SIMILAR PATTERNS OF AMINO ACIDS FOR 5BTG_F_LFXF101_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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A  96
ARG A  68
GLY A  66
GLU A  65
 None
 0.76A 5btgA-1bqgA:
0.0
5btgC-1bqgA:
0.0
5btgD-1bqgA:
undetectable		 5btgA-1bqgA:
23.27
5btgC-1bqgA:
23.27
5btgD-1bqgA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bue PROTEIN
(IMIPENEM-HYDROLYSIN
G BETA-LACTAMASE)

(Enterobacter
cloacae) 		PF13354
(Beta-lactamase2) 		4 ALA A  78
ARG A 153
GLY A 156
GLU A 158
 None
 0.76A 5btgA-1bueA:
undetectable
5btgC-1bueA:
0.0
5btgD-1bueA:
undetectable		 5btgA-1bueA:
18.89
5btgC-1bueA:
18.89
5btgD-1bueA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 ASP A 346
ARG A 349
GLY A 381
GLU A 380
 None
CBS  A1001 (-3.0A)
None
None
 0.90A 5btgA-1c7tA:
undetectable
5btgC-1c7tA:
0.0
5btgD-1c7tA:
undetectable		 5btgA-1c7tA:
21.29
5btgC-1c7tA:
21.29
5btgD-1c7tA:
15.47
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ALA A  97
ASP A 598
THR A 799
GLU A 797
 None
 0.91A 5btgA-1f4hA:
undetectable
5btgC-1f4hA:
undetectable
5btgD-1f4hA:
undetectable		 5btgA-1f4hA:
19.17
5btgC-1f4hA:
19.17
5btgD-1f4hA:
13.79
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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 ALA A  36
ARG A  82
GLY A  83
GLU A  86
 PPE  A 413 (-3.7A)
None
PPE  A 413 (-3.4A)
None
 0.90A 5btgA-1geyA:
1.3
5btgC-1geyA:
1.3
5btgD-1geyA:
undetectable		 5btgA-1geyA:
24.36
5btgC-1geyA:
24.36
5btgD-1geyA:
21.77
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.
1he3 BILIVERDIN IX BETA
REDUCTASE

(Homo sapiens) 		PF13460
(NAD_binding_10) 		4 ALA A   7
ASP A  54
GLY A  90
THR A  84
 None
NAP  A1206 (-3.2A)
None
None
 0.91A 5btgA-1he3A:
undetectable
5btgC-1he3A:
undetectable
5btgD-1he3A:
2.5		 5btgA-1he3A:
19.33
5btgC-1he3A:
19.33
5btgD-1he3A:
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 ALA A 644
GLY A 769
THR A 830
GLU A 874
 None
 0.90A 5btgA-1hn0A:
0.5
5btgC-1hn0A:
0.5
5btgD-1hn0A:
undetectable		 5btgA-1hn0A:
19.25
5btgC-1hn0A:
19.25
5btgD-1hn0A:
13.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1it5 PHOSPHOLIPASE A2

(Streptomyces
violaceoruber) 		PF09056
(Phospholip_A2_3) 		4 ALA A  26
ASP A  39
ARG A  69
GLY A  67
 None
 0.88A 5btgA-1it5A:
undetectable
5btgC-1it5A:
undetectable
5btgD-1it5A:
undetectable		 5btgA-1it5A:
12.33
5btgC-1it5A:
12.33
5btgD-1it5A:
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		4 ALA A 909
ASP A1010
THR A1146
GLU A1147
 None
 0.72A 5btgA-1k7yA:
0.0
5btgC-1k7yA:
0.0
5btgD-1k7yA:
4.2		 5btgA-1k7yA:
24.13
5btgC-1k7yA:
24.13
5btgD-1k7yA:
19.72
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 ALA A 460
ASP A 389
ARG A 423
GLY A 424
 None
 0.88A 5btgA-1lfwA:
2.9
5btgC-1lfwA:
2.8
5btgD-1lfwA:
2.5		 5btgA-1lfwA:
23.33
5btgC-1lfwA:
23.33
5btgD-1lfwA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m3v FUSION OF THE LIM
INTERACTING DOMAIN
OF LDB1 AND THE
N-TERMINAL LIM
DOMAIN OF LMO4

(Mus musculus) 		PF00412
(LIM) 		4 ARG A 103
ASP A  83
GLY A  98
GLU A  96
 None
 0.87A 5btgA-1m3vA:
undetectable
5btgC-1m3vA:
undetectable
5btgD-1m3vA:
undetectable		 5btgA-1m3vA:
13.84
5btgC-1m3vA:
13.84
5btgD-1m3vA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		4 ALA A 909
ASP A1010
THR A1146
GLU A1147
 None
 0.86A 5btgA-1mskA:
undetectable
5btgC-1mskA:
undetectable
5btgD-1mskA:
undetectable		 5btgA-1mskA:
21.10
5btgC-1mskA:
21.10
5btgD-1mskA:
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ARG A 121
ALA A 132
ASP A 271
ARG A 273
GLY A 728
 None
 1.49A 5btgA-1po0A:
undetectable
5btgC-1po0A:
undetectable
5btgD-1po0A:
undetectable		 5btgA-1po0A:
20.94
5btgC-1po0A:
20.94
5btgD-1po0A:
17.14
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.
1s6i CALCIUM-DEPENDENT
PROTEIN KINASE SK5

(Glycine max) 		PF13499
(EF-hand_7) 		4 ALA A 165
ASP A  92
GLY A 136
GLU A 137
 None
None
None
CA  A 192 (-2.5A)
 0.77A 5btgA-1s6iA:
undetectable
5btgC-1s6iA:
undetectable
5btgD-1s6iA:
undetectable		 5btgA-1s6iA:
15.19
5btgC-1s6iA:
15.19
5btgD-1s6iA:
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		4 ALA A 770
ARG A 741
GLY A 740
GLU A 738
 None
 0.90A 5btgA-1sj8A:
1.8
5btgC-1sj8A:
undetectable
5btgD-1sj8A:
undetectable		 5btgA-1sj8A:
20.12
5btgC-1sj8A:
20.12
5btgD-1sj8A:
22.01
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.
1vdc NADPH DEPENDENT
THIOREDOXIN
REDUCTASE

(Arabidopsis
thaliana) 		PF07992
(Pyr_redox_2) 		4 ARG A  69
GLY A  40
THR A  81
GLU A  35
 None
 0.78A 5btgA-1vdcA:
undetectable
5btgC-1vdcA:
undetectable
5btgD-1vdcA:
undetectable		 5btgA-1vdcA:
20.90
5btgC-1vdcA:
20.90
5btgD-1vdcA:
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ALA A 168
ASP A 210
ARG A 207
GLY A 161
 None
 0.77A 5btgA-1wn1A:
undetectable
5btgC-1wn1A:
undetectable
5btgD-1wn1A:
undetectable		 5btgA-1wn1A:
24.71
5btgC-1wn1A:
24.71
5btgD-1wn1A:
22.99
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ALA A  60
GLY A  54
THR A 242
GLU A  42
 None
None
K  A 413 ( 4.7A)
K  A 413 (-2.9A)
 0.93A 5btgA-1xrcA:
1.3
5btgC-1xrcA:
1.3
5btgD-1xrcA:
undetectable		 5btgA-1xrcA:
21.25
5btgC-1xrcA:
21.25
5btgD-1xrcA:
24.04
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		4 ALA A1062
ARG A1009
GLY A1010
GLU A1012
 None
None
None
CME  A1014 (-3.8A)
 0.88A 5btgA-1xv5A:
undetectable
5btgC-1xv5A:
undetectable
5btgD-1xv5A:
undetectable		 5btgA-1xv5A:
21.61
5btgC-1xv5A:
21.61
5btgD-1xv5A:
21.59
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.
1xyz 1,4-BETA-D-XYLAN-XYL
ANOHYDROLASE

(Ruminiclostridium
thermocellum) 		PF00331
(Glyco_hydro_10) 		4 ALA A 826
ARG A 758
GLY A 812
THR A 807
 None
 0.93A 5btgA-1xyzA:
undetectable
5btgC-1xyzA:
undetectable
5btgD-1xyzA:
undetectable		 5btgA-1xyzA:
20.59
5btgC-1xyzA:
20.59
5btgD-1xyzA:
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		4 ALA A 203
ARG A 193
GLY A 191
GLU A 190
 None
 0.88A 5btgA-1zlpA:
undetectable
5btgC-1zlpA:
undetectable
5btgD-1zlpA:
undetectable		 5btgA-1zlpA:
22.69
5btgC-1zlpA:
22.69
5btgD-1zlpA:
22.45
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 ALA A  73
ASP A  91
ARG A  57
GLY A  64
 None
 0.81A 5btgA-1zwxA:
undetectable
5btgC-1zwxA:
undetectable
5btgD-1zwxA:
undetectable		 5btgA-1zwxA:
18.54
5btgC-1zwxA:
18.54
5btgD-1zwxA:
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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		4 ALA A 182
ASP A 214
THR A 159
GLU A 162
 None
 0.80A 5btgA-2aaaA:
undetectable
5btgC-2aaaA:
undetectable
5btgD-2aaaA:
undetectable		 5btgA-2aaaA:
22.85
5btgC-2aaaA:
22.85
5btgD-2aaaA:
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.
2cvh DNA REPAIR AND
RECOMBINATION
PROTEIN RADB

(Thermococcus
kodakarensis) 		PF08423
(Rad51) 		4 ALA A  76
ARG A 214
GLY A 215
GLU A 217
 None
 0.76A 5btgA-2cvhA:
undetectable
5btgC-2cvhA:
undetectable
5btgD-2cvhA:
undetectable		 5btgA-2cvhA:
20.87
5btgC-2cvhA:
20.87
5btgD-2cvhA:
21.71
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 537
ASP A 521
ARG A 438
GLY A 355
 None
 0.93A 5btgA-2fknA:
1.3
5btgC-2fknA:
undetectable
5btgD-2fknA:
undetectable		 5btgA-2fknA:
22.41
5btgC-2fknA:
22.41
5btgD-2fknA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvg ENDOGLUCANASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		4 ALA A 243
ASP A 166
GLY A 170
THR A 193
 None
None
None
EDO  A 342 ( 4.0A)
 0.90A 5btgA-2fvgA:
undetectable
5btgC-2fvgA:
undetectable
5btgD-2fvgA:
2.2		 5btgA-2fvgA:
22.29
5btgC-2fvgA:
22.29
5btgD-2fvgA:
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.
2glx 1,5-ANHYDRO-D-FRUCTO
SE REDUCTASE

(Ensifer
adhaerens) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 286
ARG A  22
GLY A  26
GLU A  27
 None
 0.82A 5btgA-2glxA:
undetectable
5btgC-2glxA:
undetectable
5btgD-2glxA:
1.8		 5btgA-2glxA:
24.04
5btgC-2glxA:
24.04
5btgD-2glxA:
23.30
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.
2htm PUTATIVE THIAMINE
BIOSYNTHESIS PROTEIN
THIS
THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF02597
(ThiS)
PF05690
(ThiG) 		5 ALA A  37
ASP A 184
GLY E  64
THR A  70
GLU A  98
 None
 1.44A 5btgA-2htmA:
undetectable
5btgC-2htmA:
undetectable
5btgD-2htmA:
undetectable		 5btgA-2htmA:
21.01
5btgC-2htmA:
21.01
5btgD-2htmA:
25.33
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.
2ioy PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caldanaerobacter
subterraneus) 		PF13407
(Peripla_BP_4) 		4 ALA A 135
ASP A 104
GLY A 109
GLU A 110
 RIP  A 401 ( 4.8A)
None
None
None
 0.93A 5btgA-2ioyA:
undetectable
5btgC-2ioyA:
undetectable
5btgD-2ioyA:
3.7		 5btgA-2ioyA:
21.19
5btgC-2ioyA:
21.19
5btgD-2ioyA:
24.52
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.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 ALA A 185
ARG A 235
THR A 207
GLU A 208
 None
 0.74A 5btgA-2isnA:
undetectable
5btgC-2isnA:
undetectable
5btgD-2isnA:
undetectable		 5btgA-2isnA:
21.97
5btgC-2isnA:
21.97
5btgD-2isnA:
21.86
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.
2o2k METHIONINE SYNTHASE

(Homo sapiens) 		PF02965
(Met_synt_B12) 		4 ALA A 935
ASP A1043
THR A1184
GLU A1185
 None
 0.85A 5btgA-2o2kA:
undetectable
5btgC-2o2kA:
undetectable
5btgD-2o2kA:
undetectable		 5btgA-2o2kA:
21.26
5btgC-2o2kA:
21.26
5btgD-2o2kA:
22.06
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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		4 ARG A 338
ASP A 241
ARG A 218
GLU A 222
 None
 0.83A 5btgA-2o4cA:
undetectable
5btgC-2o4cA:
undetectable
5btgD-2o4cA:
undetectable		 5btgA-2o4cA:
24.32
5btgC-2o4cA:
24.32
5btgD-2o4cA:
24.48
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.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		4 ALA A 103
ARG A 185
GLY A 182
GLU A 181
 None
 0.86A 5btgA-2o78A:
undetectable
5btgC-2o78A:
undetectable
5btgD-2o78A:
undetectable		 5btgA-2o78A:
26.07
5btgC-2o78A:
26.07
5btgD-2o78A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 ALA A  93
ARG A  85
GLY A  84
GLU A 112
 None
None
SAM  A 300 (-3.5A)
None
 0.91A 5btgA-2oxtA:
undetectable
5btgC-2oxtA:
undetectable
5btgD-2oxtA:
undetectable		 5btgA-2oxtA:
20.28
5btgC-2oxtA:
20.28
5btgD-2oxtA:
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ALA A 227
ASP A 246
GLY A 253
THR A 259
 None
None
None
FAD  A 701 (-3.2A)
 0.89A 5btgA-2panA:
undetectable
5btgC-2panA:
undetectable
5btgD-2panA:
undetectable		 5btgA-2panA:
24.57
5btgC-2panA:
24.57
5btgD-2panA:
18.84
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.
2w0p FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 ALA A2266
ASP A2290
ARG A2288
GLU A2286
 None
 0.78A 5btgA-2w0pA:
undetectable
5btgC-2w0pA:
undetectable
5btgD-2w0pA:
undetectable		 5btgA-2w0pA:
12.02
5btgC-2w0pA:
12.02
5btgD-2w0pA:
14.52
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 ALA A 183
ASP A 187
ARG A 196
GLY A 252
GLU A 253
 None
 1.13A 5btgA-2w9mA:
undetectable
5btgC-2w9mA:
undetectable
5btgD-2w9mA:
undetectable		 5btgA-2w9mA:
24.64
5btgC-2w9mA:
24.64
5btgD-2w9mA:
21.35
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		4 ALA A 255
ASP A  61
GLY A  24
GLU A  28
 None
FMT  A 402 ( 4.1A)
None
MN  A 401 (-3.1A)
 0.91A 5btgA-2wocA:
undetectable
5btgC-2wocA:
undetectable
5btgD-2wocA:
undetectable		 5btgA-2wocA:
21.33
5btgC-2wocA:
21.33
5btgD-2wocA:
21.68
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		4 ALA A 170
ASP A 276
ARG A 104
GLY A 298
 None
 0.93A 5btgA-2wu8A:
undetectable
5btgC-2wu8A:
undetectable
5btgD-2wu8A:
2.5		 5btgA-2wu8A:
24.22
5btgC-2wu8A:
24.22
5btgD-2wu8A:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ASP A 397
ARG A 418
GLY A 419
GLU A 437
 None
 0.76A 5btgA-2xkkA:
48.1
5btgC-2xkkA:
48.1
5btgD-2xkkA:
26.2		 5btgA-2xkkA:
30.59
5btgC-2xkkA:
30.59
5btgD-2xkkA:
20.79
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ARG A 218
GLY A 217
THR A  98
GLU A 215
 None
 0.88A 5btgA-2yijA:
undetectable
5btgC-2yijA:
undetectable
5btgD-2yijA:
undetectable		 5btgA-2yijA:
22.20
5btgC-2yijA:
22.20
5btgD-2yijA:
20.43
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.
2yxg DIHYDRODIPICOLINATE
SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00701
(DHDPS) 		4 ALA A  84
ARG A 115
GLY A 113
GLU A 112
 None
 0.81A 5btgA-2yxgA:
undetectable
5btgC-2yxgA:
undetectable
5btgD-2yxgA:
undetectable		 5btgA-2yxgA:
22.17
5btgC-2yxgA:
22.17
5btgD-2yxgA:
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		4 ALA A 263
ASP A  58
GLY A  25
GLU A  29
 None
GD3  A 502 (-3.1A)
None
GD3  A 501 (-3.0A)
 0.85A 5btgA-2yzwA:
undetectable
5btgC-2yzwA:
undetectable
5btgD-2yzwA:
undetectable		 5btgA-2yzwA:
19.88
5btgC-2yzwA:
19.88
5btgD-2yzwA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab0 ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN
BCLA PROTEIN

(Bacillus
anthracis;
Mus musculus) 		PF07686
(V-set)
no annotation 		4 ALA C  26
GLY A 157
THR A 125
GLU A 190
 None
 0.72A 5btgA-3ab0C:
undetectable
5btgC-3ab0C:
undetectable
5btgD-3ab0C:
undetectable		 5btgA-3ab0C:
13.29
5btgC-3ab0C:
13.29
5btgD-3ab0C:
14.23
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		4 ALA A 713
ARG A 707
GLY A 708
GLU A 550
 None
 0.90A 5btgA-3bdlA:
undetectable
5btgC-3bdlA:
undetectable
5btgD-3bdlA:
undetectable		 5btgA-3bdlA:
22.04
5btgC-3bdlA:
22.04
5btgD-3bdlA:
21.25
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.
3c3n DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF01180
(DHO_dh) 		4 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.92A 5btgA-3c3nA:
undetectable
5btgC-3c3nA:
undetectable
5btgD-3c3nA:
undetectable		 5btgA-3c3nA:
20.95
5btgC-3c3nA:
20.95
5btgD-3c3nA:
21.00
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.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		4 ALA A  36
ASP A  52
GLY A  79
GLU A  78
 None
 0.80A 5btgA-3c85A:
undetectable
5btgC-3c85A:
undetectable
5btgD-3c85A:
3.0		 5btgA-3c85A:
17.52
5btgC-3c85A:
17.52
5btgD-3c85A:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 ALA A 451
ASP A 393
ARG A 515
GLY A 514
GLU A 513
 None
None
TRS  A6646 (-2.8A)
None
None
 1.41A 5btgA-3czeA:
undetectable
5btgC-3czeA:
undetectable
5btgD-3czeA:
2.1		 5btgA-3czeA:
24.23
5btgC-3czeA:
24.23
5btgD-3czeA:
17.74
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		4 ALA A 211
ASP A 237
GLY A 249
GLU A 250
 None
 0.90A 5btgA-3d1rA:
undetectable
5btgC-3d1rA:
undetectable
5btgD-3d1rA:
undetectable		 5btgA-3d1rA:
20.74
5btgC-3d1rA:
20.74
5btgD-3d1rA:
23.15
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.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ALA A 227
ARG A 378
GLY A 376
GLU A  85
 None
 0.84A 5btgA-3da1A:
undetectable
5btgC-3da1A:
undetectable
5btgD-3da1A:
undetectable		 5btgA-3da1A:
23.91
5btgC-3da1A:
23.91
5btgD-3da1A:
19.35
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.
3dm3 REPLICATION FACTOR A

(Methanocaldococcus
jannaschii) 		PF01336
(tRNA_anti-codon) 		4 ARG A  80
GLY A  82
THR A  57
GLU A  88
 None
NA  A 901 (-3.5A)
None
None
 0.90A 5btgA-3dm3A:
undetectable
5btgC-3dm3A:
undetectable
5btgD-3dm3A:
undetectable		 5btgA-3dm3A:
13.06
5btgC-3dm3A:
13.06
5btgD-3dm3A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		4 ALA A 112
ASP A 117
ARG A 265
GLU A 202
 None
 0.90A 5btgA-3epmA:
undetectable
5btgC-3epmA:
undetectable
5btgD-3epmA:
undetectable		 5btgA-3epmA:
22.77
5btgC-3epmA:
22.77
5btgD-3epmA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		4 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.83A 5btgA-3epmA:
undetectable
5btgC-3epmA:
undetectable
5btgD-3epmA:
undetectable		 5btgA-3epmA:
22.77
5btgC-3epmA:
22.77
5btgD-3epmA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g2e OORC SUBUNIT OF
2-OXOGLUTARATE:ACCEP
TOR OXIDOREDUCTASE

(Campylobacter
jejuni) 		PF01558
(POR) 		4 ASP A  56
ARG A  31
GLY A  30
GLU A  29
 None
 0.86A 5btgA-3g2eA:
undetectable
5btgC-3g2eA:
undetectable
5btgD-3g2eA:
undetectable		 5btgA-3g2eA:
17.82
5btgC-3g2eA:
17.82
5btgD-3g2eA:
21.79
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.
3gs9 PROTEIN GP18

(Listeria
monocytogenes) 		PF06605
(Prophage_tail) 		4 ASP A 121
ARG A 123
GLY A 124
THR A  94
 None
 0.92A 5btgA-3gs9A:
undetectable
5btgC-3gs9A:
undetectable
5btgD-3gs9A:
undetectable		 5btgA-3gs9A:
20.20
5btgC-3gs9A:
20.20
5btgD-3gs9A:
20.92
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ALA A 229
ASP A 342
GLY A 339
GLU A 183
 None
 0.93A 5btgA-3hriA:
1.4
5btgC-3hriA:
1.4
5btgD-3hriA:
undetectable		 5btgA-3hriA:
21.92
5btgC-3hriA:
21.92
5btgD-3hriA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  56
ASP A  14
ARG A  43
GLY A  52
GLU A  51
 None
 1.44A 5btgA-3i6eA:
undetectable
5btgC-3i6eA:
undetectable
5btgD-3i6eA:
2.8		 5btgA-3i6eA:
25.49
5btgC-3i6eA:
25.49
5btgD-3i6eA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 ALA A  82
GLY A 161
THR A 188
GLU A 186
 None
None
U  E   1 ( 4.9A)
None
 0.92A 5btgA-3ie1A:
undetectable
5btgC-3ie1A:
undetectable
5btgD-3ie1A:
undetectable		 5btgA-3ie1A:
22.93
5btgC-3ie1A:
22.93
5btgD-3ie1A:
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		4 ALA A 391
ARG A 431
GLY A 428
GLU A 427
 None
 0.93A 5btgA-3ihaA:
undetectable
5btgC-3ihaA:
undetectable
5btgD-3ihaA:
undetectable		 5btgA-3ihaA:
23.84
5btgC-3ihaA:
23.84
5btgD-3ihaA:
21.90
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ARG B 285
ALA B 369
ASP B 278
GLY B 281
GLU B 398
 None
 1.43A 5btgA-3it4B:
undetectable
5btgC-3it4B:
undetectable
5btgD-3it4B:
undetectable		 5btgA-3it4B:
20.20
5btgC-3it4B:
20.20
5btgD-3it4B:
22.01
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL

(Schizosaccharomyces
pombe) 		PF00682
(HMGL-like) 		5 ALA A 236
ASP A 228
ARG A 257
GLY A 255
GLU A 256
 None
 1.42A 5btgA-3ivuA:
undetectable
5btgC-3ivuA:
undetectable
5btgD-3ivuA:
undetectable		 5btgA-3ivuA:
24.29
5btgC-3ivuA:
24.29
5btgD-3ivuA:
21.00
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		4 ASP A 627
ARG A 623
GLY A 621
THR A 645
 None
None
B12  A1801 (-3.3A)
None
 0.77A 5btgA-3koyA:
undetectable
5btgC-3koyA:
undetectable
5btgD-3koyA:
3.6		 5btgA-3koyA:
22.40
5btgC-3koyA:
22.40
5btgD-3koyA:
18.36
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		5 ALA A 123
ASP A 114
ARG A  64
GLY A  65
GLU A  62
 None
 1.19A 5btgA-3krzA:
undetectable
5btgC-3krzA:
undetectable
5btgD-3krzA:
undetectable		 5btgA-3krzA:
22.49
5btgC-3krzA:
22.49
5btgD-3krzA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ly1 PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Pectobacterium
atrosepticum) 		PF00155
(Aminotran_1_2) 		4 ALA A 256
ASP A 310
GLY A 332
GLU A 331
 None
 0.85A 5btgA-3ly1A:
3.5
5btgC-3ly1A:
3.4
5btgD-3ly1A:
undetectable		 5btgA-3ly1A:
22.31
5btgC-3ly1A:
22.31
5btgD-3ly1A:
23.28
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.
3m07 PUTATIVE ALPHA
AMYLASE

(Salmonella
enterica) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 ALA A 338
ASP A 402
GLY A 396
THR A 479
 None
 0.90A 5btgA-3m07A:
undetectable
5btgC-3m07A:
undetectable
5btgD-3m07A:
undetectable		 5btgA-3m07A:
22.35
5btgC-3m07A:
22.35
5btgD-3m07A:
18.43
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ALA A 300
ASP A 332
ARG A 328
GLY A 373
 None
 0.90A 5btgA-3m4pA:
undetectable
5btgC-3m4pA:
undetectable
5btgD-3m4pA:
undetectable		 5btgA-3m4pA:
19.22
5btgC-3m4pA:
19.22
5btgD-3m4pA:
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.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 ALA A 173
ASP A 297
ARG A 299
GLY A 300
 None
 0.51A 5btgA-3na0A:
1.7
5btgC-3na0A:
1.7
5btgD-3na0A:
undetectable		 5btgA-3na0A:
22.28
5btgC-3na0A:
22.28
5btgD-3na0A:
21.44
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ASP A 653
ARG A 687
GLY A 685
GLU A 187
 None
 0.93A 5btgA-3nzuA:
undetectable
5btgC-3nzuA:
1.5
5btgD-3nzuA:
undetectable		 5btgA-3nzuA:
19.26
5btgC-3nzuA:
19.26
5btgD-3nzuA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		4 ALA A  90
ARG A  62
GLY A  60
GLU A  59
 None
 0.77A 5btgA-3p0wA:
undetectable
5btgC-3p0wA:
undetectable
5btgD-3p0wA:
undetectable		 5btgA-3p0wA:
23.40
5btgC-3p0wA:
23.40
5btgD-3p0wA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		4 ALA A 387
ASP A 198
ARG A 410
GLU A  68
 None
 0.90A 5btgA-3qtgA:
undetectable
5btgC-3qtgA:
undetectable
5btgD-3qtgA:
undetectable		 5btgA-3qtgA:
21.96
5btgC-3qtgA:
21.96
5btgD-3qtgA:
19.53
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.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 ARG A 450
ASP A 476
ARG A 472
GLY A 469
 None
 0.86A 5btgA-3qxmA:
undetectable
5btgC-3qxmA:
undetectable
5btgD-3qxmA:
undetectable		 5btgA-3qxmA:
22.01
5btgC-3qxmA:
22.01
5btgD-3qxmA:
25.25
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		4 ALA A 217
ARG A 200
THR A 336
GLU A 338
 None
 0.80A 5btgA-3rc3A:
undetectable
5btgC-3rc3A:
undetectable
5btgD-3rc3A:
2.4		 5btgA-3rc3A:
22.36
5btgC-3rc3A:
22.36
5btgD-3rc3A:
16.42
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.
3rxy NIF3 PROTEIN

(Sphaerobacter
thermophilus) 		no annotation 4 ALA A 167
ARG A 141
GLY A 140
GLU A 138
 None
 0.74A 5btgA-3rxyA:
undetectable
5btgC-3rxyA:
undetectable
5btgD-3rxyA:
undetectable		 5btgA-3rxyA:
20.68
5btgC-3rxyA:
20.68
5btgD-3rxyA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		4 ARG A  48
ARG A 289
THR A 238
GLU A 258
 None
 0.89A 5btgA-3t7vA:
undetectable
5btgC-3t7vA:
undetectable
5btgD-3t7vA:
undetectable		 5btgA-3t7vA:
24.86
5btgC-3t7vA:
24.86
5btgD-3t7vA:
23.90
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		4 ALA A 261
GLY A 237
THR A 210
GLU A 213
 SO4  A 331 (-3.8A)
None
None
None
 0.89A 5btgA-3tt2A:
undetectable
5btgC-3tt2A:
undetectable
5btgD-3tt2A:
undetectable		 5btgA-3tt2A:
21.29
5btgC-3tt2A:
21.29
5btgD-3tt2A:
22.92
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASP A 194
ARG A 142
GLY A 487
GLU A 145
 None
BGC  A 776 (-2.9A)
None
None
 0.86A 5btgA-3u4aA:
undetectable
5btgC-3u4aA:
undetectable
5btgD-3u4aA:
2.6		 5btgA-3u4aA:
21.82
5btgC-3u4aA:
21.82
5btgD-3u4aA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ALA A  46
ASP A  93
ARG A 307
GLU A 304
 None
 0.92A 5btgA-3u95A:
undetectable
5btgC-3u95A:
undetectable
5btgD-3u95A:
undetectable		 5btgA-3u95A:
23.29
5btgC-3u95A:
23.29
5btgD-3u95A:
19.74
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.
3ue1 PENICILLIN-BINDING
PROTEIN 1A

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		4 ARG A 294
ALA A 290
GLY A 709
THR A 435
 None
None
UE1  A 998 (-3.9A)
None
 0.83A 5btgA-3ue1A:
undetectable
5btgC-3ue1A:
undetectable
5btgD-3ue1A:
undetectable		 5btgA-3ue1A:
21.90
5btgC-3ue1A:
21.90
5btgD-3ue1A:
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.
3v65 AGRIN

(Rattus
norvegicus) 		PF00054
(Laminin_G_1) 		4 ARG A1859
ASP A1922
ARG A1921
THR A1947
 None
 0.89A 5btgA-3v65A:
undetectable
5btgC-3v65A:
undetectable
5btgD-3v65A:
undetectable		 5btgA-3v65A:
18.07
5btgC-3v65A:
18.07
5btgD-3v65A:
23.11
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 ALA A 192
ARG A 234
GLY A 224
GLU A 223
 None
 0.77A 5btgA-3wqyA:
3.1
5btgC-3wqyA:
2.8
5btgD-3wqyA:
undetectable		 5btgA-3wqyA:
21.70
5btgC-3wqyA:
21.70
5btgD-3wqyA:
15.51
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ALA A 353
ASP A  51
GLY A 149
THR A1238
 FAD  A3005 (-3.6A)
None
None
None
 0.78A 5btgA-3zyvA:
undetectable
5btgC-3zyvA:
undetectable
5btgD-3zyvA:
undetectable		 5btgA-3zyvA:
16.25
5btgC-3zyvA:
16.25
5btgD-3zyvA:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 ARG A 319
GLY A 271
THR A 298
GLU A 292
 None
 0.73A 5btgA-4a7kA:
undetectable
5btgC-4a7kA:
undetectable
5btgD-4a7kA:
undetectable		 5btgA-4a7kA:
20.49
5btgC-4a7kA:
20.49
5btgD-4a7kA:
16.46
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.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		4 ALA A  76
ASP A 104
ARG A  49
GLY A  50
 None
 0.86A 5btgA-4b6zA:
undetectable
5btgC-4b6zA:
undetectable
5btgD-4b6zA:
3.8		 5btgA-4b6zA:
21.58
5btgC-4b6zA:
21.58
5btgD-4b6zA:
20.20
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.
4c2x GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 2

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 ALA A 438
ARG A 339
GLY A 337
GLU A 388
 None
 0.93A 5btgA-4c2xA:
undetectable
5btgC-4c2xA:
undetectable
5btgD-4c2xA:
undetectable		 5btgA-4c2xA:
24.23
5btgC-4c2xA:
24.23
5btgD-4c2xA:
22.43
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		4 ASP A 187
ARG A 169
GLY A 192
GLU A 193
 None
 0.91A 5btgA-4e09A:
undetectable
5btgC-4e09A:
undetectable
5btgD-4e09A:
2.3		 5btgA-4e09A:
19.32
5btgC-4e09A:
19.32
5btgD-4e09A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ARG A  23
ALA A 315
ARG A  53
GLY A 169
 None
 0.91A 5btgA-4ewpA:
undetectable
5btgC-4ewpA:
undetectable
5btgD-4ewpA:
undetectable		 5btgA-4ewpA:
25.51
5btgC-4ewpA:
25.51
5btgD-4ewpA:
21.86
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		5 ARG A 110
ALA A 106
ARG A  66
GLY A  65
GLU A  63
 None
 1.49A 5btgA-4go4A:
undetectable
5btgC-4go4A:
undetectable
5btgD-4go4A:
undetectable		 5btgA-4go4A:
22.28
5btgC-4go4A:
22.28
5btgD-4go4A:
21.22
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 ASP A 764
ARG A 767
GLY A 768
THR A 629
GLU A 756
 None
 1.27A 5btgA-4kf7A:
undetectable
5btgC-4kf7A:
undetectable
5btgD-4kf7A:
undetectable		 5btgA-4kf7A:
18.93
5btgC-4kf7A:
18.93
5btgD-4kf7A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 ALA A 705
ARG A 826
GLY A 827
GLU A 830
 None
 0.93A 5btgA-4lglA:
2.5
5btgC-4lglA:
2.5
5btgD-4lglA:
undetectable		 5btgA-4lglA:
21.85
5btgC-4lglA:
21.85
5btgD-4lglA:
12.92
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ALA A  61
ASP A  30
ARG A  21
GLU A  19
 None
 0.92A 5btgA-4lihA:
undetectable
5btgC-4lihA:
undetectable
5btgD-4lihA:
2.1		 5btgA-4lihA:
23.50
5btgC-4lihA:
23.50
5btgD-4lihA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		4 ALA A 221
ASP A 148
ARG A 301
GLY A 236
 None
CA  A 401 (-3.7A)
None
None
 0.82A 5btgA-4o6mA:
undetectable
5btgC-4o6mA:
undetectable
5btgD-4o6mA:
undetectable		 5btgA-4o6mA:
20.70
5btgC-4o6mA:
20.70
5btgD-4o6mA:
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.
4p3w FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 ALA A2266
ASP A2290
ARG A2288
GLU A2286
 None
 0.73A 5btgA-4p3wA:
undetectable
5btgC-4p3wA:
undetectable
5btgD-4p3wA:
undetectable		 5btgA-4p3wA:
15.51
5btgC-4p3wA:
15.51
5btgD-4p3wA:
23.31
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 ALA A 421
ARG A 306
GLY A 304
GLU A 360
 None
 0.93A 5btgA-4qbjA:
undetectable
5btgC-4qbjA:
undetectable
5btgD-4qbjA:
undetectable		 5btgA-4qbjA:
21.30
5btgC-4qbjA:
21.30
5btgD-4qbjA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ALA B 531
ARG B 472
GLY B 469
GLU B 468
 None
 0.92A 5btgA-4r3zB:
2.3
5btgC-4r3zB:
2.3
5btgD-4r3zB:
3.7		 5btgA-4r3zB:
23.55
5btgC-4r3zB:
23.55
5btgD-4r3zB:
18.45
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.
4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ALA B 532
ASP B 475
GLY B 469
GLU B 468
 None
 0.91A 5btgA-4r3zB:
2.3
5btgC-4r3zB:
2.3
5btgD-4r3zB:
3.7		 5btgA-4r3zB:
23.55
5btgC-4r3zB:
23.55
5btgD-4r3zB:
18.45
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.
4rgz XAA-PRO
AMINOPEPTIDASE

(Thermococcus
sibiricus) 		no annotation 4 ALA A 180
ASP A 224
ARG A 221
GLY A 173
 None
 0.85A 5btgA-4rgzA:
undetectable
5btgC-4rgzA:
undetectable
5btgD-4rgzA:
undetectable		 5btgA-4rgzA:
21.59
5btgC-4rgzA:
21.59
5btgD-4rgzA:
22.46
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A 384
ASP A  95
GLY A  91
GLU A  89
 None
 0.90A 5btgA-4rvwA:
undetectable
5btgC-4rvwA:
undetectable
5btgD-4rvwA:
undetectable		 5btgA-4rvwA:
21.56
5btgC-4rvwA:
21.56
5btgD-4rvwA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		4 ALA A 230
ARG A 185
GLY A 184
GLU A 182
 None
 0.89A 5btgA-4s3kA:
undetectable
5btgC-4s3kA:
undetectable
5btgD-4s3kA:
undetectable		 5btgA-4s3kA:
22.14
5btgC-4s3kA:
22.14
5btgD-4s3kA:
23.40
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.
4yrp HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
cruzi) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ARG A 196
ASP A 304
GLY A 301
GLU A 298
 SO4  A 508 ( 4.0A)
None
None
None
 0.85A 5btgA-4yrpA:
undetectable
5btgC-4yrpA:
undetectable
5btgD-4yrpA:
undetectable		 5btgA-4yrpA:
22.02
5btgC-4yrpA:
22.02
5btgD-4yrpA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		4 ALA D 213
ASP D  14
GLY D 228
GLU D 111
 None
 0.90A 5btgA-5disD:
undetectable
5btgC-5disD:
undetectable
5btgD-5disD:
undetectable		 5btgA-5disD:
21.10
5btgC-5disD:
21.10
5btgD-5disD:
20.21