		 3tqbA-3imlA:
17.09
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) 		8 ALA A  10
LEU A  23
LEU A  31
LYS A  35
THR A  49
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
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)
 0.76A 3tqbA-3ix9A:
24.3		 3tqbA-3ix9A:
35.94
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.
3jca INTEGRASE

(Mouse mammary
tumor virus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ALA A 124
ASP A 122
THR A  99
LEU A 106
ILE A 132
 None
 1.05A 3tqbA-3jcaA:
undetectable		 3tqbA-3jcaA:
17.10
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ASP A  37
THR A  69
ILE A  73
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
 0.71A 3tqbA-3kjrA:
20.9		 3tqbA-3kjrA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 ALA A 116
LEU A 207
THR A 203
ILE A  92
LEU A 143
 None
 1.04A 3tqbA-3mb8A:
undetectable		 3tqbA-3mb8A:
23.69
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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA

(Histophilus
somni) 		PF02661
(Fic) 		5 ALA A3695
LEU A3502
LEU A3708
ILE A3580
LEU A3775
 None
 1.12A 3tqbA-3n3uA:
undetectable		 3tqbA-3n3uA:
21.40
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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 ALA A 223
LEU A 198
THR A   4
ILE A   6
LEU A 244
 None
 0.90A 3tqbA-3oc6A:
undetectable		 3tqbA-3oc6A:
19.84
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		5 LEU A  85
LEU A  62
THR A  53
ILE A  49
LEU A 253
 None
 1.04A 3tqbA-3r89A:
undetectable		 3tqbA-3r89A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
THR A  86
LEU A  97
ARG A 100
ILE A 160
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 ( 3.9A)
WRA  A 602 (-4.2A)
 0.45A 3tqbA-3rg9A:
19.4		 3tqbA-3rg9A:
27.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rw7 NUCLEAR RNA EXPORT
FACTOR 1

(Homo sapiens) 		PF09162
(Tap-RNA_bind) 		5 ALA A 255
LEU A 212
LEU A 247
LEU A 270
ILE A 260
 None
 1.01A 3tqbA-3rw7A:
undetectable		 3tqbA-3rw7A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 3tqbA-3s47A:
undetectable		 3tqbA-3s47A:
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 ALA A  92
ILE A  12
LEU A 243
ILE A 209
THR A 213
 SO4  A 902 ( 3.8A)
None
None
None
MTA  A 901 ( 4.7A)
 0.99A 3tqbA-3t94A:
undetectable		 3tqbA-3t94A:
21.74
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)
 0.98A 3tqbA-3tq9A:
30.1		 3tqbA-3tq9A:
100.00
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) 		11 ALA A   8
LEU A  21
ASP A  28
LEU A  29
LYS A  33
THR A  47
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
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)
 0.47A 3tqbA-3tq9A:
30.1		 3tqbA-3tq9A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacteroides
abscessus) 		PF01182
(Glucosamine_iso) 		5 ALA A 225
LEU A 200
THR A   4
ILE A   6
LEU A 246
 None
 1.00A 3tqbA-3tx2A:
undetectable		 3tqbA-3tx2A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASP A  54
THR A 108
ILE A 112
LEU A 119
ARG A 122
ILE A 164
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.68A 3tqbA-3um6A:
19.8		 3tqbA-3um6A:
15.00
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 LEU A  46
ASP A  54
THR A 108
LEU A 119
ARG A 122
ILE A 164
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.55A 3tqbA-3um6A:
19.8		 3tqbA-3um6A:
15.00
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ALA A   8
ASP A  28
LYS A  33
THR A  53
ILE A  57
LEU A  64
ARG A  67
ILE A 111
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.89A 3tqbA-3vcoA:
18.2		 3tqbA-3vcoA:
28.37
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 ALA A 204
LEU A 245
THR A 226
ILE A 263
LEU A 314
 None
 1.09A 3tqbA-4c2fA:
undetectable		 3tqbA-4c2fA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvh ISOPRENOID SYNTHASE
DOMAIN-CONTAINING
PROTEIN

(Homo sapiens) 		PF01128
(IspD) 		5 ALA A 451
LEU A 411
LEU A 302
LEU A 310
ILE A 431
 None
 1.10A 3tqbA-4cvhA:
undetectable		 3tqbA-4cvhA:
16.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
LEU X  25
THR X  61
ILE X  65
LEU X  72
ARG X  75
ILE X 123
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.63A 3tqbA-4g8zX:
20.2		 3tqbA-4g8zX:
30.58
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) 		8 ALA A  11
LYS A  37
THR A  58
ILE A  62
LEU A  69
ARG A  72
ILE A 112
THR A 133
 14Q  A 202 ( 3.7A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
14Q  A 202 ( 4.6A)
 0.88A 3tqbA-4h96A:
18.0		 3tqbA-4h96A:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ALA A  11
LEU A  25
THR A  58
ILE A  62
LEU A  69
ARG A  72
ILE A 121
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 ( 4.0A)
14Q  A 302 (-4.2A)
 0.49A 3tqbA-4h98A:
19.2		 3tqbA-4h98A:
32.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 3tqbA-4hnlA:
undetectable		 3tqbA-4hnlA:
18.26
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.
4j2o UDP-N-ACETYLGLUCOSAM
INE
4,6-DEHYDRATASE/5-EP
IMERASE

(Acinetobacter
baumannii) 		PF02719
(Polysacc_synt_2)
PF08485
(Polysacc_syn_2C) 		5 LEU A 122
THR A  10
ILE A   9
LEU A   7
ILE A  77
 NAP  A 400 (-4.1A)
None
None
None
None
 1.09A 3tqbA-4j2oA:
2.1		 3tqbA-4j2oA:
18.50
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.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 145
LEU A 105
LEU A  59
ILE A 133
THR A 144
 None
 1.12A 3tqbA-4ls9A:
undetectable		 3tqbA-4ls9A:
18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
THR A  46
LEU A  57
ARG A  60
ILE A  94
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 ( 3.8A)
TMQ  A 202 (-4.2A)
 0.50A 3tqbA-4m2xA:
22.3		 3tqbA-4m2xA:
35.48
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) 		7 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 1.17A 3tqbA-4m7vA:
24.1		 3tqbA-4m7vA:
33.69
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) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.73A 3tqbA-4m7vA:
24.1		 3tqbA-4m7vA:
33.69
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) 		5 ALA A   7
LEU A  20
ASP A  27
LEU A  42
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
None
RAR  A 200 (-4.4A)
 1.09A 3tqbA-4m7vA:
24.1		 3tqbA-4m7vA:
33.69
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) 		8 ALA A   7
ASP A  27
LYS A  32
THR A  46
ILE A  50
ARG A  57
ILE A  94
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
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)
MTX  A 201 ( 4.5A)
 0.40A 3tqbA-4p68A:
24.9		 3tqbA-4p68A:
43.37
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.
4pmw DIS3-LIKE
EXONUCLEASE 2

(Mus musculus) 		PF00773
(RNB)
PF17216
(Rrp44_CSD1) 		5 ALA A 848
LEU A 298
ILE A 334
LEU A 750
THR A 847
 None
 1.10A 3tqbA-4pmwA:
undetectable		 3tqbA-4pmwA:
15.28
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.
4qiw DNA-DIRECTED RNA
POLYMERASE SUBUNIT D
DNA-DIRECTED RNA
POLYMERASE SUBUNIT N

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		5 ALA D 133
LEU D 104
LEU D  68
ILE D 118
ARG N   6
 None
 1.09A 3tqbA-4qiwD:
undetectable		 3tqbA-4qiwD:
21.37
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.
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
 1.06A 3tqbA-4twiA:
undetectable		 3tqbA-4twiA:
20.87
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.
4w5j ADENYLATE KINASE

(Streptococcus
pneumoniae) 		PF00406
(ADK) 		6 ALA A  94
LEU A   4
ASP A  98
LEU A 101
THR A  31
ILE A  29
 None
None
None
None
AP5  A 302 (-3.6A)
None
 1.33A 3tqbA-4w5jA:
3.1		 3tqbA-4w5jA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4who PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C) 		5 ALA A 172
LEU A  51
THR A 141
LEU A  68
ILE A 187
 None
 1.03A 3tqbA-4whoA:
undetectable		 3tqbA-4whoA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyk NUCLEAR RNA EXPORT
FACTOR 1

(Homo sapiens) 		PF02136
(NTF2) 		5 ALA A 255
LEU A 212
LEU A 247
LEU A 270
ILE A 260
 None
 1.08A 3tqbA-4wykA:
undetectable		 3tqbA-4wykA:
15.51
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) 		5 ALA A   6
THR A  63
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 1.01A 3tqbA-5dxvA:
15.4		 3tqbA-5dxvA:
37.19
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) 		7 ALA A   7
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.62A 3tqbA-5dxvA:
15.4		 3tqbA-5dxvA:
37.19
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) 		7 LEU A  45
THR A  63
ILE A  67
LEU A  71
ARG A  74
ILE A 111
THR A 130
 PEG  A 202 (-4.2A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.82A 3tqbA-5dxvA:
15.4		 3tqbA-5dxvA:
37.19
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) 		5 ALA A   8
THR A  47
ILE A  51
LEU A  55
THR A 114
 None
 0.54A 3tqbA-5fdaA:
17.9		 3tqbA-5fdaA:
46.30
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.
5h7n NLRP12-PYD WITH MBP
TAG

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 ALA A 416
LEU A 382
THR A 427
ILE A 426
LEU A 375
 None
 1.09A 3tqbA-5h7nA:
undetectable		 3tqbA-5h7nA:
15.77
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.
5huo NICOTINATE-NUCLEOTID
E DIPHOSPHORYLASE
(CARBOXYLATING)

(Streptococcus
pyogenes) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A 227
LEU A 260
THR A 253
LEU A 128
ILE A 249
 None
 1.11A 3tqbA-5huoA:
undetectable		 3tqbA-5huoA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA B  80
LEU B  72
ILE B  85
LEU B  93
ILE B 106
 None
 1.10A 3tqbA-5hzlB:
undetectable		 3tqbA-5hzlB:
21.50
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.
5i7k BPI FOLD-CONTAINING
FAMILY A MEMBER 1

(Homo sapiens) 		PF01273
(LBP_BPI_CETP) 		6 ALA A 161
LEU A  55
LEU A 120
ILE A 242
LEU A 246
THR A 160
 None
 1.34A 3tqbA-5i7kA:
undetectable		 3tqbA-5i7kA:
20.99
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.
5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Pyrococcus
abyssi) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		5 ALA B 495
LEU B 445
LEU B 488
LEU B 481
ILE B 500
 None
 1.08A 3tqbA-5lw7B:
2.4		 3tqbA-5lw7B:
12.98
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 5 LEU A 260
LEU A 293
ILE A 577
LEU A 593
ILE A 569
 None
 1.08A 3tqbA-5n94A:
undetectable		 3tqbA-5n94A:
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 5 ALA A 501
LEU A 484
LEU A 389
ILE A 522
ARG A 528
 None
 1.11A 3tqbA-5oynA:
undetectable		 3tqbA-5oynA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
LEU A  23
ASP A  31
THR A  83
LEU A  94
ARG A  97
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.43A 3tqbA-5t0lA:
20.8		 3tqbA-5t0lA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4q DTDP-GLUCOSE
4,6-DEHYDRATASE

(Klebsiella
pneumoniae) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A  62
ASP A  60
LEU A  59
LEU A   4
ILE A 109
 None
NAD  A 401 (-3.2A)
None
None
None
 1.01A 3tqbA-5u4qA:
1.6		 3tqbA-5u4qA:
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.
5udf LIPOPROTEIN-RELEASIN
G SYSTEM
TRANSMEMBRANE
PROTEIN LOLE

(Acinetobacter
baumannii) 		PF12704
(MacB_PCD) 		5 ALA A 225
LEU A 184
ILE A 127
LEU A 118
ILE A 162
 None
 1.08A 3tqbA-5udfA:
undetectable		 3tqbA-5udfA:
19.92
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.
5v4f PUTATIVE
TRANSLATIONAL
INHIBITOR PROTEIN

(Yersinia pestis) 		PF01042
(Ribonuc_L-PSP) 		5 LEU A  59
THR A  81
ILE A 125
LEU A  51
ILE A  94
 None
None
None
GOL  A 205 (-4.2A)
None
 1.12A 3tqbA-5v4fA:
undetectable		 3tqbA-5v4fA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xv7 SERINE-ARGININE (SR)
PROTEIN KINASE 1

(Homo sapiens) 		no annotation 5 LEU A 603
ASP A 596
LEU A 597
ILE A 569
LEU A 520
 None
 1.12A 3tqbA-5xv7A:
undetectable		 3tqbA-5xv7A:
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.
5zhg OUTER CAPSID PROTEIN
VP8*

(Rotavirus C) 		no annotation 5 LEU A  51
THR A  21
ILE A 109
ILE A  11
THR A 154
 None
 1.04A 3tqbA-5zhgA:
undetectable		 3tqbA-5zhgA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ALA A   8
ASP A  28
LYS A  33
THR A  47
LEU A  58
ARG A  61
ILE A  92
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
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)
MMV  A 202 (-4.4A)
 0.49A 3tqbA-6cxmA:
21.5		 3tqbA-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ASP A  28
LEU A  29
THR A  47
LEU A  58
ARG A  61
ILE A  92
THR A 111
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.82A 3tqbA-6cxmA:
21.5		 3tqbA-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 9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.59A 3tqbA-6e4eA:
24.5		 3tqbA-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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Mus musculus) 		no annotation 5 ALA H 236
LEU H  89
ILE H 102
LEU H 150
ILE H 241
 None
 1.08A 3tqbA-6g72H:
undetectable		 3tqbA-6g72H:
undetectable