SIMILAR PATTERNS OF AMINO ACIDS FOR 5BTA_G_MFXG101

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.
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
 0.83A 5btaA-1c7tA:
0.0
5btaC-1c7tA:
0.0
5btaD-1c7tA:
undetectable		 5btaA-1c7tA:
21.46
5btaC-1c7tA:
21.46
5btaD-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.
1ef7 CATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 SER A 183
ARG A 138
GLY A 137
GLU A 139
 None
 0.94A 5btaA-1ef7A:
0.0
5btaC-1ef7A:
0.0
5btaD-1ef7A:
undetectable		 5btaA-1ef7A:
20.59
5btaC-1ef7A:
20.59
5btaD-1ef7A:
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 SER A 283
ARG A 257
GLY A 259
GLU A 107
 None
 0.95A 5btaA-1fcdA:
undetectable
5btaC-1fcdA:
0.0
5btaD-1fcdA:
undetectable		 5btaA-1fcdA:
22.28
5btaC-1fcdA:
22.28
5btaD-1fcdA:
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.
1kvk MEVALONATE KINASE

(Rattus
norvegicus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 SER A 222
ARG A 277
GLY A 280
GLU A 281
 None
 0.91A 5btaA-1kvkA:
1.9
5btaC-1kvkA:
1.1
5btaD-1kvkA:
undetectable		 5btaA-1kvkA:
21.55
5btaC-1kvkA:
21.55
5btaD-1kvkA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 5btaA-1m3vA:
undetectable
5btaC-1m3vA:
undetectable
5btaD-1m3vA:
undetectable		 5btaA-1m3vA:
14.05
5btaC-1m3vA:
14.05
5btaD-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.
1rcu CONSERVED
HYPOTHETICAL PROTEIN
VT76

(Thermotoga
maritima) 		PF03641
(Lysine_decarbox) 		5 SER A 102
ASP A  45
ARG A  44
GLY A  43
GLU A  70
 None
 1.48A 5btaA-1rcuA:
undetectable
5btaC-1rcuA:
undetectable
5btaD-1rcuA:
2.0		 5btaA-1rcuA:
19.79
5btaC-1rcuA:
19.79
5btaD-1rcuA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 SER A 384
ASP A 574
ARG A 570
GLY A 568
GLU A 567
 None
 1.35A 5btaA-1rqgA:
0.0
5btaC-1rqgA:
0.0
5btaD-1rqgA:
2.7		 5btaA-1rqgA:
21.17
5btaC-1rqgA:
21.17
5btaD-1rqgA:
17.69
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 SER A 386
ASP A 574
ARG A 570
GLY A 568
GLU A 567
 None
 1.22A 5btaA-1rqgA:
0.0
5btaC-1rqgA:
0.0
5btaD-1rqgA:
2.7		 5btaA-1rqgA:
21.17
5btaC-1rqgA:
21.17
5btaD-1rqgA:
17.69
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ARG A 303
ASP A  22
THR A 287
GLU A  15
 None
 0.96A 5btaA-1up4A:
0.0
5btaC-1up4A:
0.0
5btaD-1up4A:
undetectable		 5btaA-1up4A:
22.62
5btaC-1up4A:
22.62
5btaD-1up4A:
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.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		4 ARG A 285
ARG A 231
GLY A 230
GLU A 228
 None
 0.95A 5btaA-1vaxA:
0.9
5btaC-1vaxA:
1.0
5btaD-1vaxA:
undetectable		 5btaA-1vaxA:
21.63
5btaC-1vaxA:
21.63
5btaD-1vaxA:
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.
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
 0.68A 5btaA-1vdcA:
0.0
5btaC-1vdcA:
0.0
5btaD-1vdcA:
undetectable		 5btaA-1vdcA:
20.90
5btaC-1vdcA:
20.90
5btaD-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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		4 ARG A 147
SER A 186
ASP A 179
THR A 205
 None
 0.98A 5btaA-1wd3A:
undetectable
5btaC-1wd3A:
undetectable
5btaD-1wd3A:
2.1		 5btaA-1wd3A:
22.08
5btaC-1wd3A:
22.08
5btaD-1wd3A:
20.67
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.
1yvp 60-KDA SS-A/RO
RIBONUCLEOPROTEIN

(Xenopus laevis) 		PF05731
(TROVE) 		4 ASP A 523
ARG A  85
GLY A  84
GLU A  83
 None
None
C  G   8 ( 4.5A)
None
 0.90A 5btaA-1yvpA:
undetectable
5btaC-1yvpA:
undetectable
5btaD-1yvpA:
2.5		 5btaA-1yvpA:
22.26
5btaC-1yvpA:
22.26
5btaD-1yvpA:
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		4 ARG A  54
GLY A 215
THR A 160
GLU A 192
 None
 0.90A 5btaA-1yxyA:
undetectable
5btaC-1yxyA:
undetectable
5btaD-1yxyA:
undetectable		 5btaA-1yxyA:
19.64
5btaC-1yxyA:
19.64
5btaD-1yxyA:
24.83
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.
2b81 LUCIFERASE-LIKE
MONOOXYGENASE

(Bacillus cereus) 		PF00296
(Bac_luciferase) 		4 ASP A 253
ARG A 270
GLY A 272
GLU A 260
 None
 0.98A 5btaA-2b81A:
undetectable
5btaC-2b81A:
undetectable
5btaD-2b81A:
undetectable		 5btaA-2b81A:
22.44
5btaC-2b81A:
22.44
5btaD-2b81A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 ARG A  82
ARG A  89
GLY A  79
GLU A  78
 None
 0.86A 5btaA-2fwvA:
undetectable
5btaC-2fwvA:
undetectable
5btaD-2fwvA:
undetectable		 5btaA-2fwvA:
19.28
5btaC-2fwvA:
19.28
5btaD-2fwvA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Anabaena sp.) 		PF05996
(Fe_bilin_red) 		4 SER A 166
ARG A 176
GLY A 175
GLU A 179
 None
 0.91A 5btaA-2g18A:
undetectable
5btaC-2g18A:
undetectable
5btaD-2g18A:
undetectable		 5btaA-2g18A:
20.24
5btaC-2g18A:
20.24
5btaD-2g18A:
22.38
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.
2gkw TNF
RECEPTOR-ASSOCIATED
FACTOR 3

(Homo sapiens) 		no annotation 4 SER A 454
ASP A 419
GLY A 462
GLU A 463
 None
 0.99A 5btaA-2gkwA:
undetectable
5btaC-2gkwA:
undetectable
5btaD-2gkwA:
undetectable		 5btaA-2gkwA:
17.36
5btaC-2gkwA:
17.36
5btaD-2gkwA:
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.
2gzh RAS-RELATED PROTEIN
RAB-11A

(Homo sapiens) 		PF00071
(Ras) 		4 ARG A 132
SER A 126
ASP A 137
GLU A 144
 None
 0.98A 5btaA-2gzhA:
undetectable
5btaC-2gzhA:
undetectable
5btaD-2gzhA:
3.5		 5btaA-2gzhA:
17.21
5btaC-2gzhA:
17.21
5btaD-2gzhA:
24.42
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		4 SER A 431
GLY A 471
THR A 246
GLU A 269
 None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
 0.98A 5btaA-2j6lA:
undetectable
5btaC-2j6lA:
undetectable
5btaD-2j6lA:
2.1		 5btaA-2j6lA:
22.97
5btaC-2j6lA:
22.97
5btaD-2j6lA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lst THIOREDOXIN

(Thermus
thermophilus) 		PF13899
(Thioredoxin_7) 		4 ARG A 102
ARG A  97
GLY A  96
GLU A  94
 None
 0.98A 5btaA-2lstA:
undetectable
5btaC-2lstA:
undetectable
5btaD-2lstA:
undetectable		 5btaA-2lstA:
13.69
5btaC-2lstA:
13.69
5btaD-2lstA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nly DIVERGENT
POLYSACCHARIDE
DEACETYLASE
HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF04748
(Polysacc_deac_2) 		4 SER A 193
ASP A  39
GLY A 217
THR A 183
 None
ZN  A 300 ( 4.5A)
None
None
 0.95A 5btaA-2nlyA:
undetectable
5btaC-2nlyA:
undetectable
5btaD-2nlyA:
undetectable		 5btaA-2nlyA:
19.50
5btaC-2nlyA:
19.50
5btaD-2nlyA:
19.70
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 SER A   5
ASP A 257
GLY A 286
THR A 114
 None
 0.87A 5btaA-2nq5A:
undetectable
5btaC-2nq5A:
undetectable
5btaD-2nq5A:
undetectable		 5btaA-2nq5A:
22.94
5btaC-2nq5A:
22.94
5btaD-2nq5A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 5btaA-2o4cA:
undetectable
5btaC-2o4cA:
undetectable
5btaD-2o4cA:
undetectable		 5btaA-2o4cA:
24.32
5btaC-2o4cA:
24.32
5btaD-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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 ARG A  96
ASP A 221
ARG A 160
GLU A 164
 None
 0.89A 5btaA-2pq6A:
undetectable
5btaC-2pq6A:
undetectable
5btaD-2pq6A:
3.0		 5btaA-2pq6A:
21.40
5btaC-2pq6A:
21.40
5btaD-2pq6A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 0.83A 5btaA-2q0xA:
undetectable
5btaC-2q0xA:
undetectable
5btaD-2q0xA:
2.9		 5btaA-2q0xA:
23.50
5btaC-2q0xA:
23.50
5btaD-2q0xA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 SER A 185
ARG A 122
GLY A 105
GLU A 106
 None
 0.78A 5btaA-2vn7A:
undetectable
5btaC-2vn7A:
undetectable
5btaD-2vn7A:
undetectable		 5btaA-2vn7A:
21.70
5btaC-2vn7A:
21.70
5btaD-2vn7A:
17.11
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.
2vsx EUKARYOTIC
INITIATION FACTOR 4F
SUBUNIT P150

(Saccharomyces
cerevisiae) 		PF02854
(MIF4G) 		4 SER E 786
ARG E 847
GLY E 795
GLU E 799
 None
 0.85A 5btaA-2vsxE:
undetectable
5btaC-2vsxE:
undetectable
5btaD-2vsxE:
undetectable		 5btaA-2vsxE:
20.43
5btaC-2vsxE:
20.43
5btaD-2vsxE:
24.10
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 SER A 710
ARG A 664
GLY A 696
GLU A 179
 PGR  A1777 ( 3.5A)
PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
 0.88A 5btaA-2xe4A:
undetectable
5btaC-2xe4A:
undetectable
5btaD-2xe4A:
3.0		 5btaA-2xe4A:
20.42
5btaC-2xe4A:
20.42
5btaD-2xe4A:
16.17
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) 		5 SER A1084
ASP A 397
ARG A 418
GLY A 419
GLU A 437
 MG  A1504 ( 3.8A)
None
None
None
None
 0.75A 5btaA-2xkkA:
48.2
5btaC-2xkkA:
48.3
5btaD-2xkkA:
26.4		 5btaA-2xkkA:
30.73
5btaC-2xkkA:
30.73
5btaD-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
 0.77A 5btaA-2yijA:
undetectable
5btaC-2yijA:
undetectable
5btaD-2yijA:
undetectable		 5btaA-2yijA:
22.12
5btaC-2yijA:
22.12
5btaD-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.
2z1n DEHYDROGENASE

(Aeropyrum
pernix) 		PF13561
(adh_short_C2) 		4 SER A  17
ASP A  66
ARG A  68
GLU A 111
 None
 0.93A 5btaA-2z1nA:
undetectable
5btaC-2z1nA:
undetectable
5btaD-2z1nA:
2.0		 5btaA-2z1nA:
22.76
5btaC-2z1nA:
22.76
5btaD-2z1nA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab0 ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN
BCLA PROTEIN

(Bacillus
anthracis;
Mus musculus) 		PF07686
(V-set)
no annotation 		4 SER C  28
GLY A 157
THR A 125
GLU A 190
 None
 0.86A 5btaA-3ab0C:
undetectable
5btaC-3ab0C:
undetectable
5btaD-3ab0C:
undetectable		 5btaA-3ab0C:
13.29
5btaC-3ab0C:
13.29
5btaD-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.
3be5 PUTATIVE IRON
COMPOUND-BINDING
PROTEIN OF ABC
TRANSPORTER FAMILY

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		4 SER A 294
ASP A  46
THR A 117
GLU A 115
 None
 0.98A 5btaA-3be5A:
undetectable
5btaC-3be5A:
undetectable
5btaD-3be5A:
undetectable		 5btaA-3be5A:
20.42
5btaC-3be5A:
20.42
5btaD-3be5A:
22.47
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.
3buj CALO2

(Micromonospora
echinospora) 		PF00067
(p450) 		4 ARG A 275
ASP A 277
ARG A 384
GLY A 309
 None
 0.97A 5btaA-3bujA:
undetectable
5btaC-3bujA:
0.7
5btaD-3bujA:
undetectable		 5btaA-3bujA:
23.87
5btaC-3bujA:
23.87
5btaD-3bujA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 ARG A  72
GLY A  43
THR A  84
GLU A  33
 None
 0.81A 5btaA-3d8xA:
undetectable
5btaC-3d8xA:
undetectable
5btaD-3d8xA:
undetectable		 5btaA-3d8xA:
22.70
5btaC-3d8xA:
22.70
5btaD-3d8xA:
23.60
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.
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
 0.89A 5btaA-3dm3A:
undetectable
5btaC-3dm3A:
undetectable
5btaD-3dm3A:
undetectable		 5btaA-3dm3A:
13.06
5btaC-3dm3A:
13.06
5btaD-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 ASP A 117
ARG A 265
GLY A  74
GLU A 202
 None
 0.77A 5btaA-3epmA:
undetectable
5btaC-3epmA:
undetectable
5btaD-3epmA:
undetectable		 5btaA-3epmA:
22.77
5btaC-3epmA:
22.77
5btaD-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.
3fbu ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13302
(Acetyltransf_3) 		4 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.83A 5btaA-3fbuA:
undetectable
5btaC-3fbuA:
undetectable
5btaD-3fbuA:
undetectable		 5btaA-3fbuA:
15.22
5btaC-3fbuA:
15.22
5btaD-3fbuA:
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A 409
SER A 276
THR A 152
GLU A 135
 GOL  A 700 ( 3.9A)
None
None
None
 0.95A 5btaA-3fcjA:
undetectable
5btaC-3fcjA:
undetectable
5btaD-3fcjA:
undetectable		 5btaA-3fcjA:
20.85
5btaC-3fcjA:
20.85
5btaD-3fcjA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ASP A  98
ARG A 122
GLY A 123
THR A 150
 None
 0.93A 5btaA-3fefA:
undetectable
5btaC-3fefA:
undetectable
5btaD-3fefA:
undetectable		 5btaA-3fefA:
23.18
5btaC-3fefA:
23.18
5btaD-3fefA:
21.54
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.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		4 ARG X  99
SER X 142
ARG X 166
GLY X 167
 None
 0.94A 5btaA-3fmxX:
undetectable
5btaC-3fmxX:
undetectable
5btaD-3fmxX:
2.4		 5btaA-3fmxX:
22.91
5btaC-3fmxX:
22.91
5btaD-3fmxX:
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.
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
 0.83A 5btaA-3g2eA:
undetectable
5btaC-3g2eA:
undetectable
5btaD-3g2eA:
undetectable		 5btaA-3g2eA:
17.82
5btaC-3g2eA:
17.82
5btaD-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.
3gpi NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Methylobacillus
flagellatus) 		PF13460
(NAD_binding_10) 		4 ARG A 160
SER A  75
GLY A  13
THR A  43
 None
 0.94A 5btaA-3gpiA:
undetectable
5btaC-3gpiA:
undetectable
5btaD-3gpiA:
2.7		 5btaA-3gpiA:
19.37
5btaC-3gpiA:
19.37
5btaD-3gpiA:
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.
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
 0.94A 5btaA-3koyA:
undetectable
5btaC-3koyA:
undetectable
5btaD-3koyA:
3.6		 5btaA-3koyA:
22.40
5btaC-3koyA:
22.40
5btaD-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.
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
 0.81A 5btaA-3nzuA:
1.6
5btaC-3nzuA:
1.6
5btaD-3nzuA:
undetectable		 5btaA-3nzuA:
19.26
5btaC-3nzuA:
19.26
5btaD-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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		4 SER A 276
ASP A 290
ARG A 201
THR A 195
 None
 0.91A 5btaA-3o8lA:
undetectable
5btaC-3o8lA:
undetectable
5btaD-3o8lA:
2.3		 5btaA-3o8lA:
23.09
5btaC-3o8lA:
23.09
5btaD-3o8lA:
16.08
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		4 ARG A  52
GLY A 120
THR A 123
GLU A 121
 None
 0.92A 5btaA-3p13A:
undetectable
5btaC-3p13A:
undetectable
5btaD-3p13A:
undetectable		 5btaA-3p13A:
15.01
5btaC-3p13A:
15.01
5btaD-3p13A:
21.26
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.
3q5t TCR N30 BETA

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER A 223
ASP A 217
GLY A 212
THR A 112
 None
 0.98A 5btaA-3q5tA:
undetectable
5btaC-3q5tA:
undetectable
5btaD-3q5tA:
undetectable		 5btaA-3q5tA:
18.97
5btaC-3q5tA:
18.97
5btaD-3q5tA:
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.
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
 0.80A 5btaA-3qxmA:
undetectable
5btaC-3qxmA:
undetectable
5btaD-3qxmA:
undetectable		 5btaA-3qxmA:
22.01
5btaC-3qxmA:
22.01
5btaD-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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 SER A  69
ASP A  73
ARG A  75
GLY A 223
GLU A  37
 None
 1.36A 5btaA-3swdA:
undetectable
5btaC-3swdA:
undetectable
5btaD-3swdA:
undetectable		 5btaA-3swdA:
24.81
5btaC-3swdA:
24.81
5btaD-3swdA:
22.33
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.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		4 ARG A  48
ARG A 289
THR A 238
GLU A 258
 None
 0.74A 5btaA-3t7vA:
undetectable
5btaC-3t7vA:
undetectable
5btaD-3t7vA:
undetectable		 5btaA-3t7vA:
24.86
5btaC-3t7vA:
24.86
5btaD-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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 ARG A 200
SER A  38
GLY A 129
GLU A 127
 None
 0.99A 5btaA-3texA:
undetectable
5btaC-3texA:
undetectable
5btaD-3texA:
undetectable		 5btaA-3texA:
21.37
5btaC-3texA:
21.37
5btaD-3texA:
15.45
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.
3tg1 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
10

(Homo sapiens) 		PF00581
(Rhodanese) 		4 ASP B 176
ARG B 178
GLY B 272
GLU B 238
 None
 0.97A 5btaA-3tg1B:
undetectable
5btaC-3tg1B:
undetectable
5btaD-3tg1B:
2.8		 5btaA-3tg1B:
12.96
5btaC-3tg1B:
12.96
5btaD-3tg1B:
18.85
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.
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
 0.85A 5btaA-3u4aA:
undetectable
5btaC-3u4aA:
undetectable
5btaD-3u4aA:
2.6		 5btaA-3u4aA:
21.90
5btaC-3u4aA:
21.90
5btaD-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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 4 ASP A 105
ARG A 107
GLY A 181
GLU A 180
 ACY  A 339 (-3.7A)
ACY  A 339 (-4.1A)
None
ACY  A 339 (-4.4A)
 0.89A 5btaA-3u4gA:
undetectable
5btaC-3u4gA:
undetectable
5btaD-3u4gA:
undetectable		 5btaA-3u4gA:
23.29
5btaC-3u4gA:
23.29
5btaD-3u4gA:
22.97
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.
3vza UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		no annotation 4 SER B 229
ASP B 174
GLY B 150
GLU B 147
 None
 0.90A 5btaA-3vzaB:
undetectable
5btaC-3vzaB:
undetectable
5btaD-3vzaB:
undetectable		 5btaA-3vzaB:
11.13
5btaC-3vzaB:
11.13
5btaD-3vzaB:
17.23
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 SER A  26
ARG A  67
GLY A 443
THR A 430
GLU A 441
 None
 1.48A 5btaA-3zyxA:
undetectable
5btaC-3zyxA:
undetectable
5btaD-3zyxA:
undetectable		 5btaA-3zyxA:
22.90
5btaC-3zyxA:
22.90
5btaD-3zyxA:
20.64
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.
4a2b CELL DIVISION
PROTEIN FTSA,
PUTATIVE

(Thermotoga
maritima) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 SER A 309
ARG A 357
GLY A 331
THR A 200
GLU A 203
 None
 1.41A 5btaA-4a2bA:
undetectable
5btaC-4a2bA:
undetectable
5btaD-4a2bA:
undetectable		 5btaA-4a2bA:
22.45
5btaC-4a2bA:
22.45
5btaD-4a2bA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 ARG A 319
GLY A 271
THR A 298
GLU A 292
 None
 0.80A 5btaA-4a7kA:
undetectable
5btaC-4a7kA:
undetectable
5btaD-4a7kA:
undetectable		 5btaA-4a7kA:
20.49
5btaC-4a7kA:
20.49
5btaD-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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ASP A 827
ARG A 829
THR A 924
GLU A 894
 None
 0.95A 5btaA-4bfrA:
undetectable
5btaC-4bfrA:
undetectable
5btaD-4bfrA:
undetectable		 5btaA-4bfrA:
18.21
5btaC-4bfrA:
18.21
5btaD-4bfrA:
15.20
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		4 SER B 337
ASP A 319
ARG A 317
GLU A 315
 None
 0.93A 5btaA-4cakB:
undetectable
5btaC-4cakB:
undetectable
5btaD-4cakB:
undetectable		 5btaA-4cakB:
20.68
5btaC-4cakB:
20.68
5btaD-4cakB:
17.44
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		4 ASP A 187
ARG A 169
GLY A 192
GLU A 193
 None
 0.97A 5btaA-4e09A:
undetectable
5btaC-4e09A:
undetectable
5btaD-4e09A:
2.3		 5btaA-4e09A:
19.32
5btaC-4e09A:
19.32
5btaD-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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 SER A  88
ASP A 242
ARG A 247
GLY A 326
 None
MG  A 552 (-2.4A)
G6Q  A 544 (-3.2A)
None
 0.98A 5btaA-4hjhA:
3.2
5btaC-4hjhA:
3.2
5btaD-4hjhA:
undetectable		 5btaA-4hjhA:
23.19
5btaC-4hjhA:
23.19
5btaD-4hjhA:
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.
4hmw PYRIDOXAMINE
5'-PHOSPHATE OXIDASE

(Burkholderia
lata) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		4 ARG A  84
GLY A  86
THR A  55
GLU A  88
 None
 0.95A 5btaA-4hmwA:
undetectable
5btaC-4hmwA:
undetectable
5btaD-4hmwA:
undetectable		 5btaA-4hmwA:
18.45
5btaC-4hmwA:
18.45
5btaD-4hmwA:
23.57
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 ASP A 764
ARG A 767
GLY A 768
THR A 629
GLU A 756
 None
 1.13A 5btaA-4kf7A:
undetectable
5btaC-4kf7A:
undetectable
5btaD-4kf7A:
undetectable		 5btaA-4kf7A:
18.89
5btaC-4kf7A:
18.89
5btaD-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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		4 ARG A 244
GLY A 246
THR A 277
GLU A 247
 None
 0.92A 5btaA-4kzkA:
undetectable
5btaC-4kzkA:
undetectable
5btaD-4kzkA:
3.1		 5btaA-4kzkA:
19.85
5btaC-4kzkA:
19.85
5btaD-4kzkA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		4 SER A  44
ASP A 310
GLY A 225
GLU A  13
 None
 0.87A 5btaA-4n0lA:
undetectable
5btaC-4n0lA:
1.2
5btaD-4n0lA:
undetectable		 5btaA-4n0lA:
23.17
5btaC-4n0lA:
23.17
5btaD-4n0lA:
26.36
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.
4px9 ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD) 		4 ARG A 363
ASP A 329
ARG A 333
GLY A 334
 None
 0.96A 5btaA-4px9A:
undetectable
5btaC-4px9A:
undetectable
5btaD-4px9A:
2.1		 5btaA-4px9A:
21.44
5btaC-4px9A:
21.44
5btaD-4px9A:
23.38
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 SER A1065
ASP A 936
ARG A 975
GLY A1002
 None
 0.82A 5btaA-4rcnA:
1.7
5btaC-4rcnA:
1.7
5btaD-4rcnA:
undetectable		 5btaA-4rcnA:
19.53
5btaC-4rcnA:
19.53
5btaD-4rcnA:
13.26
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 209
ARG A  43
GLY A 167
GLU A 151
 None
 0.98A 5btaA-4rvwA:
undetectable
5btaC-4rvwA:
undetectable
5btaD-4rvwA:
undetectable		 5btaA-4rvwA:
21.69
5btaC-4rvwA:
21.69
5btaD-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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		4 ARG A 180
GLY A 177
THR A 162
GLU A 165
 SO4  A 302 (-4.6A)
None
None
None
 0.99A 5btaA-4u0gA:
undetectable
5btaC-4u0gA:
undetectable
5btaD-4u0gA:
undetectable		 5btaA-4u0gA:
19.78
5btaC-4u0gA:
19.78
5btaD-4u0gA:
23.37
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 SER A 189
ASP A 112
ARG A 103
GLY A 102
 None
 0.92A 5btaA-4u3wA:
undetectable
5btaC-4u3wA:
undetectable
5btaD-4u3wA:
2.1		 5btaA-4u3wA:
24.16
5btaC-4u3wA:
24.16
5btaD-4u3wA:
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A  11
ARG A 188
GLY A 187
GLU A 186
 None
None
GOL  A 404 ( 3.7A)
None
 0.97A 5btaA-4ubtA:
undetectable
5btaC-4ubtA:
undetectable
5btaD-4ubtA:
undetectable		 5btaA-4ubtA:
23.46
5btaC-4ubtA:
23.46
5btaD-4ubtA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		4 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.80A 5btaA-4up3A:
undetectable
5btaC-4up3A:
undetectable
5btaD-4up3A:
undetectable		 5btaA-4up3A:
21.63
5btaC-4up3A:
21.63
5btaD-4up3A:
20.37
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ARG A 487
SER A 483
GLY A 525
THR A 561
 None
None
POL  A 707 (-3.7A)
None
 0.98A 5btaA-4uzsA:
undetectable
5btaC-4uzsA:
undetectable
5btaD-4uzsA:
undetectable		 5btaA-4uzsA:
22.16
5btaC-4uzsA:
22.16
5btaD-4uzsA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wny UNIVERSAL STRESS
PROTEIN

(Burkholderia
pseudomallei) 		PF00582
(Usp) 		5 SER A  16
ASP A  69
ARG A  65
GLY A  64
GLU A  62
 None
 1.37A 5btaA-4wnyA:
undetectable
5btaC-4wnyA:
undetectable
5btaD-4wnyA:
2.2		 5btaA-4wnyA:
16.99
5btaC-4wnyA:
16.99
5btaD-4wnyA:
20.97
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.
4yok PUTATIVE FLAGELLAR
PROTEIN FLIS

(Parabacteroides
merdae) 		PF12866
(DUF3823) 		4 SER A 161
ASP A 176
ARG A 155
GLY A 208
 None
 0.95A 5btaA-4yokA:
undetectable
5btaC-4yokA:
undetectable
5btaD-4yokA:
undetectable		 5btaA-4yokA:
18.63
5btaC-4yokA:
18.63
5btaD-4yokA:
23.55
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.
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
 0.80A 5btaA-4yrpA:
1.2
5btaC-4yrpA:
undetectable
5btaD-4yrpA:
undetectable		 5btaA-4yrpA:
22.02
5btaC-4yrpA:
22.02
5btaD-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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A1106
GLY A1105
THR A1009
GLU A1047
 None
None
CL  A1202 ( 4.4A)
None
 0.91A 5btaA-4zdnA:
undetectable
5btaC-4zdnA:
undetectable
5btaD-4zdnA:
undetectable		 5btaA-4zdnA:
22.27
5btaC-4zdnA:
22.27
5btaD-4zdnA:
17.34
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.
5e7j ATP-DEPENDENT RNA
HELICASE DDX3X

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 363
ASP A 329
ARG A 333
GLY A 334
 None
 0.79A 5btaA-5e7jA:
undetectable
5btaC-5e7jA:
undetectable
5btaD-5e7jA:
2.2		 5btaA-5e7jA:
22.59
5btaC-5e7jA:
22.59
5btaD-5e7jA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 SER A 438
ARG A 429
GLY A 428
THR A 142
 None
BEF  A 503 ( 2.6A)
None
M2A  A 501 (-4.5A)
 0.97A 5btaA-5elxA:
undetectable
5btaC-5elxA:
undetectable
5btaD-5elxA:
2.0		 5btaA-5elxA:
22.65
5btaC-5elxA:
22.65
5btaD-5elxA:
20.96
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ASP A 480
ARG A 497
GLY A 496
GLU A 585
 None
 0.90A 5btaA-5favA:
undetectable
5btaC-5favA:
undetectable
5btaD-5favA:
undetectable		 5btaA-5favA:
20.05
5btaC-5favA:
20.05
5btaD-5favA:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 SER D 384
ASP D 346
ARG D 368
GLY D 369
 None
 0.72A 5btaA-5fl7D:
undetectable
5btaC-5fl7D:
undetectable
5btaD-5fl7D:
undetectable		 5btaA-5fl7D:
23.82
5btaC-5fl7D:
23.82
5btaD-5fl7D:
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA
CRISPR SYSTEM
CASCADE SUBUNIT CASD

(Escherichia
coli) 		PF09481
(CRISPR_Cse1)
PF09704
(Cas_Cas5d) 		4 ARG J 197
SER A  37
ARG J  33
GLU J 184
 None
 0.84A 5btaA-5h9fJ:
1.6
5btaC-5h9fJ:
undetectable
5btaD-5h9fJ:
undetectable		 5btaA-5h9fJ:
19.10
5btaC-5h9fJ:
19.10
5btaD-5h9fJ:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 235
ARG A 302
GLY A 336
GLU A 338
 FLC  A 509 (-2.8A)
None
None
None
 0.93A 5btaA-5hvfA:
3.4
5btaC-5hvfA:
2.9
5btaD-5hvfA:
2.9		 5btaA-5hvfA:
20.35
5btaC-5hvfA:
20.35
5btaD-5hvfA:
19.55
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ARG A 363
ARG A 381
GLY A 379
GLU A 378
 None
 0.97A 5btaA-5i68A:
undetectable
5btaC-5i68A:
undetectable
5btaD-5i68A:
undetectable		 5btaA-5i68A:
22.70
5btaC-5i68A:
22.70
5btaD-5i68A:
17.29
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.
5ivx T-CELL RECEPTOR BETA
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER F 219
ASP F 213
GLY F 208
THR F 108
 None
 0.86A 5btaA-5ivxF:
undetectable
5btaC-5ivxF:
undetectable
5btaD-5ivxF:
undetectable		 5btaA-5ivxF:
16.90
5btaC-5ivxF:
16.90
5btaD-5ivxF:
21.29
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.
5l16 PUTATIVE
SELENOPHOSPHATE
SYNTHETASE

(Leishmania
major) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 SER A  34
ARG A  93
GLY A  89
GLU A  92
 None
 0.69A 5btaA-5l16A:
undetectable
5btaC-5l16A:
1.5
5btaD-5l16A:
undetectable		 5btaA-5l16A:
21.91
5btaC-5l16A:
21.91
5btaD-5l16A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 SER A 162
ARG A  31
GLY A  27
GLU A  28
 None
 0.80A 5btaA-5mu5A:
undetectable
5btaC-5mu5A:
undetectable
5btaD-5mu5A:
undetectable		 5btaA-5mu5A:
22.13
5btaC-5mu5A:
22.13
5btaD-5mu5A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n03 GLUTACONATE
COA-TRANSFERASE
FAMILY, SUBUNIT B

(Myxococcus
xanthus) 		no annotation 4 SER D  70
ARG D  80
GLY D  58
GLU D  83
 None
 0.85A 5btaA-5n03D:
undetectable
5btaC-5n03D:
undetectable
5btaD-5n03D:
undetectable		 5btaA-5n03D:
21.53
5btaC-5n03D:
21.53
5btaD-5n03D:
23.61
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 ARG A 537
ARG A 557
GLY A 402
GLU A 401
 None
 0.83A 5btaA-5n94A:
undetectable
5btaC-5n94A:
undetectable
5btaD-5n94A:
3.0		 5btaA-5n94A:
10.42
5btaC-5n94A:
10.42
5btaD-5n94A:
17.99
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.
5nst HEAVY CHAIN OF
ANTIBODY MGD21

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF13895
(Ig_2) 		4 ARG B 134
GLY B 135
THR B 161
GLU B 165
 GOL  B 402 (-3.4A)
None
None
None
 0.78A 5btaA-5nstB:
undetectable
5btaC-5nstB:
undetectable
5btaD-5nstB:
undetectable		 5btaA-5nstB:
20.98
5btaC-5nstB:
20.98
5btaD-5nstB:
20.83
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASP A 226
ARG A 170
GLY A 524
GLU A 173
 None
 0.84A 5btaA-5tf0A:
undetectable
5btaC-5tf0A:
undetectable
5btaD-5tf0A:
undetectable		 5btaA-5tf0A:
22.51
5btaC-5tf0A:
22.51
5btaD-5tf0A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 315
ARG B 189
GLY B 287
GLU B 288
 None
 0.97A 5btaA-5uz9B:
1.6
5btaC-5uz9B:
1.7
5btaD-5uz9B:
undetectable		 5btaA-5uz9B:
21.59
5btaC-5uz9B:
21.59
5btaD-5uz9B:
23.82
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 ASP A 392
ARG A 395
GLY A 455
THR A 462
 None
 0.97A 5btaA-5v7iA:
1.8
5btaC-5v7iA:
1.3
5btaD-5v7iA:
undetectable		 5btaA-5v7iA:
22.62
5btaC-5v7iA:
22.62
5btaD-5v7iA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 4 ARG A  99
GLY A  70
THR A 111
GLU A  60
 None
FAD  A 401 ( 4.5A)
None
None
 0.85A 5btaA-5w4cA:
undetectable
5btaC-5w4cA:
undetectable
5btaD-5w4cA:
undetectable		 5btaA-5w4cA:
10.38
5btaC-5w4cA:
10.38
5btaD-5w4cA:
15.26
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 220
ARG A 168
GLY A 522
GLU A 171
 None
BGC  A 802 (-3.0A)
None
None
 0.86A 5btaA-5xxoA:
undetectable
5btaC-5xxoA:
undetectable
5btaD-5xxoA:
undetectable		 5btaA-5xxoA:
9.96
5btaC-5xxoA:
9.96
5btaD-5xxoA:
17.15
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 ASP C2429
ARG C  36
GLY C  31
GLU C  84
 None
 0.94A 5btaA-5y3rC:
undetectable
5btaC-5y3rC:
undetectable
5btaD-5y3rC:
undetectable		 5btaA-5y3rC:
8.19
5btaC-5y3rC:
8.19
5btaD-5y3rC:
5.22
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 4 ARG F 236
SER F  42
GLY F 413
THR F 442
 None
 0.93A 5btaA-5y81F:
undetectable
5btaC-5y81F:
undetectable
5btaD-5y81F:
2.0		 5btaA-5y81F:
9.46
5btaC-5y81F:
9.46
5btaD-5y81F:
14.34