SIMILAR PATTERNS OF AMINO ACIDS FOR 5BTA_H_MFXH101_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.
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:
undetectable
5btaB-1ef7A:
undetectable
5btaC-1ef7A:
undetectable		 5btaA-1ef7A:
20.59
5btaB-1ef7A:
21.68
5btaC-1ef7A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 5btaA-1fcdA:
undetectable
5btaB-1fcdA:
undetectable
5btaC-1fcdA:
undetectable		 5btaA-1fcdA:
22.28
5btaB-1fcdA:
22.06
5btaC-1fcdA:
22.28
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		4 SER A 462
ARG A  13
GLY A   7
GLU A   5
 None
None
CO  A1722 (-3.5A)
None
 1.01A 5btaA-1gqjA:
0.3
5btaB-1gqjA:
undetectable
5btaC-1gqjA:
0.2		 5btaA-1gqjA:
21.79
5btaB-1gqjA:
17.58
5btaC-1gqjA:
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.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 SER A 347
ARG A  62
GLY A  58
GLU A  59
 None
 1.07A 5btaA-1jctA:
0.0
5btaB-1jctA:
undetectable
5btaC-1jctA:
0.0		 5btaA-1jctA:
23.39
5btaB-1jctA:
21.21
5btaC-1jctA:
23.39
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.
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
 0.87A 5btaA-1kvkA:
1.9
5btaB-1kvkA:
undetectable
5btaC-1kvkA:
0.5		 5btaA-1kvkA:
21.55
5btaB-1kvkA:
21.99
5btaC-1kvkA:
21.55
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.
1lfp HYPOTHETICAL PROTEIN
AQ_1575

(Aquifex
aeolicus) 		PF01709
(Transcrip_reg) 		4 SER A  26
ARG A  37
GLY A  73
GLU A  76
 None
 0.97A 5btaA-1lfpA:
4.3
5btaB-1lfpA:
2.3
5btaC-1lfpA:
4.0		 5btaA-1lfpA:
19.79
5btaB-1lfpA:
23.05
5btaC-1lfpA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN

(Wolinella
succinogenes) 		PF13085
(Fer2_3)
PF13183
(Fer4_8) 		4 ARG B   3
GLY B   2
THR B  81
GLU B  30
 None
 1.07A 5btaA-1qlbB:
undetectable
5btaB-1qlbB:
undetectable
5btaC-1qlbB:
undetectable		 5btaA-1qlbB:
20.04
5btaB-1qlbB:
22.26
5btaC-1qlbB:
20.04
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.
1qy9 HYPOTHETICAL PROTEIN
YDDE

(Escherichia
coli) 		PF02567
(PhzC-PhzF) 		4 ARG A 211
GLY A 256
GLU A 221
ARG A 202
 None
 1.09A 5btaA-1qy9A:
0.4
5btaB-1qy9A:
undetectable
5btaC-1qy9A:
undetectable		 5btaA-1qy9A:
21.19
5btaB-1qy9A:
21.05
5btaC-1qy9A:
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 SER A 386
ARG A 570
GLY A 568
GLU A 567
 None
 0.82A 5btaA-1rqgA:
0.0
5btaB-1rqgA:
1.3
5btaC-1rqgA:
0.0		 5btaA-1rqgA:
21.17
5btaB-1rqgA:
17.69
5btaC-1rqgA:
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.
1tzm 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pseudomonas sp.
ACP) 		PF00291
(PALP) 		4 ARG A   8
GLY A 171
THR A  12
GLU A  56
 None
 1.05A 5btaA-1tzmA:
undetectable
5btaB-1tzmA:
undetectable
5btaC-1tzmA:
undetectable		 5btaA-1tzmA:
21.57
5btaB-1tzmA:
23.66
5btaC-1tzmA:
21.57
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.
1v9a UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 115
ARG A  81
GLY A  93
GLU A  96
 SAH  A 501 (-2.6A)
None
None
None
 1.06A 5btaA-1v9aA:
undetectable
5btaB-1v9aA:
undetectable
5btaC-1v9aA:
undetectable		 5btaA-1v9aA:
20.86
5btaB-1v9aA:
24.73
5btaC-1v9aA:
20.86
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.
1v9a UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 SER A 115
ARG A  92
GLY A  93
GLU A  95
 SAH  A 501 (-2.6A)
None
None
None
 1.04A 5btaA-1v9aA:
undetectable
5btaB-1v9aA:
undetectable
5btaC-1v9aA:
undetectable		 5btaA-1v9aA:
20.86
5btaB-1v9aA:
24.73
5btaC-1v9aA:
20.86
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.
1vax URIC ACID OXIDASE

(Arthrobacter
globiformis) 		PF01014
(Uricase) 		4 ARG A 231
GLY A 230
GLU A 228
ARG A 285
 None
 0.93A 5btaA-1vaxA:
undetectable
5btaB-1vaxA:
undetectable
5btaC-1vaxA:
undetectable		 5btaA-1vaxA:
21.63
5btaB-1vaxA:
23.40
5btaC-1vaxA:
21.63
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.
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
 0.71A 5btaA-1vdcA:
undetectable
5btaB-1vdcA:
undetectable
5btaC-1vdcA:
undetectable		 5btaA-1vdcA:
20.90
5btaB-1vdcA:
22.16
5btaC-1vdcA:
20.90
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.
1y0e PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Staphylococcus
aureus) 		PF04131
(NanE) 		4 SER A  21
ARG A  40
THR A 145
GLU A 180
 None
 1.08A 5btaA-1y0eA:
undetectable
5btaB-1y0eA:
undetectable
5btaC-1y0eA:
undetectable		 5btaA-1y0eA:
17.22
5btaB-1y0eA:
25.48
5btaC-1y0eA:
17.22
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.
1yr7 ATP(GTP)BINDING
PROTEIN

(Pyrococcus
abyssi) 		PF03029
(ATP_bind_1) 		4 SER A  47
ARG A  22
GLY A  18
GLU A  19
 None
 1.06A 5btaA-1yr7A:
undetectable
5btaB-1yr7A:
undetectable
5btaC-1yr7A:
undetectable		 5btaA-1yr7A:
20.50
5btaB-1yr7A:
24.73
5btaC-1yr7A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 5btaA-1yxyA:
undetectable
5btaB-1yxyA:
undetectable
5btaC-1yxyA:
undetectable		 5btaA-1yxyA:
19.64
5btaB-1yxyA:
24.83
5btaC-1yxyA:
19.64
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 ARG A 216
GLY A 220
GLU A 219
ARG A 196
 None
 1.06A 5btaA-2b4eA:
undetectable
5btaB-2b4eA:
undetectable
5btaC-2b4eA:
undetectable		 5btaA-2b4eA:
22.61
5btaB-2b4eA:
21.45
5btaC-2b4eA:
22.61
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 SER A 271
GLY A 177
THR A  59
GLU A 176
 None
 1.10A 5btaA-2d7uA:
undetectable
5btaB-2d7uA:
undetectable
5btaC-2d7uA:
undetectable		 5btaA-2d7uA:
21.29
5btaB-2d7uA:
22.92
5btaC-2d7uA:
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		4 ARG A  65
THR A  12
GLU A  10
ARG A  71
 None
 1.08A 5btaA-2dw6A:
undetectable
5btaB-2dw6A:
undetectable
5btaC-2dw6A:
undetectable		 5btaA-2dw6A:
22.36
5btaB-2dw6A:
20.20
5btaC-2dw6A:
22.36
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.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 ARG A  89
GLY A  79
GLU A  78
ARG A  82
 None
 0.84A 5btaA-2fwvA:
undetectable
5btaB-2fwvA:
undetectable
5btaC-2fwvA:
undetectable		 5btaA-2fwvA:
19.28
5btaB-2fwvA:
25.00
5btaC-2fwvA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 5btaA-2g18A:
undetectable
5btaB-2g18A:
undetectable
5btaC-2g18A:
undetectable		 5btaA-2g18A:
20.24
5btaB-2g18A:
22.38
5btaC-2g18A:
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.
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)
 0.99A 5btaA-2j6lA:
undetectable
5btaB-2j6lA:
undetectable
5btaC-2j6lA:
undetectable		 5btaA-2j6lA:
22.97
5btaB-2j6lA:
19.76
5btaC-2j6lA:
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		4 SER A 429
GLY A 469
THR A 244
GLU A 267
 None
None
NAD  A1510 (-4.1A)
NAD  A1510 (-3.9A)
 1.04A 5btaA-2jg7A:
undetectable
5btaB-2jg7A:
undetectable
5btaC-2jg7A:
undetectable		 5btaA-2jg7A:
22.82
5btaB-2jg7A:
18.93
5btaC-2jg7A:
22.82
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.
2lst THIOREDOXIN

(Thermus
thermophilus) 		PF13899
(Thioredoxin_7) 		4 ARG A  97
GLY A  96
GLU A  94
ARG A 102
 None
 1.01A 5btaA-2lstA:
undetectable
5btaB-2lstA:
undetectable
5btaC-2lstA:
undetectable		 5btaA-2lstA:
13.69
5btaB-2lstA:
17.39
5btaC-2lstA:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n82 RNA BINDING PROTEIN
FOX-1 HOMOLOG 1

(Homo sapiens) 		PF00076
(RRM_1) 		4 SER B 122
ARG B 153
GLY B 154
GLU B 152
 A  A  31 ( 3.0A)
C  A  30 ( 3.6A)
U  A  26 ( 3.1A)
U  A  27 ( 3.1A)
 1.05A 5btaA-2n82B:
2.6
5btaB-2n82B:
undetectable
5btaC-2n82B:
2.6		 5btaA-2n82B:
12.13
5btaB-2n82B:
17.39
5btaC-2n82B:
12.13
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.
2pka KALLIKREIN A

(Sus scrofa) 		PF00089
(Trypsin) 		4 SER B 110
ARG A  70
GLY A  69
GLU A  77
 None
 1.06A 5btaA-2pkaB:
undetectable
5btaB-2pkaB:
undetectable
5btaC-2pkaB:
undetectable		 5btaA-2pkaB:
14.80
5btaB-2pkaB:
20.80
5btaC-2pkaB:
14.80
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 SER A  82
ARG A 172
GLY A 171
GLU A 170
 None
 0.84A 5btaA-2q0xA:
undetectable
5btaB-2q0xA:
3.6
5btaC-2q0xA:
undetectable		 5btaA-2q0xA:
23.50
5btaB-2q0xA:
22.13
5btaC-2q0xA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.82A 5btaA-2vn7A:
undetectable
5btaB-2vn7A:
undetectable
5btaC-2vn7A:
undetectable		 5btaA-2vn7A:
21.70
5btaB-2vn7A:
17.11
5btaC-2vn7A:
21.70
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.
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
 0.86A 5btaA-2vsxE:
undetectable
5btaB-2vsxE:
undetectable
5btaC-2vsxE:
undetectable		 5btaA-2vsxE:
20.43
5btaB-2vsxE:
24.10
5btaC-2vsxE:
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.
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)
 0.91A 5btaA-2xe4A:
undetectable
5btaB-2xe4A:
2.2
5btaC-2xe4A:
undetectable		 5btaA-2xe4A:
20.42
5btaB-2xe4A:
16.17
5btaC-2xe4A:
20.42
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 SER A1084
ARG A 418
GLY A 419
GLU A 437
 MG  A1504 ( 3.8A)
None
None
None
 0.68A 5btaA-2xkkA:
48.2
5btaB-2xkkA:
26.4
5btaC-2xkkA:
48.3		 5btaA-2xkkA:
30.73
5btaB-2xkkA:
20.79
5btaC-2xkkA:
30.73
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ARG A 218
GLY A 217
THR A  98
GLU A 215
 None
 0.80A 5btaA-2yijA:
undetectable
5btaB-2yijA:
undetectable
5btaC-2yijA:
undetectable		 5btaA-2yijA:
22.12
5btaB-2yijA:
20.43
5btaC-2yijA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
5btaB-3ab0C:
undetectable
5btaC-3ab0C:
undetectable		 5btaA-3ab0C:
13.29
5btaB-3ab0C:
14.23
5btaC-3ab0C:
13.29
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		4 SER A 910
ARG A 675
THR A 568
GLU A 605
 None
 1.09A 5btaA-3bg9A:
undetectable
5btaB-3bg9A:
undetectable
5btaC-3bg9A:
undetectable		 5btaA-3bg9A:
22.34
5btaB-3bg9A:
17.58
5btaC-3bg9A:
22.34
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.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		4 ARG A  72
GLY A  43
THR A  84
GLU A  33
 None
 0.83A 5btaA-3d8xA:
undetectable
5btaB-3d8xA:
undetectable
5btaC-3d8xA:
undetectable		 5btaA-3d8xA:
22.70
5btaB-3d8xA:
23.60
5btaC-3d8xA:
22.70
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.
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
 0.92A 5btaA-3dm3A:
undetectable
5btaB-3dm3A:
undetectable
5btaC-3dm3A:
undetectable		 5btaA-3dm3A:
13.06
5btaB-3dm3A:
19.29
5btaC-3dm3A:
13.06
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.
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
 0.85A 5btaA-3fbuA:
undetectable
5btaB-3fbuA:
undetectable
5btaC-3fbuA:
undetectable		 5btaA-3fbuA:
15.22
5btaB-3fbuA:
21.86
5btaC-3fbuA:
15.22
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 SER A 276
THR A 152
GLU A 135
ARG A 409
 None
None
None
GOL  A 700 ( 3.9A)
 0.97A 5btaA-3fcjA:
undetectable
5btaB-3fcjA:
undetectable
5btaC-3fcjA:
undetectable		 5btaA-3fcjA:
20.85
5btaB-3fcjA:
21.05
5btaC-3fcjA:
20.85
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.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		4 SER X 142
ARG X 166
GLY X 167
ARG X  99
 None
 0.88A 5btaA-3fmxX:
undetectable
5btaB-3fmxX:
undetectable
5btaC-3fmxX:
undetectable		 5btaA-3fmxX:
22.91
5btaB-3fmxX:
21.96
5btaC-3fmxX:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grh ACYL-COA THIOESTER
HYDROLASE YBGC

(Escherichia
coli) 		PF01095
(Pectinesterase) 		4 SER A 170
ARG A 262
GLY A 261
THR A 325
 None
 1.01A 5btaA-3grhA:
undetectable
5btaB-3grhA:
undetectable
5btaC-3grhA:
undetectable		 5btaA-3grhA:
21.83
5btaB-3grhA:
19.01
5btaC-3grhA:
21.83
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 SER A 321
ARG B 840
GLY B 842
GLU B 843
 None
 0.93A 5btaA-3hkzA:
undetectable
5btaB-3hkzA:
undetectable
5btaC-3hkzA:
undetectable		 5btaA-3hkzA:
21.20
5btaB-3hkzA:
16.74
5btaC-3hkzA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10531
(SLBB)
PF10588
(NADH-G_4Fe-4S_3)
PF10589
(NADH_4Fe-4S)
PF13510
(Fer2_4) 		4 SER 2  68
GLY 1 183
THR 1 325
ARG 3 205
 MN  2 206 (-3.2A)
FMN  1 440 (-3.3A)
None
None
 1.10A 5btaA-3i9v2:
2.3
5btaB-3i9v2:
undetectable
5btaC-3i9v2:
2.2		 5btaA-3i9v2:
15.90
5btaB-3i9v2:
20.85
5btaC-3i9v2:
15.90
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ARG A 189
GLY A 187
GLU A 172
ARG A 457
 None
 1.10A 5btaA-3ibrA:
undetectable
5btaB-3ibrA:
undetectable
5btaC-3ibrA:
undetectable		 5btaA-3ibrA:
22.20
5btaB-3ibrA:
18.57
5btaC-3ibrA:
22.20
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.
3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2

(Salmonella
enterica) 		PF04131
(NanE) 		4 ARG A  51
GLY A 207
THR A 153
GLU A 184
 CL  A 238 (-4.3A)
SO4  A 234 (-3.5A)
None
None
 1.03A 5btaA-3igsA:
undetectable
5btaB-3igsA:
undetectable
5btaC-3igsA:
undetectable		 5btaA-3igsA:
20.12
5btaB-3igsA:
24.54
5btaC-3igsA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ius UNCHARACTERIZED
CONSERVED PROTEIN

(Ruegeria
pomeroyi) 		no annotation 4 SER A 244
ARG A 156
GLY A 150
THR A  13
 None
 1.05A 5btaA-3iusA:
undetectable
5btaB-3iusA:
1.8
5btaC-3iusA:
undetectable		 5btaA-3iusA:
20.99
5btaB-3iusA:
24.83
5btaC-3iusA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 SER A 330
ARG A 143
GLY A 142
THR A 128
 None
None
None
NAD  A 400 (-2.7A)
 1.08A 5btaA-3jzdA:
undetectable
5btaB-3jzdA:
2.4
5btaC-3jzdA:
undetectable		 5btaA-3jzdA:
22.24
5btaB-3jzdA:
21.04
5btaC-3jzdA:
22.24
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 ARG A 359
GLY A 358
GLU A 212
ARG A 420
 None
 1.05A 5btaA-3oepA:
5.3
5btaB-3oepA:
undetectable
5btaC-3oepA:
5.6		 5btaA-3oepA:
23.37
5btaB-3oepA:
20.53
5btaC-3oepA:
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		4 ARG A  52
GLY A 120
THR A 123
GLU A 121
 None
 0.91A 5btaA-3p13A:
undetectable
5btaB-3p13A:
undetectable
5btaC-3p13A:
undetectable		 5btaA-3p13A:
15.01
5btaB-3p13A:
21.26
5btaC-3p13A:
15.01
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.
3q1t ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 SER A 114
ARG A 138
GLY A 182
GLU A 183
 None
 1.04A 5btaA-3q1tA:
undetectable
5btaB-3q1tA:
undetectable
5btaC-3q1tA:
undetectable		 5btaA-3q1tA:
21.07
5btaB-3q1tA:
24.92
5btaC-3q1tA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Salmonella
enterica) 		PF04131
(NanE) 		4 ARG A  51
GLY A 207
THR A 153
GLU A 184
 None
 1.07A 5btaA-3q58A:
undetectable
5btaB-3q58A:
undetectable
5btaC-3q58A:
undetectable		 5btaA-3q58A:
21.00
5btaB-3q58A:
23.77
5btaC-3q58A:
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.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		4 ARG A 289
THR A 238
GLU A 258
ARG A  48
 None
 0.74A 5btaA-3t7vA:
undetectable
5btaB-3t7vA:
undetectable
5btaC-3t7vA:
undetectable		 5btaA-3t7vA:
24.86
5btaB-3t7vA:
23.90
5btaC-3t7vA:
24.86
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 SER A  38
GLY A 129
GLU A 127
ARG A 200
 None
 0.98A 5btaA-3texA:
undetectable
5btaB-3texA:
undetectable
5btaC-3texA:
1.6		 5btaA-3texA:
21.37
5btaB-3texA:
15.45
5btaC-3texA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uze ENVELOPE PROTEIN

(Dengue virus) 		PF02832
(Flavi_glycop_C) 		4 ARG C 350
GLY C 349
THR C 319
GLU C 370
 None
 1.10A 5btaA-3uzeC:
undetectable
5btaB-3uzeC:
undetectable
5btaC-3uzeC:
undetectable		 5btaA-3uzeC:
13.12
5btaB-3uzeC:
18.47
5btaC-3uzeC:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uzv ENVELOPE PROTEIN

(Dengue virus) 		PF02832
(Flavi_glycop_C) 		4 ARG A 350
GLY A 349
THR A 319
GLU A 370
 None
 1.05A 5btaA-3uzvA:
undetectable
5btaB-3uzvA:
undetectable
5btaC-3uzvA:
undetectable		 5btaA-3uzvA:
12.63
5btaB-3uzvA:
16.14
5btaC-3uzvA:
12.63
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.
3wxr PROBABLE PROTEASOME
SUBUNIT ALPHA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 ARG G  90
GLY G  91
GLU G  94
ARG G  85
 None
 1.09A 5btaA-3wxrG:
undetectable
5btaB-3wxrG:
undetectable
5btaC-3wxrG:
undetectable		 5btaA-3wxrG:
20.42
5btaB-3wxrG:
21.88
5btaC-3wxrG:
20.42
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.
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:
0.0
5btaB-3zyxA:
undetectable
5btaC-3zyxA:
undetectable		 5btaA-3zyxA:
22.90
5btaB-3zyxA:
20.64
5btaC-3zyxA:
22.90
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.
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
 1.44A 5btaA-4a2bA:
undetectable
5btaB-4a2bA:
undetectable
5btaC-4a2bA:
undetectable		 5btaA-4a2bA:
22.45
5btaB-4a2bA:
21.13
5btaC-4a2bA:
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.
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
5btaB-4a7kA:
undetectable
5btaC-4a7kA:
undetectable		 5btaA-4a7kA:
20.49
5btaB-4a7kA:
16.46
5btaC-4a7kA:
20.49
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.
4d47 LEVANSUCRASE

(Erwinia
amylovora) 		PF02435
(Glyco_hydro_68) 		4 SER A 181
ARG A 101
GLY A 123
GLU A 122
 None
 1.06A 5btaA-4d47A:
undetectable
5btaB-4d47A:
undetectable
5btaC-4d47A:
undetectable		 5btaA-4d47A:
20.77
5btaB-4d47A:
19.81
5btaC-4d47A:
20.77
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.
4g2t SSFS6

(Streptomyces
sp. SF2575) 		PF00201
(UDPGT)
PF06722
(DUF1205) 		4 SER A  10
ARG A  91
GLY A  90
GLU A 152
 None
 1.04A 5btaA-4g2tA:
undetectable
5btaB-4g2tA:
1.9
5btaC-4g2tA:
undetectable		 5btaA-4g2tA:
21.48
5btaB-4g2tA:
22.56
5btaC-4g2tA:
21.48
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.
4k2x POLYKETIDE
OXYGENASE/HYDROXYLAS
E

(Streptomyces
rimosus) 		PF01494
(FAD_binding_3) 		4 ARG A 402
THR A  89
GLU A  52
ARG A 335
 None
 1.10A 5btaA-4k2xA:
undetectable
5btaB-4k2xA:
undetectable
5btaC-4k2xA:
undetectable		 5btaA-4k2xA:
23.58
5btaB-4k2xA:
21.92
5btaC-4k2xA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 5btaA-4kzkA:
undetectable
5btaB-4kzkA:
3.6
5btaC-4kzkA:
undetectable		 5btaA-4kzkA:
19.85
5btaB-4kzkA:
22.65
5btaC-4kzkA:
19.85
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.
4okv ANTI-PLATELET
AGGREGATION PROTEIN

(Anopheles
stephensi) 		no annotation 4 SER E 218
ARG E 245
GLY E 243
GLU E 242
 None
 1.00A 5btaA-4okvE:
undetectable
5btaB-4okvE:
undetectable
5btaC-4okvE:
undetectable		 5btaA-4okvE:
13.48
5btaB-4okvE:
14.77
5btaC-4okvE:
13.48
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		4 ARG A 106
GLY A 328
THR A 138
GLU A 107
 None
 1.03A 5btaA-4p8bA:
undetectable
5btaB-4p8bA:
undetectable
5btaC-4p8bA:
undetectable		 5btaA-4p8bA:
24.06
5btaB-4p8bA:
23.76
5btaC-4p8bA:
24.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 SER B1084
ARG B 458
GLY B 459
GLU B 477
 None
 1.10A 5btaA-4plbB:
53.3
5btaB-4plbB:
26.7
5btaC-4plbB:
53.3		 5btaA-4plbB:
41.64
5btaB-4plbB:
22.93
5btaC-4plbB:
41.64
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 ARG A  76
GLY A  78
THR A  71
ARG A  86
 None
 1.07A 5btaA-4qvgA:
2.8
5btaB-4qvgA:
undetectable
5btaC-4qvgA:
2.8		 5btaA-4qvgA:
21.39
5btaB-4qvgA:
24.19
5btaC-4qvgA:
21.39
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.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 209
ARG A  43
GLY A 167
GLU A 151
 None
 0.95A 5btaA-4rvwA:
undetectable
5btaB-4rvwA:
undetectable
5btaC-4rvwA:
undetectable		 5btaA-4rvwA:
21.69
5btaB-4rvwA:
16.64
5btaC-4rvwA:
21.69
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.
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
 0.96A 5btaA-4u0gA:
undetectable
5btaB-4u0gA:
undetectable
5btaC-4u0gA:
undetectable		 5btaA-4u0gA:
19.78
5btaB-4u0gA:
23.37
5btaC-4u0gA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A 188
GLY A 187
GLU A 186
ARG A  11
 None
GOL  A 404 ( 3.7A)
None
None
 1.00A 5btaA-4ubtA:
undetectable
5btaB-4ubtA:
undetectable
5btaC-4ubtA:
undetectable		 5btaA-4ubtA:
23.46
5btaB-4ubtA:
21.17
5btaC-4ubtA:
23.46
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		4 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.83A 5btaA-4up3A:
undetectable
5btaB-4up3A:
undetectable
5btaC-4up3A:
undetectable		 5btaA-4up3A:
21.63
5btaB-4up3A:
20.37
5btaC-4up3A:
21.63
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 SER A 483
GLY A 525
THR A 561
ARG A 487
 None
POL  A 707 (-3.7A)
None
None
 0.96A 5btaA-4uzsA:
undetectable
5btaB-4uzsA:
undetectable
5btaC-4uzsA:
undetectable		 5btaA-4uzsA:
22.16
5btaB-4uzsA:
17.92
5btaC-4uzsA:
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A  19
ARG A 239
GLY A 246
GLU A 244
 None
 0.99A 5btaA-4z26A:
undetectable
5btaB-4z26A:
undetectable
5btaC-4z26A:
undetectable		 5btaA-4z26A:
21.17
5btaB-4z26A:
17.74
5btaC-4z26A:
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.
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
 0.92A 5btaA-4zdnA:
undetectable
5btaB-4zdnA:
undetectable
5btaC-4zdnA:
undetectable		 5btaA-4zdnA:
22.27
5btaB-4zdnA:
17.34
5btaC-4zdnA:
22.27
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.
4zel DOPAMINE
BETA-HYDROXYLASE

(Homo sapiens) 		PF01082
(Cu2_monooxygen)
PF03351
(DOMON)
PF03712
(Cu2_monoox_C) 		4 GLY A 417
THR A 477
GLU A 486
ARG A 194
 None
 1.10A 5btaA-4zelA:
undetectable
5btaB-4zelA:
undetectable
5btaC-4zelA:
undetectable		 5btaA-4zelA:
22.04
5btaB-4zelA:
17.54
5btaC-4zelA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zqv CDII IMMUNITY
PROTEIN

(Yersinia
kristensenii) 		PF07262
(CdiI) 		4 SER A 138
ARG A 133
GLY A 132
GLU A 125
 None
 1.03A 5btaA-4zqvA:
undetectable
5btaB-4zqvA:
undetectable
5btaC-4zqvA:
undetectable		 5btaA-4zqvA:
18.55
5btaB-4zqvA:
20.61
5btaC-4zqvA:
18.55
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 SER A 466
GLY A 682
THR A 689
ARG A 549
 None
 1.04A 5btaA-5a22A:
undetectable
5btaB-5a22A:
undetectable
5btaC-5a22A:
undetectable		 5btaA-5a22A:
14.24
5btaB-5a22A:
8.15
5btaC-5a22A:
14.24
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		4 SER A 405
ARG A  47
GLY A  48
ARG A 411
 None
 1.06A 5btaA-5dqpA:
undetectable
5btaB-5dqpA:
undetectable
5btaC-5dqpA:
undetectable		 5btaA-5dqpA:
22.94
5btaB-5dqpA:
20.18
5btaC-5dqpA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
5btaB-5elxA:
2.5
5btaC-5elxA:
undetectable		 5btaA-5elxA:
22.65
5btaB-5elxA:
20.96
5btaC-5elxA:
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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		4 ARG X  26
GLY X 194
GLU X 203
ARG X 255
 None
 1.02A 5btaA-5eztX:
undetectable
5btaB-5eztX:
undetectable
5btaC-5eztX:
undetectable		 5btaA-5eztX:
18.62
5btaB-5eztX:
23.61
5btaC-5eztX:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA
CRISPR SYSTEM
CASCADE SUBUNIT CASD

(Escherichia
coli) 		PF09481
(CRISPR_Cse1)
PF09704
(Cas_Cas5d) 		4 SER A  37
ARG J  33
GLU J 184
ARG J 197
 None
 0.84A 5btaA-5h9fA:
undetectable
5btaB-5h9fA:
undetectable
5btaC-5h9fA:
undetectable		 5btaA-5h9fA:
22.01
5btaB-5h9fA:
19.13
5btaC-5h9fA:
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 302
GLY A 336
GLU A 338
ARG A 235
 None
None
None
FLC  A 509 (-2.8A)
 0.91A 5btaA-5hvfA:
3.4
5btaB-5hvfA:
3.1
5btaC-5hvfA:
undetectable		 5btaA-5hvfA:
20.35
5btaB-5hvfA:
19.55
5btaC-5hvfA:
20.35
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ARG A 381
GLY A 379
GLU A 378
ARG A 363
 None
 0.97A 5btaA-5i68A:
undetectable
5btaB-5i68A:
undetectable
5btaC-5i68A:
undetectable		 5btaA-5i68A:
22.70
5btaB-5i68A:
17.29
5btaC-5i68A:
22.70
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.
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
 0.68A 5btaA-5l16A:
undetectable
5btaB-5l16A:
undetectable
5btaC-5l16A:
undetectable		 5btaA-5l16A:
21.91
5btaB-5l16A:
22.05
5btaC-5l16A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 SER A 174
GLY A 698
THR A 723
GLU A 721
 None
 1.09A 5btaA-5mtzA:
undetectable
5btaB-5mtzA:
undetectable
5btaC-5mtzA:
undetectable		 5btaA-5mtzA:
18.60
5btaB-5mtzA:
15.67
5btaC-5mtzA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 SER A 162
ARG A  31
GLY A  27
GLU A  28
 None
 0.76A 5btaA-5mu5A:
undetectable
5btaB-5mu5A:
undetectable
5btaC-5mu5A:
undetectable		 5btaA-5mu5A:
22.13
5btaB-5mu5A:
17.39
5btaC-5mu5A:
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.
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
 0.81A 5btaA-5n03D:
undetectable
5btaB-5n03D:
undetectable
5btaC-5n03D:
undetectable		 5btaA-5n03D:
21.53
5btaB-5n03D:
23.61
5btaC-5n03D:
21.53
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 ARG A 557
GLY A 402
GLU A 401
ARG A 537
 None
 0.82A 5btaA-5n94A:
undetectable
5btaB-5n94A:
3.1
5btaC-5n94A:
undetectable		 5btaA-5n94A:
10.42
5btaB-5n94A:
17.99
5btaC-5n94A:
10.42
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.
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
 0.79A 5btaA-5nstB:
undetectable
5btaB-5nstB:
undetectable
5btaC-5nstB:
undetectable		 5btaA-5nstB:
20.98
5btaB-5nstB:
20.83
5btaC-5nstB:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o2u CAPSID PROTEIN P24
VHH 59H10

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00607
(Gag_p24)
PF07686
(V-set) 		4 SER B  62
GLY A 208
THR A 188
GLU A 187
 None
 1.10A 5btaA-5o2uB:
undetectable
5btaB-5o2uB:
undetectable
5btaC-5o2uB:
undetectable		 5btaA-5o2uB:
15.26
5btaB-5o2uB:
22.78
5btaC-5o2uB:
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.
5ugj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 GLY A 215
THR A 207
GLU A 154
ARG A 237
 None
 1.09A 5btaA-5ugjA:
undetectable
5btaB-5ugjA:
undetectable
5btaC-5ugjA:
undetectable		 5btaA-5ugjA:
11.67
5btaB-5ugjA:
14.84
5btaC-5ugjA:
11.67
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 189
GLY B 287
GLU B 288
ARG B 315
 None
 0.98A 5btaA-5uz9B:
undetectable
5btaB-5uz9B:
undetectable
5btaC-5uz9B:
undetectable		 5btaA-5uz9B:
21.59
5btaB-5uz9B:
23.82
5btaC-5uz9B:
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.
5vj1 MDCA
MDCC

(Pseudomonas
aeruginosa;
Pseudomonas
protegens) 		PF06857
(ACP)
PF16957
(Mal_decarbox_Al) 		4 ARG C  86
GLY C  83
GLU A 466
ARG C  88
 None
 1.06A 5btaA-5vj1C:
undetectable
5btaB-5vj1C:
undetectable
5btaC-5vj1C:
undetectable		 5btaA-5vj1C:
11.13
5btaB-5vj1C:
18.03
5btaC-5vj1C:
11.13
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.
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
 0.87A 5btaA-5w4cA:
undetectable
5btaB-5w4cA:
undetectable
5btaC-5w4cA:
undetectable		 5btaA-5w4cA:
10.38
5btaB-5w4cA:
15.26
5btaC-5w4cA:
10.38
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 SER A 137
ARG A 295
GLY A 294
GLU A 291
 None
 0.97A 5btaA-5xevA:
undetectable
5btaB-5xevA:
undetectable
5btaC-5xevA:
undetectable		 5btaA-5xevA:
23.96
5btaB-5xevA:
21.84
5btaC-5xevA:
23.96
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 4 SER F  42
GLY F 413
THR F 442
ARG F 236
 None
 0.94A 5btaA-5y81F:
undetectable
5btaB-5y81F:
2.3
5btaC-5y81F:
undetectable		 5btaA-5y81F:
9.46
5btaB-5y81F:
14.34
5btaC-5y81F:
9.46
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 4 SER A1711
ARG A2533
GLY A2530
GLU A2529
 None
 1.00A 5btaA-5yz0A:
undetectable
5btaB-5yz0A:
undetectable
5btaC-5yz0A:
undetectable		 5btaA-5yz0A:
11.76
5btaB-5yz0A:
16.06
5btaC-5yz0A:
11.76
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  38
ARG A 111
GLY A  92
GLU A  93
 EWM  A 301 (-2.7A)
None
None
None
 1.02A 5btaA-6cc0A:
undetectable
5btaB-6cc0A:
undetectable
5btaC-6cc0A:
undetectable		 5btaA-6cc0A:
8.37
5btaB-6cc0A:
16.67
5btaC-6cc0A:
8.37
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ARG A 223
GLY A 470
THR A 166
GLU A 227
 None
 0.99A 5btaA-6fhwA:
undetectable
5btaB-6fhwA:
undetectable
5btaC-6fhwA:
undetectable		 5btaA-6fhwA:
15.97
5btaB-6fhwA:
14.23
5btaC-6fhwA:
15.97
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.
9rub RIBULOSE-1,5-BISPHOS
PHATE CARBOXYLASE

(Rhodospirillum
rubrum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 SER A 318
ARG A 278
GLY A 244
GLU A 245
 None
 1.04A 5btaA-9rubA:
undetectable
5btaB-9rubA:
undetectable
5btaC-9rubA:
undetectable		 5btaA-9rubA:
22.59
5btaB-9rubA:
20.29
5btaC-9rubA:
22.59