SIMILAR PATTERNS OF AMINO ACIDS FOR 1JG3_A_ADNA500

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 129
GLU A 152
ARG A 153
ASP A 232
GLY A 233
 FAD  A 600 (-3.0A)
FAD  A 600 (-2.5A)
FAD  A 600 (-3.6A)
FAD  A 600 (-3.9A)
FAD  A 600 (-3.8A)
 1.09A 1jg3A-1bhyA:
3.0		 1jg3A-1bhyA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 134
GLY A 129
ILE A 270
LEU A 128
GLY A 455
 None
FAD  A 600 (-3.0A)
None
None
None
 0.85A 1jg3A-1bhyA:
3.0		 1jg3A-1bhyA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 GLN A  18
GLY A  12
GLY A  16
ILE A  24
GLY A   9
 None
 1.12A 1jg3A-1dctA:
4.8		 1jg3A-1dctA:
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		6 GLY A  83
GLY A  85
GLU A 107
ASP A 134
GLY A 135
THR A 151
 SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-2.9A)
SAH  A 699 (-3.5A)
SAH  A 699 (-3.5A)
SAH  A 699 (-3.2A)
 0.45A 1jg3A-1dl5A:
28.2		 1jg3A-1dl5A:
27.98
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  85
GLU A 107
GLY A 135
LEU A 212
 SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-2.9A)
SAH  A 699 (-3.5A)
SAH  A 699 (-4.0A)
 1.03A 1jg3A-1dl5A:
28.2		 1jg3A-1dl5A:
27.98
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.
1eov ASPARTYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLY A 526
GLY A 528
ILE A 479
GLY A 482
LEU A 358
 None
 1.06A 1jg3A-1eovA:
undetectable		 1jg3A-1eovA:
19.39
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.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
GLY A   7
ILE A 109
LEU A   6
GLY A 306
 None
FAD  A 448 (-3.2A)
None
FAD  A 448 (-4.4A)
None
 0.87A 1jg3A-1f8wA:
3.1		 1jg3A-1f8wA:
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.
1fp3 N-ACYL-D-GLUCOSAMINE
2-EPIMERASE

(Sus scrofa) 		PF07221
(GlcNAc_2-epim) 		5 GLN A  58
GLY A  36
GLY A  87
LEU A  91
ASP A 111
 None
 1.11A 1jg3A-1fp3A:
undetectable		 1jg3A-1fp3A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  98
GLY A 100
GLU A 121
GLY A 153
LEU A 182
 None
 0.87A 1jg3A-1inlA:
7.9		 1jg3A-1inlA:
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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00117
(GATase) 		5 GLY H 154
GLY H 127
GLU H 125
GLY H 156
LEU H 148
 None
 1.09A 1jg3A-1ka9H:
undetectable		 1jg3A-1ka9H:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		6 GLN A 221
GLY A  85
ILE A 111
ASP A 141
GLY A 142
LEU A 215
 SAH  A 300 (-2.7A)
SAH  A 300 (-3.5A)
SAH  A 300 ( 4.9A)
SAH  A 300 (-3.7A)
SAH  A 300 (-3.5A)
SAH  A 300 (-4.4A)
 1.19A 1jg3A-1kr5A:
31.4		 1jg3A-1kr5A:
35.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		7 GLY A  85
GLY A  87
ILE A 111
LEU A 114
ASP A 141
GLY A 142
LEU A 215
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 4.9A)
SAH  A 300 (-4.7A)
SAH  A 300 (-3.7A)
SAH  A 300 (-3.5A)
SAH  A 300 (-4.4A)
 0.40A 1jg3A-1kr5A:
31.4		 1jg3A-1kr5A:
35.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  82
GLY A  84
GLU A 104
ASP A 141
GLY A 142
LEU A 169
 None
 0.84A 1jg3A-1mjfA:
7.8		 1jg3A-1mjfA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  83
GLU A 104
ASP A 141
GLY A 142
LEU A 169
 None
 0.87A 1jg3A-1mjfA:
7.8		 1jg3A-1mjfA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1039
GLY A1041
GLU A1037
ARG A 793
GLY A 795
 MTE  A3003 (-3.7A)
None
None
None
None
 0.96A 1jg3A-1n5xA:
undetectable		 1jg3A-1n5xA:
10.09
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1039
GLY A1041
GLU A1037
ARG A 793
GLY A 796
 MTE  A3003 (-3.7A)
None
None
None
MTE  A3003 (-3.8A)
 1.10A 1jg3A-1n5xA:
undetectable		 1jg3A-1n5xA:
10.09
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.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		5 GLY A 280
ARG A 205
ILE A 286
GLY A 206
THR A 238
 None
 0.99A 1jg3A-1phoA:
undetectable		 1jg3A-1phoA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qah PERCHLORIC ACID
SOLUBLE PROTEIN

(Rattus
norvegicus) 		PF01042
(Ribonuc_L-PSP) 		5 GLY A  37
GLU A  53
ARG A 119
LEU A  45
LEU A  82
 None
 0.96A 1jg3A-1qahA:
undetectable		 1jg3A-1qahA:
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.
1qup SUPEROXIDE DISMUTASE
1 COPPER CHAPERONE

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu)
PF00403
(HMA) 		5 GLY A 213
ILE A 192
LEU A  84
ASP A 208
THR A 146
 None
 1.11A 1jg3A-1qupA:
undetectable		 1jg3A-1qupA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 GLY A  45
GLY A  47
GLU A  66
LEU A  71
ASP A  91
 None
 0.65A 1jg3A-1qyrA:
9.2		 1jg3A-1qyrA:
20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		6 GLY A  86
GLY A  88
GLU A 115
LEU A 120
ASP A 147
GLY A 148
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.2A)
SAH  A 300 (-2.9A)
SAH  A 300 (-4.7A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.6A)
 0.21A 1jg3A-1r18A:
27.6		 1jg3A-1r18A:
36.82
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 232
GLY A  90
LEU A  91
GLY A  12
LEU A 229
 None
 1.13A 1jg3A-1uekA:
undetectable		 1jg3A-1uekA:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 GLY A  78
GLY A  80
GLU A  99
ASP A 124
GLY A 125
 None
 0.34A 1jg3A-1vbfA:
30.3		 1jg3A-1vbfA:
31.78
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLN A  27
GLY A  57
GLY A  59
GLU A  79
ASP A 105
 SAH  A1001 (-3.8A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-2.8A)
SAH  A1001 (-3.2A)
 0.95A 1jg3A-1wy7A:
11.0		 1jg3A-1wy7A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x57 ENDOTHELIAL
DIFFERENTIATION-RELA
TED FACTOR 1

(Homo sapiens) 		PF01381
(HTH_3) 		5 GLY A  59
GLU A  62
ILE A  78
ASP A  73
GLY A  71
 None
 1.01A 1jg3A-1x57A:
undetectable		 1jg3A-1x57A:
16.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 128
GLY A 130
GLU A 151
ASP A 182
GLY A 183
LEU A 212
 None
 0.75A 1jg3A-1xj5A:
8.0		 1jg3A-1xj5A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 GLY A  64
GLY A  66
GLU A  85
LEU A  90
ASP A 113
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-2.8A)
SAM  A4000 (-4.8A)
SAM  A4000 (-3.8A)
 0.58A 1jg3A-1zq9A:
10.2		 1jg3A-1zq9A:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  15
GLY A  10
ILE A 140
LEU A   9
GLY A 324
 None
FAD  A 480 (-3.2A)
None
FAD  A 480 (-4.1A)
None
 0.94A 1jg3A-2a8xA:
3.5		 1jg3A-2a8xA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjm GLYCOSYL
TRANSFERASE, GROUP 1
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 GLN A 214
ILE A 243
LEU A 246
THR A 324
LEU A 278
 None
 1.06A 1jg3A-2jjmA:
undetectable		 1jg3A-2jjmA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE
BETA-ASPARTATE
METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF01135
(PCMT) 		6 GLY A  88
GLY A  90
GLU A 116
ARG A 117
LEU A 121
LEU A 224
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
None
SAH  A 301 ( 4.1A)
SAH  A 301 (-4.3A)
 0.27A 1jg3A-2pbfA:
28.7		 1jg3A-2pbfA:
32.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
GLU A 147
ASP A 178
LEU A 207
 S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-4.4A)
 0.88A 1jg3A-2pt6A:
7.7		 1jg3A-2pt6A:
23.78
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A 190
ARG A 182
GLY A 183
THR A 192
LEU A 194
 None
None
None
SAM  A 304 (-3.6A)
None
 1.12A 1jg3A-2r3aA:
undetectable		 1jg3A-2r3aA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 489
GLY B 491
GLU B 487
ARG B 223
GLY B 225
 XAX  B1778 (-3.4A)
None
None
None
None
 1.03A 1jg3A-2w55B:
undetectable		 1jg3A-2w55B:
14.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		9 GLN A  58
GLY A  85
GLU A 109
ILE A 111
LEU A 114
ASP A 136
GLY A 137
THR A 153
LEU A 207
 None
 0.72A 1jg3A-2yxeA:
35.0		 1jg3A-2yxeA:
50.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		10 GLY A  85
GLY A  87
GLU A 109
ARG A 110
ILE A 111
LEU A 114
ASP A 136
GLY A 137
THR A 153
LEU A 207
 None
 0.46A 1jg3A-2yxeA:
35.0		 1jg3A-2yxeA:
50.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 549
GLY A 569
LEU A 568
ASP A 554
GLY A 552
 None
None
None
CA  A 627 (-2.5A)
CA  A 627 ( 4.4A)
 1.13A 1jg3A-2z8zA:
undetectable		 1jg3A-2z8zA:
14.98
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  84
GLY A  86
GLU A 107
ASP A 144
GLY A 145
LEU A 172
 None
 0.74A 1jg3A-2zsuA:
8.0		 1jg3A-2zsuA:
26.76
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLN A 118
GLY A 398
GLY A 400
LEU A 162
LEU A 352
 None
 1.11A 1jg3A-3ak5A:
undetectable		 1jg3A-3ak5A:
11.15
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		5 GLY A  54
GLY A  56
GLU A  75
LEU A  80
ASP A  99
 None
 0.52A 1jg3A-3futA:
9.2		 1jg3A-3futA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		5 GLY A  54
GLY A  56
GLU A  75
LEU A  80
LEU A 118
 None
 0.75A 1jg3A-3futA:
9.2		 1jg3A-3futA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
GLU A  59
LEU A  64
ASP A  84
 None
 0.85A 1jg3A-3fydA:
10.8		 1jg3A-3fydA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
GLU A  59
LEU A  64
ASP A  84
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
 0.81A 1jg3A-3gryA:
10.3		 1jg3A-3gryA:
23.72
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.
3h95 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 6

(Homo sapiens) 		PF00293
(NUDIX) 		5 GLN A 143
GLY A 145
LEU A 177
ASP A 186
GLY A 185
 None
 1.10A 1jg3A-3h95A:
undetectable		 1jg3A-3h95A:
24.68
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.
3k94 THIAMIN
PYROPHOSPHOKINASE

(Geobacillus
thermodenitrificans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 GLY A   9
GLY A 103
ARG A  11
LEU A  13
GLY A  33
 None
 1.12A 1jg3A-3k94A:
undetectable		 1jg3A-3k94A:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)

(Clostridium
acetobutylicum) 		PF07992
(Pyr_redox_2) 		5 GLY A  15
GLY A  10
ILE A 104
LEU A   9
GLY A 278
 None
FAD  A 401 (-3.2A)
None
FAD  A 401 (-4.7A)
None
 0.92A 1jg3A-3kljA:
undetectable		 1jg3A-3kljA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		6 GLY A 112
GLY A  67
ILE A  88
LEU A  30
GLY A 147
THR A 135
 None
 1.42A 1jg3A-3kqfA:
undetectable		 1jg3A-3kqfA:
23.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		11 GLN A  56
GLY A  83
GLY A  85
GLU A 104
ARG A 105
ILE A 106
LEU A 109
ASP A 131
GLY A 132
THR A 148
LEU A 202
 SAH  A 300 (-3.8A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.4A)
SAH  A 300 (-2.9A)
None
SAH  A 300 (-4.3A)
SAH  A 300 (-4.8A)
SAH  A 300 (-3.7A)
SAH  A 300 (-3.6A)
SAH  A 300 (-3.3A)
SAH  A 300 (-4.2A)
 0.32A 1jg3A-3lbfA:
33.1		 1jg3A-3lbfA:
36.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		6 GLN A  56
GLY A  85
GLU A 104
ARG A 105
LEU A 109
GLY A 130
 SAH  A 300 (-3.8A)
SAH  A 300 (-3.4A)
SAH  A 300 (-2.9A)
None
SAH  A 300 (-4.8A)
None
 1.40A 1jg3A-3lbfA:
33.1		 1jg3A-3lbfA:
36.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  87
GLU A 108
ASP A 140
GLY A 141
 None
 0.69A 1jg3A-3o4fA:
7.6		 1jg3A-3o4fA:
19.44
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.
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A  70
ILE A  93
LEU A  71
ASP A  86
GLY A  85
 None
 1.05A 1jg3A-3oibA:
undetectable		 1jg3A-3oibA:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		6 GLY A  49
GLY A  76
ILE A 116
LEU A  75
ASP A  55
GLY A  54
 None
None
None
None
GOL  A 496 (-3.1A)
None
 1.37A 1jg3A-3rreA:
3.3		 1jg3A-3rreA:
19.17
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 101
GLY A 103
GLU A 124
ASP A 155
GLY A 156
LEU A 184
 DSH  A 303 (-3.4A)
DSH  A 303 (-3.5A)
DSH  A 303 (-2.6A)
DSH  A 303 (-3.5A)
DSH  A 303 (-3.7A)
DSH  A 303 (-4.2A)
 0.77A 1jg3A-3rw9A:
7.5		 1jg3A-3rw9A:
22.08
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY C1039
GLY C1041
GLU C1037
ARG C 793
GLY C 795
 MTE  C1316 (-3.3A)
None
None
None
None
 0.97A 1jg3A-3sr6C:
undetectable		 1jg3A-3sr6C:
15.24
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.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 GLY A  40
GLY A  42
GLU A  61
LEU A  66
ASP A  86
 None
 0.95A 1jg3A-3tqsA:
9.6		 1jg3A-3tqsA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 GLY A  40
GLY A  42
GLU A  61
LEU A  66
LEU A 107
 None
 0.95A 1jg3A-3tqsA:
9.6		 1jg3A-3tqsA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		6 GLY A 810
GLY A 808
GLU A 551
ILE A 881
ASP A 531
THR A 915
 None
 1.41A 1jg3A-3u44A:
2.4		 1jg3A-3u44A:
10.79
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A  46
GLY A  48
GLU A  71
LEU A  76
ASP A  94
 None
 0.65A 1jg3A-3uzuA:
8.7		 1jg3A-3uzuA:
19.27
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A  46
GLY A  48
GLU A  71
LEU A  76
LEU A 118
 None
 1.11A 1jg3A-3uzuA:
8.7		 1jg3A-3uzuA:
19.27
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A1638
GLY A1619
GLY A1621
ILE A1557
GLY A1641
 None
 1.03A 1jg3A-3va7A:
3.0		 1jg3A-3va7A:
11.08
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
GLY A 106
GLU A 133
ASP A 174
LEU A 203
 SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-4.6A)
 0.73A 1jg3A-3vywA:
7.4		 1jg3A-3vywA:
25.62
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 GLY A 583
LEU A 240
ASP A 586
GLY A 587
THR A 448
 None
 1.04A 1jg3A-3wkyA:
undetectable		 1jg3A-3wkyA:
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1044
GLY A1046
GLU A1042
ARG A 798
GLY A 800
 MTE  A3003 (-3.8A)
None
None
None
None
 0.97A 1jg3A-3zyvA:
undetectable		 1jg3A-3zyvA:
10.25
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.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		5 GLY A 757
ILE A 682
LEU A 745
ASP A 740
GLY A 589
 None
 1.12A 1jg3A-4duuA:
undetectable		 1jg3A-4duuA:
14.54
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.
4hf0 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ISCR

(Escherichia
coli) 		PF02082
(Rrf2) 		5 GLY A  64
ILE A  31
LEU A  28
GLY A  24
LEU A  66
 None
 1.00A 1jg3A-4hf0A:
undetectable		 1jg3A-4hf0A:
23.83
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  18
GLY A  13
ILE A 143
LEU A  12
GLY A 328
 None
FAD  A 512 (-3.1A)
None
FAD  A 512 (-4.7A)
None
 0.84A 1jg3A-4jq9A:
2.8		 1jg3A-4jq9A:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		10 GLY A  83
GLY A  85
GLU A 104
ARG A 105
ILE A 106
LEU A 109
ASP A 131
GLY A 132
THR A 148
LEU A 202
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.7A)
ACT  A 303 ( 2.4A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.0A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.3A)
 0.33A 1jg3A-4l7vA:
27.7		 1jg3A-4l7vA:
36.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		5 GLY A 354
ARG A 356
ILE A 360
LEU A 361
THR A 170
 None
 1.10A 1jg3A-4nesA:
undetectable		 1jg3A-4nesA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nvr PUTATIVE
ACYLTRANSFERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 GLY A 119
GLY A 122
ILE A  98
LEU A 125
GLY A  45
 None
 1.11A 1jg3A-4nvrA:
undetectable		 1jg3A-4nvrA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		6 GLY A  80
GLY A  82
ARG A 205
GLY A 133
THR A 149
LEU A 204
 SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-4.6A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.3A)
SAH  A 500 (-4.3A)
 0.93A 1jg3A-4o29A:
33.2		 1jg3A-4o29A:
47.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		8 GLY A  80
GLY A  82
GLU A 104
LEU A 109
ASP A 132
GLY A 133
THR A 149
LEU A 204
 SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-2.8A)
SAH  A 500 (-3.8A)
SAH  A 500 (-4.0A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.3A)
SAH  A 500 (-4.3A)
 0.43A 1jg3A-4o29A:
33.2		 1jg3A-4o29A:
47.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4omu SHIKIMATE
DEHYDROGENASE

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 133
GLY A 102
LEU A 105
GLY A 128
LEU A 159
 None
 1.11A 1jg3A-4omuA:
5.2		 1jg3A-4omuA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4omu SHIKIMATE
DEHYDROGENASE

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 133
GLY A 102
LEU A 105
GLY A 129
LEU A 159
 None
 1.11A 1jg3A-4omuA:
5.2		 1jg3A-4omuA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLN A 493
GLY A 479
GLY A  72
GLY A 476
LEU A 502
 None
 1.13A 1jg3A-4qaxA:
4.3		 1jg3A-4qaxA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 GLY A  93
ILE A  34
LEU A  90
GLY A  37
THR A 138
 None
 1.11A 1jg3A-4qgsA:
undetectable		 1jg3A-4qgsA:
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		5 GLN A  97
GLY A  69
GLU A  96
LEU A  98
THR A 329
 FAD  A 701 (-4.2A)
FAD  A 701 (-3.4A)
FAD  A 701 (-3.6A)
FAD  A 701 (-4.3A)
FAD  A 701 (-4.4A)
 1.07A 1jg3A-4uirA:
2.7		 1jg3A-4uirA:
16.33
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
GLU A 147
ASP A 178
LEU A 207
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-4.4A)
 0.89A 1jg3A-4uoeA:
7.7		 1jg3A-4uoeA:
23.33
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		5 GLN A  14
GLY A 130
GLY A 320
ASP A  34
THR A 131
 FAD  A1355 (-3.0A)
FAD  A1355 (-3.3A)
FAD  A1355 (-4.4A)
FAD  A1355 (-2.9A)
None
 1.11A 1jg3A-4usrA:
2.1		 1jg3A-4usrA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4who PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C) 		5 GLY A  60
GLY A  58
ILE A 189
ASP A 186
LEU A  62
 None
 1.12A 1jg3A-4whoA:
undetectable		 1jg3A-4whoA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xe7 UNCHARACTERIZED
PROTEIN

(Bacillus
thuringiensis) 		no annotation 5 GLY A 377
GLY A 373
LEU A 237
ASP A 383
LEU A 345
 None
 1.10A 1jg3A-4xe7A:
undetectable		 1jg3A-4xe7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1039
GLY A1041
GLU A1037
ARG A 793
GLY A 795
 None
 0.96A 1jg3A-4yswA:
undetectable		 1jg3A-4yswA:
10.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5axi E3 UBIQUITIN-PROTEIN
LIGASE CBL-B

(Mus musculus) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		5 GLY A 281
ILE A 306
LEU A 273
ASP A 303
GLY A 302
 None
 1.07A 1jg3A-5axiA:
undetectable		 1jg3A-5axiA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 468
ILE A 541
LEU A 474
GLY A 382
LEU A 428
 None
None
None
None
ADP  A1103 (-4.0A)
 0.94A 1jg3A-5b7iA:
undetectable		 1jg3A-5b7iA:
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		5 GLY A  31
GLY A  33
GLU A  53
LEU A  58
ASP A  81
 SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
SAH  A 201 (-2.8A)
SAH  A 201 (-4.4A)
SAH  A 201 (-3.6A)
 0.32A 1jg3A-5bxyA:
12.1		 1jg3A-5bxyA:
20.17
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1048
GLY A1050
GLU A1046
ARG A 802
GLY A 804
 MTE  A3003 (-3.5A)
None
None
None
None
 0.95A 1jg3A-5epgA:
undetectable		 1jg3A-5epgA:
10.60
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.
5h6b PUTATIVE SECRETED
LIPASE

(Streptomyces
sp. W007) 		PF01674
(Lipase_2) 		5 GLN A 170
GLY A  37
GLY A  76
ILE A  80
GLY A 107
 None
 1.12A 1jg3A-5h6bA:
undetectable		 1jg3A-5h6bA:
20.00
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		5 GLY A  13
GLY A 269
ILE A 271
LEU A 332
GLY A  17
 None
 1.11A 1jg3A-5i33A:
undetectable		 1jg3A-5i33A:
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLN A1638
GLY A1619
GLY A1621
ILE A1557
GLY A1641
 None
 1.03A 1jg3A-5i8iA:
3.0		 1jg3A-5i8iA:
8.31
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 GLN A  71
GLY A 346
GLY A 348
LEU A 115
LEU A 300
 None
 1.09A 1jg3A-5j44A:
undetectable		 1jg3A-5j44A:
11.05
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.
5k8g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 GLY A 452
GLY A 455
GLU A 482
ILE A 502
GLY A 437
 None
 1.01A 1jg3A-5k8gA:
undetectable		 1jg3A-5k8gA:
15.84
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF02538
(Hydantoinase_B)
PF05378
(Hydant_A_N) 		5 GLY B 141
GLY B  99
ARG B 143
LEU A 542
THR B  96
 None
 1.07A 1jg3A-5l9wB:
undetectable		 1jg3A-5l9wB:
16.62
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLY B 391
GLY B 360
ILE B 363
ASP B 368
THR B 406
 None
 1.02A 1jg3A-5ldrB:
undetectable		 1jg3A-5ldrB:
13.59
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14

(Schizosaccharomyces
pombe) 		PF08638
(Med14) 		5 GLY A 433
ILE A 394
ASP A 365
GLY A 325
LEU A 313
 None
 1.12A 1jg3A-5n9jA:
undetectable		 1jg3A-5n9jA:
16.07
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.
5ojq HAEMOLYSIN
CO-REGULATED PROTEIN

(Vibrio cholerae) 		PF05638
(T6SS_HCP) 		5 GLY 1  15
GLY 1  11
ILE 1   9
LEU 1  91
ASP 1  37
 None
 1.10A 1jg3A-5ojq1:
undetectable		 1jg3A-5ojq1:
19.49
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLN A 566
GLY A 532
GLU A 531
GLY A 519
THR A 534
 TRS  A 703 ( 3.0A)
None
TRS  A 703 ( 4.6A)
None
CL  A 704 ( 4.4A)
 0.98A 1jg3A-5opqA:
undetectable		 1jg3A-5opqA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t7a BH0236 PROTEIN

(Bacillus
halodurans) 		no annotation 5 GLY A 943
ILE A 951
ASP A 930
GLY A 929
THR A 945
 None
 0.99A 1jg3A-5t7aA:
undetectable		 1jg3A-5t7aA:
15.57
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 129
GLY A 124
ILE A 265
LEU A 123
GLY A 450
 None
FAD  A 601 (-3.3A)
None
FAD  A 601 (-4.9A)
None
 0.85A 1jg3A-5u25A:
undetectable		 1jg3A-5u25A:
16.53
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.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-6

(Homo sapiens) 		no annotation 5 GLY G 158
ILE G 118
ASP G  86
GLY G 135
THR G 126
 None
 1.13A 1jg3A-5vfrG:
undetectable		 1jg3A-5vfrG:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 501
GLY A 503
GLU A 524
ASP A 551
GLY A 552
 SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
SAH  A 705 (-2.7A)
SAH  A 705 (-3.4A)
SAH  A 705 (-3.8A)
 0.74A 1jg3A-5wcjA:
8.6		 1jg3A-5wcjA:
23.17
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.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 5 GLY A 336
GLY A 384
ILE A 470
ASP A 473
THR A 333
 None
CAP  A 501 (-4.1A)
None
None
None
 1.07A 1jg3A-6ftlA:
undetectable		 1jg3A-6ftlA:
16.22