SIMILAR PATTERNS OF AMINO ACIDS FOR 3FUU_A_ADNA0

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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		5 VAL A  33
GLY A  30
GLY A  97
ALA B  51
ILE B  35
 None
 0.96A 3fuuA-1cp9A:
undetectable		 3fuuA-1cp9A:
20.28
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 VAL A   8
GLY A   9
GLY A  11
ALA A  77
ILE A 261
 FAD  A 699 (-4.3A)
FAD  A 699 (-3.5A)
FAD  A 699 (-3.5A)
FAD  A 699 (-3.2A)
FAD  A 699 (-3.7A)
 0.95A 3fuuA-1fcdA:
3.0		 3fuuA-1fcdA:
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.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 VAL A  83
GLY A  84
GLY A  86
ASP A 109
ASP A 138
 None
 0.74A 3fuuA-1iy9A:
10.4		 3fuuA-1iy9A:
24.28
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		6 GLN A  72
VAL A  98
GLY A  99
GLY A 101
GLU A 121
ASP A 148
 ADN  A 500 (-3.7A)
None
ADN  A 500 (-3.2A)
ADN  A 500 (-3.4A)
ADN  A 500 (-2.9A)
ADN  A 500 (-3.7A)
 0.91A 3fuuA-1jg3A:
9.4		 3fuuA-1jg3A:
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 VAL A  40
GLY A  41
GLY A  43
ASP A  90
ALA A  91
 None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-3.8A)
SAH  A 801 (-3.2A)
 0.36A 3fuuA-1l3iA:
14.7		 3fuuA-1l3iA:
23.91
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  82
GLY A  84
GLU A 104
ASP A 106
ASP A 141
 None
 0.58A 3fuuA-1mjfA:
11.3		 3fuuA-1mjfA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		5 GLY A  65
GLU A  88
ASP A 113
ALA A 114
ILE A 142
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
None
 0.95A 3fuuA-1nt2A:
12.2		 3fuuA-1nt2A:
20.22
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.
1q18 GLUCOKINASE

(Escherichia
coli) 		PF02685
(Glucokinase) 		6 GLY A 310
GLY A 308
ASP A  58
ALA A   5
HIS A 319
ILE A  22
 None
 1.40A 3fuuA-1q18A:
undetectable		 3fuuA-1q18A:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		7 GLY A  45
GLY A  47
GLU A  66
ASP A  68
ALA A  92
PRO A 115
ILE A 118
 None
 0.83A 3fuuA-1qyrA:
26.8		 3fuuA-1qyrA:
36.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		7 GLY A  45
GLY A  47
GLU A  66
ASP A  91
ALA A  92
PRO A 115
ILE A 118
 None
 0.80A 3fuuA-1qyrA:
26.8		 3fuuA-1qyrA:
36.05
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.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 VAL A 189
GLY A 190
GLY A 192
GLU A 213
ASP A 240
 None
SAM  A 635 (-3.8A)
SAM  A 635 (-3.5A)
SAM  A 635 (-2.9A)
SAM  A 635 (-3.7A)
 0.75A 3fuuA-1qzzA:
10.7		 3fuuA-1qzzA:
26.74
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.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 VAL A 189
GLY A 190
GLY A 192
GLU A 213
ILE A 269
 None
SAM  A 635 (-3.8A)
SAM  A 635 (-3.5A)
SAM  A 635 (-2.9A)
None
 0.87A 3fuuA-1qzzA:
10.7		 3fuuA-1qzzA:
26.74
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.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		5 VAL A  85
GLY A  86
GLY A  88
GLU A 115
ASP A 147
 None
SAH  A 300 (-3.4A)
SAH  A 300 (-3.2A)
SAH  A 300 (-2.9A)
SAH  A 300 (-3.6A)
 0.46A 3fuuA-1r18A:
8.9		 3fuuA-1r18A:
22.02
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 GLN A  27
GLY A  57
GLY A  59
GLU A  79
ASP A  81
ASP A 105
 SAH  A1001 (-3.8A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-2.8A)
None
SAH  A1001 (-3.2A)
 0.48A 3fuuA-1wy7A:
16.8		 3fuuA-1wy7A:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLN A  27
GLY A  59
ASP A  81
ASP A 105
PRO A 121
 SAH  A1001 (-3.8A)
SAH  A1001 (-3.3A)
None
SAH  A1001 (-3.2A)
None
 0.86A 3fuuA-1wy7A:
16.8		 3fuuA-1wy7A:
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 169
GLY A 171
GLU A 192
ASP A 194
ALA A 239
 NAD  A 600 ( 3.8A)
NAD  A 600 (-3.3A)
NAD  A 600 (-2.7A)
None
NAD  A 600 (-3.6A)
 0.90A 3fuuA-1x87A:
5.9		 3fuuA-1x87A:
20.93
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLY A 130
GLU A 151
ASP A 153
ASP A 182
 None
 0.45A 3fuuA-1xj5A:
11.9		 3fuuA-1xj5A:
22.00
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		6 VAL A  97
GLY A  98
GLY A 100
GLU A 122
ASP A 124
ASP A 150
 None
 0.73A 3fuuA-1yb2A:
11.4		 3fuuA-1yb2A:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		6 GLY A  66
GLU A  85
ASP A  87
ASP A 113
PRO A 130
ILE A 133
 SAM  A4000 (-3.2A)
SAM  A4000 (-2.8A)
None
SAM  A4000 (-3.8A)
SAM  A4000 (-4.1A)
SAM  A4000 ( 4.5A)
 0.77A 3fuuA-1zq9A:
25.3		 3fuuA-1zq9A:
31.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		7 VAL A  63
GLY A  64
GLY A  66
GLU A  85
ASP A  87
ASP A 113
ILE A 133
 None
SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-2.8A)
None
SAM  A4000 (-3.8A)
SAM  A4000 ( 4.5A)
 0.58A 3fuuA-1zq9A:
25.3		 3fuuA-1zq9A:
31.15
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		6 VAL A  45
GLY A  46
GLY A  48
GLU A  69
ASP A  96
ALA A  97
 None
K  A 250 (-3.9A)
None
None
None
None
 1.04A 3fuuA-2fcaA:
9.8		 3fuuA-2fcaA:
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 170
GLY A 172
GLU A 193
ASP A 195
ALA A 240
 NAD  A5555 ( 4.0A)
NAD  A5555 (-3.3A)
NAD  A5555 (-2.8A)
None
NAD  A5555 (-3.6A)
 0.73A 3fuuA-2fknA:
6.6		 3fuuA-2fknA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 GLY A  62
GLU A  82
ASP A  84
ALA A 110
PRO A 129
 None
None
None
CL  A 401 (-3.8A)
None
 0.82A 3fuuA-2fpoA:
13.5		 3fuuA-2fpoA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		5 VAL A  41
GLY A  42
GLY A  44
GLU A  71
ALA A 167
 FAD  A 611 (-4.9A)
FAD  A 611 (-3.3A)
FAD  A 611 (-3.7A)
FAD  A 611 (-2.9A)
FAD  A 611 (-3.3A)
 0.80A 3fuuA-2gmhA:
3.6		 3fuuA-2gmhA:
18.94
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLY A  62
GLU A  85
ASP A  87
ASP A 113
ALA A 114
 None
None
None
ZN  A 306 ( 4.7A)
None
 0.50A 3fuuA-2gpyA:
14.3		 3fuuA-2gpyA:
25.44
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  73
GLY A  75
GLU A  96
ASP A  98
PRO A 149
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-2.8A)
None
SAH  A 300 (-4.0A)
 0.71A 3fuuA-2h00A:
12.8		 3fuuA-2h00A:
24.24
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.
2hmc DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 GLY A  77
GLY A  47
ALA A  90
HIS A 120
ILE A 124
 None
None
None
MG  A 502 (-4.6A)
None
 0.89A 3fuuA-2hmcA:
undetectable		 3fuuA-2hmcA:
25.07
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 GLY A  20
GLU A  40
ASP A  42
ASP A  60
PRO A  80
 SAH  A 328 (-3.3A)
SAH  A 328 (-2.8A)
None
SAH  A 328 (-3.6A)
SAH  A 328 (-4.0A)
 0.82A 3fuuA-2i9kA:
8.2		 3fuuA-2i9kA:
19.94
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 VAL A 123
GLY A 124
GLY A 126
GLU A 147
ASP A 149
ASP A 178
ALA A 179
 None
S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
None
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
 0.57A 3fuuA-2pt6A:
11.5		 3fuuA-2pt6A:
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.
2q66 POLY(A) POLYMERASE

(Saccharomyces
cerevisiae) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		5 GLN A 164
GLY A  82
ASP A  79
PRO A 108
HIS A 110
 None
 0.85A 3fuuA-2q66A:
undetectable		 3fuuA-2q66A:
20.60
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 GLY A  86
GLY A  88
GLU A 121
LYS A 122
ASP A 176
 None
 0.45A 3fuuA-2qy6A:
9.9		 3fuuA-2qy6A:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		5 VAL A  53
GLY A  38
GLY A  20
ALA A 106
ILE A 104
 None
 0.93A 3fuuA-2vc2A:
undetectable		 3fuuA-2vc2A:
22.72
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A 198
GLY A 197
GLY A 174
ALA A 150
ILE A 154
 None
 0.91A 3fuuA-2wgeA:
undetectable		 3fuuA-2wgeA:
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		5 GLY A 245
GLU A 264
ASP A  28
ALA A  29
PRO A  49
 None
 0.91A 3fuuA-2zieA:
4.3		 3fuuA-2zieA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 GLY A 241
GLY A 243
GLU A 262
ASP A 264
ASP A 288
 SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 (-2.7A)
None
SAH  A 376 (-4.1A)
 0.51A 3fuuA-2zwvA:
10.6		 3fuuA-2zwvA:
27.13
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 VAL A  84
GLY A  85
GLY A  87
ASP A 110
ASP A 140
ALA A 141
 None
MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 0.57A 3fuuA-3anxA:
10.4		 3fuuA-3anxA:
26.44
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 VAL A  68
GLY A  69
GLY A  71
ASP A 119
ALA A 120
 None
SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-3.6A)
SAH  A 274 (-3.5A)
 0.67A 3fuuA-3busA:
12.3		 3fuuA-3busA:
27.85
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 VAL A  77
GLY A  78
ASP A 104
ASP A 130
ALA A 131
 None
SAH  A 464 (-3.7A)
None
SAH  A 464 (-4.1A)
SAH  A 464 (-3.5A)
 0.66A 3fuuA-3c3yA:
13.4		 3fuuA-3c3yA:
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 200
GLU A 220
ASP A 222
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
None
MTA  A 401 (-3.6A)
 0.51A 3fuuA-3c6mA:
11.8		 3fuuA-3c6mA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		5 GLY A  42
GLY A  44
GLU A  66
ASP A  86
ALA A  87
 None
None
None
SO4  A 201 (-4.4A)
None
 0.78A 3fuuA-3c85A:
7.1		 3fuuA-3c85A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLY A  71
GLY A  73
GLU A  94
ALA A 122
ILE A 156
 None
 0.73A 3fuuA-3dxxA:
9.4		 3fuuA-3dxxA:
26.24
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.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLY A  71
GLY A  73
GLU A  94
ASP A 121
ALA A 122
 None
 0.51A 3fuuA-3dxxA:
9.4		 3fuuA-3dxxA:
26.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		7 VAL A  53
GLY A  54
GLY A  56
GLU A  75
ASP A  77
ASP A  99
ALA A 100
 None
 0.29A 3fuuA-3futA:
35.5		 3fuuA-3futA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		8 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ASP A  84
ALA A  85
PRO A 103
ILE A 106
 None
 0.60A 3fuuA-3fydA:
26.8		 3fuuA-3fydA:
28.81
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 GLY A   9
GLU A  29
ASP A  31
ASP A  51
PRO A  78
 None
 0.87A 3fuuA-3g7uA:
8.9		 3fuuA-3g7uA:
22.60
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		8 GLY A  38
GLY A  40
GLU A  59
ASP A  61
ASP A  84
ALA A  85
PRO A 103
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
None
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
 0.55A 3fuuA-3gryA:
26.7		 3fuuA-3gryA:
29.90
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.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		5 GLY A 135
GLU A 155
LYS A 156
ASP A 157
ASP A 183
 None
 0.72A 3fuuA-3k6rA:
13.0		 3fuuA-3k6rA:
22.15
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 VAL A  31
GLY A  32
GLY A  34
ASP A  57
ALA A  87
 None
SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
None
SAH  A 216 (-3.5A)
 0.90A 3fuuA-3mq2A:
8.5		 3fuuA-3mq2A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oz2 DIGERANYLGERANYLGLYC
EROPHOSPHOLIPID
REDUCTASE

(Thermoplasma
acidophilum) 		PF01494
(FAD_binding_3) 		6 VAL A   9
GLY A  10
GLY A  11
GLU A  33
LYS A  34
ALA A 124
 FAD  A 501 ( 4.8A)
FAD  A 501 (-3.4A)
FAD  A 501 ( 4.7A)
FAD  A 501 (-2.7A)
None
FAD  A 501 (-3.8A)
 1.01A 3fuuA-3oz2A:
2.8		 3fuuA-3oz2A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oz2 DIGERANYLGERANYLGLYC
EROPHOSPHOLIPID
REDUCTASE

(Thermoplasma
acidophilum) 		PF01494
(FAD_binding_3) 		6 VAL A   9
GLY A  10
GLY A  12
GLU A  33
LYS A  34
ALA A 124
 FAD  A 501 ( 4.8A)
FAD  A 501 (-3.4A)
FAD  A 501 (-3.4A)
FAD  A 501 (-2.7A)
None
FAD  A 501 (-3.8A)
 1.01A 3fuuA-3oz2A:
2.8		 3fuuA-3oz2A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
GLU A 101
LYS A 102
ASP A 156
 SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-2.6A)
SAM  A 670 (-4.9A)
SAM  A 670 (-3.5A)
 0.55A 3fuuA-3ps9A:
undetectable		 3fuuA-3ps9A:
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  66
GLY A  68
GLU A 101
LYS A 102
ASP A 156
 None
 0.66A 3fuuA-3pvcA:
8.8		 3fuuA-3pvcA:
18.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r9x RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Aquifex
aeolicus) 		PF00398
(RrnaAD) 		7 VAL B  37
GLY B  38
GLU B  60
ASP B  62
ASP B  83
ALA B  84
PRO B 103
 None
 1.06A 3fuuA-3r9xB:
23.0		 3fuuA-3r9xB:
31.90
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 101
GLY A 103
GLU A 124
ASP A 126
ASP A 155
 DSH  A 303 (-3.4A)
DSH  A 303 (-3.5A)
DSH  A 303 (-2.6A)
None
DSH  A 303 (-3.5A)
 0.53A 3fuuA-3rw9A:
11.2		 3fuuA-3rw9A:
19.57
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 227
GLU A 248
LYS A 249
ALA A 277
PRO A 295
 SFG  A 401 ( 3.7A)
SFG  A 401 (-2.6A)
SFG  A 401 (-4.9A)
SFG  A 401 (-3.1A)
SFG  A 401 ( 4.4A)
 0.96A 3fuuA-3tm5A:
14.5		 3fuuA-3tm5A:
23.97
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 227
GLU A 248
LYS A 249
ASP A 276
ALA A 277
 SFG  A 401 ( 3.7A)
SFG  A 401 (-2.6A)
SFG  A 401 (-4.9A)
SFG  A 401 (-3.4A)
SFG  A 401 (-3.1A)
 0.87A 3fuuA-3tm5A:
14.5		 3fuuA-3tm5A:
23.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		6 GLY A  40
GLY A  42
GLU A  61
ASP A  63
ALA A  87
ILE A 111
 None
 0.81A 3fuuA-3tqsA:
26.4		 3fuuA-3tqsA:
33.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		6 GLY A  40
GLY A  42
GLU A  61
ASP A  63
ASP A  86
ALA A  87
 None
 0.68A 3fuuA-3tqsA:
26.4		 3fuuA-3tqsA:
33.45
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 VAL A   8
GLY A   9
GLY A  12
ASP A  56
ALA A  57
 None
None
SO4  A 406 (-3.5A)
None
None
 0.87A 3fuuA-3tz6A:
5.7		 3fuuA-3tz6A:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A  32
GLY A  33
GLU A  58
ASP A  60
ALA A  80
 None
 0.95A 3fuuA-3u3xA:
5.2		 3fuuA-3u3xA:
24.19
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 181
GLY A 182
GLY A 184
GLU A 205
ILE A 150
 None
 0.87A 3fuuA-3urhA:
3.0		 3fuuA-3urhA:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		7 GLY A  46
GLY A  48
GLU A  71
ASP A  73
ASP A  94
ALA A  95
ILE A 122
 None
 0.64A 3fuuA-3uzuA:
24.8		 3fuuA-3uzuA:
37.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A  48
ASP A  73
ASP A  94
PRO A 119
ILE A 122
 None
 0.89A 3fuuA-3uzuA:
24.8		 3fuuA-3uzuA:
37.54
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		6 VAL B   8
GLY B   9
GLY B  11
GLU B  34
ALA B  77
ILE B 261
 FAD  B 501 (-4.6A)
FAD  B 501 (-3.4A)
FAD  B 501 (-3.2A)
FAD  B 501 (-2.7A)
FAD  B 501 (-3.8A)
FAD  B 501 (-3.6A)
 0.93A 3fuuA-3vrdB:
2.3		 3fuuA-3vrdB:
22.60
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		6 GLY A 104
GLY A 106
GLU A 133
LYS A 134
ASP A 174
ALA A 175
 SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
 0.60A 3fuuA-3vywA:
9.5		 3fuuA-3vywA:
24.14
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		6 VAL A 103
GLY A 104
GLY A 106
GLU A 133
LYS A 134
ASP A 174
 None
SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.4A)
 0.90A 3fuuA-3vywA:
9.5		 3fuuA-3vywA:
24.14
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.
4cz1 KYNURENINE
FORMAMIDASE

(Bacillus
anthracis) 		PF04199
(Cyclase) 		5 VAL A  68
ASP A  72
ALA A  57
PRO A 191
ILE A  55
 None
 0.86A 3fuuA-4cz1A:
undetectable		 3fuuA-4cz1A:
21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		7 GLY A  63
GLY A  65
GLU A  85
LYS A  86
ASP A  87
ASP A 111
PRO A 143
 ACT  A 402 (-3.4A)
None
ACT  A 402 (-2.9A)
None
None
None
ACT  A 402 ( 4.9A)
 1.14A 3fuuA-4gc5A:
25.0		 3fuuA-4gc5A:
31.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		7 VAL A  62
GLY A  63
GLY A  65
GLU A  85
LYS A  86
ASP A  87
ASP A 111
 None
ACT  A 402 (-3.4A)
None
ACT  A 402 (-2.9A)
None
None
None
 0.75A 3fuuA-4gc5A:
25.0		 3fuuA-4gc5A:
31.87
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
ASP A 281
ALA A 282
ILE A 304
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.6A)
SAH  A 501 ( 4.5A)
 0.52A 3fuuA-4ineA:
12.5		 3fuuA-4ineA:
21.27
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		7 VAL A 238
GLY A 239
GLY A 241
GLU A 261
ASP A 263
ASP A 283
ALA A 284
 None
AGS  A 502 (-3.3A)
AGS  A 502 (-3.1A)
AGS  A 502 (-2.4A)
None
AGS  A 502 (-2.9A)
AGS  A 502 (-3.2A)
 0.97A 3fuuA-4j9vA:
9.8		 3fuuA-4j9vA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		8 GLY A  50
GLY A  52
GLU A  72
ASP A  74
ALA A  98
PRO A 118
HIS A 120
ILE A 121
 None
 0.78A 3fuuA-4jxjA:
28.3		 3fuuA-4jxjA:
35.29
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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		5 VAL A 238
GLY A 231
ALA A 185
PRO A 226
ILE A 221
 None
 0.93A 3fuuA-4kqkA:
undetectable		 3fuuA-4kqkA:
23.81
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 230
ASP A 277
ALA A 278
ILE A 300
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.7A)
SAH  A 701 (-4.5A)
 0.53A 3fuuA-4kriA:
12.7		 3fuuA-4kriA:
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		5 VAL A  79
GLY A  80
GLY A  82
GLU A 104
ASP A 132
 None
SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-2.8A)
SAH  A 500 (-4.0A)
 0.51A 3fuuA-4o29A:
9.8		 3fuuA-4o29A:
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 VAL A  63
GLY A  64
GLU A  88
ASP A  90
ALA A 117
 None
SAM  A 301 (-3.4A)
SAM  A 301 (-2.6A)
SAM  A 301 (-4.1A)
SAM  A 301 (-3.3A)
 0.87A 3fuuA-4pclA:
14.0		 3fuuA-4pclA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA
PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 VAL A  35
GLY A  32
GLY A  99
ALA B  51
ILE B  35
 None
 0.94A 3fuuA-4pelA:
undetectable		 3fuuA-4pelA:
21.38
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		5 VAL A  79
GLY A  80
GLY A  82
ASP A 130
ALA A 131
 None
SAH  A 301 (-2.7A)
SAH  A 301 (-2.9A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.5A)
 0.59A 3fuuA-4pneA:
11.9		 3fuuA-4pneA:
24.12
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		7 VAL A 123
GLY A 124
GLY A 126
GLU A 147
ASP A 149
ASP A 178
ALA A 179
 None
MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.54A 3fuuA-4uoeA:
11.6		 3fuuA-4uoeA:
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 VAL A   9
GLY A  10
GLU A  34
LYS A  35
ASP A 220
 FDA  A 403 ( 4.8A)
FDA  A 403 (-3.1A)
FDA  A 403 (-2.7A)
None
FDA  A 403 (-3.7A)
 0.70A 3fuuA-4xgkA:
3.6		 3fuuA-4xgkA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 VAL A   9
GLY A  10
GLY A  12
LYS A  35
ASP A 220
 FDA  A 403 ( 4.8A)
FDA  A 403 (-3.1A)
FDA  A 403 (-3.3A)
None
FDA  A 403 (-3.7A)
 0.90A 3fuuA-4xgkA:
3.6		 3fuuA-4xgkA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvh CARBOHYDRATE
ESTERASE FAMILY 2
(CE2)

(Chaetomium) 		PF13472
(Lipase_GDSL_2) 		5 VAL A  45
GLY A  44
GLY A  42
ASP A  68
ILE A  56
 None
 0.88A 3fuuA-4xvhA:
2.7		 3fuuA-4xvhA:
23.92
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 VAL A  11
GLY A  12
GLY A  14
GLU A  36
ALA A 235
ILE A 283
 None
FAD  A 601 (-3.3A)
FAD  A 601 (-3.4A)
FAD  A 601 (-2.7A)
FAD  A 601 (-3.5A)
None
 1.06A 3fuuA-4ynuA:
undetectable		 3fuuA-4ynuA:
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		5 GLY A  31
GLY A  33
GLU A  53
ASP A  55
ASP A  81
 SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
SAH  A 201 (-2.8A)
None
SAH  A 201 (-3.6A)
 0.65A 3fuuA-5bxyA:
14.5		 3fuuA-5bxyA:
23.19
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.
5czj DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		5 GLY A  97
GLY A  67
ALA A 110
HIS A 140
ILE A 144
 None
 0.94A 3fuuA-5czjA:
undetectable		 3fuuA-5czjA:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		6 VAL A 185
GLY A 163
GLY A 165
GLU A 186
LYS A 187
ASP A 222
 None
 1.35A 3fuuA-5dtrA:
10.4		 3fuuA-5dtrA:
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 GLY A 197
GLU A 216
ASP A   8
ALA A   9
PRO A  31
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.2A)
SAM  A 301 ( 4.0A)
 0.86A 3fuuA-5hfjA:
3.5		 3fuuA-5hfjA:
21.38
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 VAL A  60
GLY A  61
GLY A  63
GLU A  84
ALA A 227
 FAD  A 501 (-4.6A)
FAD  A 501 (-3.2A)
FAD  A 501 (-3.3A)
FAD  A 501 (-2.7A)
FAD  A 501 (-3.7A)
 0.85A 3fuuA-5i39A:
4.4		 3fuuA-5i39A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  18
ASP A  42
ASP A  61
ILE A 112
 NAD  A 401 (-3.5A)
NAD  A 401 ( 4.0A)
None
NAD  A 401 (-3.7A)
NAD  A 401 (-4.0A)
 0.85A 3fuuA-5jlaA:
5.0		 3fuuA-5jlaA:
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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		5 VAL A 186
GLY A 187
GLY A 189
GLU A 210
ASP A 237
 None
SAH  A 401 (-3.9A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.7A)
 0.70A 3fuuA-5jr3A:
9.9		 3fuuA-5jr3A:
25.07
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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		6 GLY A  14
GLY A  17
ASP A  40
ASP A  63
ALA A  64
ILE A 113
 NAD  A 300 ( 3.8A)
NAD  A 300 (-3.3A)
None
NAD  A 300 (-3.5A)
NAD  A 300 (-3.4A)
NAD  A 300 ( 4.1A)
 1.16A 3fuuA-5t5qA:
5.6		 3fuuA-5t5qA:
20.78
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.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		5 VAL C 687
GLY C 639
ASP C 655
ASP C 636
ALA C 635
 None
 0.93A 3fuuA-5tw1C:
undetectable		 3fuuA-5tw1C:
14.25
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.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  15
GLY A  17
GLU A  38
ALA A 119
ILE A 274
 FAD  A 501 (-3.3A)
FAD  A 501 (-3.2A)
FAD  A 501 (-2.6A)
FAD  A 501 (-3.7A)
FAD  A 501 (-4.6A)
 0.94A 3fuuA-5u1oA:
3.5		 3fuuA-5u1oA:
21.27
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		6 VAL A 500
GLY A 501
GLY A 503
GLU A 524
ASP A 526
ASP A 551
 None
SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
SAH  A 705 (-2.7A)
None
SAH  A 705 (-3.4A)
 0.59A 3fuuA-5wcjA:
11.5		 3fuuA-5wcjA:
24.36
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 VAL A 289
GLY A 290
GLY A 292
ASP A 338
ILE A 361
 None
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-3.3A)
None
 0.69A 3fuuA-5wp4A:
10.4		 3fuuA-5wp4A:
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 VAL A 289
GLY A 290
GLY A 292
ASP A 338
ILE A 361
 None
SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.4A)
None
 0.74A 3fuuA-5wp5A:
11.3		 3fuuA-5wp5A:
18.81
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 VAL C 209
GLY C 210
GLU C 230
ASP C 471
ALA C 472
 None
 0.53A 3fuuA-5x6xC:
7.6		 3fuuA-5x6xC:
13.36
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.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 6 VAL A  80
GLY A  79
GLY A  76
GLU A  82
ALA A  84
ILE A 113
 None
 1.42A 3fuuA-5xvhA:
4.0		 3fuuA-5xvhA:
14.29
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 VAL A 237
GLY A 230
ALA A 184
PRO A 225
ILE A 220
 None
 0.93A 3fuuA-6b5fA:
undetectable		 3fuuA-6b5fA:
24.80
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 106
GLY A 108
ASP A 131
ASP A 160
ALA A 161
 TER  A 402 ( 4.1A)
CL  A 401 (-4.6A)
None
None
None
 0.83A 3fuuA-6bq6A:
10.4		 3fuuA-6bq6A:
14.13