SIMILAR PATTERNS OF AMINO ACIDS FOR 1QAO_A_SAMA245

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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  20
ILE A  43
ASP A  68
ILE A  69
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
 0.66A 1qaoA-1ahiA:
6.1		 1qaoA-1ahiA:
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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		5 GLY A   9
ASP A  31
ASP A  50
ILE A  51
PRO A  70
 None
 0.74A 1qaoA-1dctA:
8.7		 1qaoA-1dctA:
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 GLY A  63
GLY A  65
ILE A  85
ASP A 113
ASN A 129
PRO A 131
 None
 0.61A 1qaoA-1dusA:
12.5		 1qaoA-1dusA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		6 GLU A  45
ILE A  72
ASP A  73
ASP A  89
ASN A 105
PRO A 107
 None
NEA  A 500 (-3.8A)
None
NEA  A 500 (-3.4A)
NEA  A 500 (-4.5A)
NEA  A 500 (-3.8A)
 0.82A 1qaoA-1g38A:
11.7		 1qaoA-1g38A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  86
ILE A 108
ASP A 109
ASP A 138
 None
 0.83A 1qaoA-1iy9A:
8.1		 1qaoA-1iy9A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 GLU A  97
GLY A  99
GLY A 101
LEU A 126
ASP A 148
 None
ADN  A 500 (-3.2A)
ADN  A 500 (-3.4A)
ADN  A 500 (-4.2A)
ADN  A 500 (-3.7A)
 0.47A 1qaoA-1jg3A:
8.9		 1qaoA-1jg3A:
23.25
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  82
GLY A  84
ILE A 105
ASP A 106
ASP A 141
 None
 0.57A 1qaoA-1mjfA:
7.0		 1qaoA-1mjfA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		6 GLY A  56
GLY A  58
ILE A  79
ASP A  80
ASP A 100
ASN A 114
 None
 0.43A 1qaoA-1ne2A:
14.2		 1qaoA-1ne2A:
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		6 PHE A 495
GLU A 764
ILE A 758
LEU A 737
PRO A 617
ILE A 616
 None
 1.38A 1qaoA-1ofeA:
undetectable		 1qaoA-1ofeA:
8.91
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) 		9 PHE A  19
GLU A  43
GLY A  45
GLY A  47
ASP A  68
ASP A  91
ASN A 113
PRO A 115
ILE A 118
 None
 0.74A 1qaoA-1qyrA:
23.7		 1qaoA-1qyrA:
30.27
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) 		9 PHE A  19
GLU A  43
GLY A  45
GLY A  47
ASP A  68
LEU A  71
ASN A 113
PRO A 115
ILE A 118
 None
 0.72A 1qaoA-1qyrA:
23.7		 1qaoA-1qyrA:
30.27
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) 		8 PHE A  19
GLU A  43
GLY A  45
GLY A  47
ASP A  68
LEU A  71
ILE A  65
ASN A 113
 None
 0.99A 1qaoA-1qyrA:
23.7		 1qaoA-1qyrA:
30.27
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A   7
GLY A   9
ILE A  37
ASP A  38
ILE A 119
 None
 0.78A 1qaoA-1up4A:
2.5		 1qaoA-1up4A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 GLU A  76
GLY A  78
GLY A  80
ILE A 100
ASP A 124
 None
 0.52A 1qaoA-1vbfA:
8.2		 1qaoA-1vbfA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 GLY A  57
GLY A  59
ASP A  81
ASP A 105
ASN A 119
PRO A 121
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
None
SAH  A1001 (-3.2A)
SAH  A1001 (-4.6A)
None
 0.59A 1qaoA-1wy7A:
15.2		 1qaoA-1wy7A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLY A 130
ILE A 152
ASP A 153
ASP A 182
 None
 0.45A 1qaoA-1xj5A:
9.8		 1qaoA-1xj5A:
21.93
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		6 GLU A  96
GLY A  98
GLY A 100
ASP A 124
ASP A 150
ILE A 151
 None
 0.90A 1qaoA-1yb2A:
11.9		 1qaoA-1yb2A:
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.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		5 GLU A  86
GLY A  88
GLY A  90
ILE A 119
LEU A 123
 None
 0.64A 1qaoA-1zkdA:
9.1		 1qaoA-1zkdA:
17.79
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.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		9 GLU A  62
GLY A  64
GLY A  66
ASP A  87
LEU A  90
ASP A 113
ASN A 128
PRO A 130
ILE A 133
 None
SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
None
SAM  A4000 (-4.8A)
SAM  A4000 (-3.8A)
SAM  A4000 (-2.7A)
SAM  A4000 (-4.1A)
SAM  A4000 ( 4.5A)
 0.95A 1qaoA-1zq9A:
23.3		 1qaoA-1zq9A:
26.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		5 GLU A 109
GLY A 111
GLY A 113
ASP A 173
ILE A 174
 None
SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-3.4A)
SAM  A 601 (-4.2A)
 0.66A 1qaoA-2b25A:
12.6		 1qaoA-2b25A:
20.39
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A 117
GLY A 119
ASP A 167
ASN A 183
PRO A 185
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.0A)
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
 0.46A 1qaoA-2b3tA:
11.6		 1qaoA-2b3tA:
18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2erc RRNA METHYL
TRANSFERASE

(Bacillus
subtilis) 		PF00398
(RrnaAD) 		5 GLU A  36
GLY A  38
GLY A  40
ASP A  84
ILE A  85
 None
 0.67A 1qaoA-2ercA:
31.0		 1qaoA-2ercA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2erc RRNA METHYL
TRANSFERASE

(Bacillus
subtilis) 		PF00398
(RrnaAD) 		5 GLU A  36
ILE A  60
LEU A  64
ASP A  84
ILE A  85
 None
 0.82A 1qaoA-2ercA:
31.0		 1qaoA-2ercA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2erc RRNA METHYL
TRANSFERASE

(Bacillus
subtilis) 		PF00398
(RrnaAD) 		5 ILE A  60
ASP A  61
LEU A  64
ASP A  84
ILE A  85
 None
 0.79A 1qaoA-2ercA:
31.0		 1qaoA-2ercA:
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 GLY A 128
ASP A 156
LEU A 159
ASP A 180
PRO A 198
 SAM  A 400 (-3.3A)
None
SAM  A 400 (-4.3A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.8A)
 0.70A 1qaoA-2f8lA:
12.4		 1qaoA-2f8lA:
22.54
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  73
GLY A  75
ASP A  98
ASN A 147
PRO A 149
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
None
SAH  A 300 (-3.9A)
SAH  A 300 (-4.0A)
 0.64A 1qaoA-2h00A:
11.8		 1qaoA-2h00A:
22.22
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.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00398
(RrnaAD) 		5 GLU A  27
GLY A  29
GLY A  31
ILE A  51
ILE A  97
 None
 0.78A 1qaoA-2h1rA:
21.0		 1qaoA-2h1rA:
28.05
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 GLY A  20
ASP A  42
ASP A  60
ILE A  61
PRO A  80
 SAH  A 328 (-3.3A)
None
SAH  A 328 (-3.6A)
SAH  A 328 (-4.3A)
SAH  A 328 (-4.0A)
 0.45A 1qaoA-2i9kA:
7.7		 1qaoA-2i9kA:
23.43
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
ILE A 148
ASP A 149
ASP A 178
 S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-3.9A)
None
S4M  A 501 (-3.3A)
 0.66A 1qaoA-2pt6A:
9.0		 1qaoA-2pt6A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ILE A 111
ASP A 112
ASP A 135
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-3.7A)
None
SAM  A 400 (-3.4A)
 0.38A 1qaoA-2qe6A:
8.2		 1qaoA-2qe6A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 GLU A  84
GLY A  86
GLY A  88
ASP A 176
ILE A 177
 None
 0.61A 1qaoA-2qy6A:
7.1		 1qaoA-2qy6A:
19.19
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.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		5 GLU A  83
GLY A  85
GLY A  87
LEU A 114
ASP A 136
 None
 0.72A 1qaoA-2yxeA:
9.3		 1qaoA-2yxeA:
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  86
ILE A 108
ASP A 109
ASP A 144
 None
 0.58A 1qaoA-2zsuA:
9.3		 1qaoA-2zsuA:
20.52
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		6 GLY A 241
GLY A 243
ASP A 264
ASP A 288
ASN A 305
PRO A 307
 SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
None
SAH  A 376 (-4.1A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
 0.68A 1qaoA-2zwvA:
11.5		 1qaoA-2zwvA:
18.57
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  87
ILE A 109
ASP A 110
ASP A 140
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
 0.70A 1qaoA-3anxA:
8.1		 1qaoA-3anxA:
18.87
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 200
ILE A 221
ASP A 222
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
 0.58A 1qaoA-3c6mA:
10.9		 1qaoA-3c6mA:
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 GLY A  53
GLY A  55
ASP A  76
LEU A  79
ASP A  96
 NHE  A 195 (-3.2A)
None
None
None
NHE  A 195 (-4.3A)
 0.74A 1qaoA-3cggA:
10.5		 1qaoA-3cggA:
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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		5 GLY A 128
GLY A 130
ILE A 150
ASP A 151
ASN A 191
 SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 (-4.0A)
None
SAH  A 258 ( 3.8A)
 0.47A 1qaoA-3cjtA:
11.2		 1qaoA-3cjtA:
17.27
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.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 GLY A 700
ILE A 720
ASP A 721
ASP A 747
PRO A 765
 ADP  A   3 (-3.5A)
ADP  A   3 (-3.8A)
None
ADP  A   3 (-3.4A)
ADP  A   3 (-3.3A)
 0.48A 1qaoA-3egiA:
11.4		 1qaoA-3egiA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		5 GLU A  86
GLY A  88
GLY A  90
ASP A 113
PRO A 157
 None
 0.74A 1qaoA-3evzA:
12.1		 1qaoA-3evzA:
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		7 PHE A  29
GLU A  52
GLY A  54
GLY A  56
ASP A  77
LEU A  80
ASP A  99
 None
 0.74A 1qaoA-3futA:
21.3		 1qaoA-3futA:
23.93
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		7 PHE A  29
GLU A  52
GLY A  54
GLY A  56
ASP A  77
LEU A  80
PRO A 119
 None
 0.76A 1qaoA-3futA:
21.3		 1qaoA-3futA:
23.93
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		6 PHE A  29
GLU A  52
GLY A  56
LEU A  80
ASN A 117
PRO A 119
 None
 1.28A 1qaoA-3futA:
21.3		 1qaoA-3futA:
23.93
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		6 PHE A  29
GLU A  52
GLY A  56
LEU A  80
ILE A  74
ASN A 117
 None
 1.29A 1qaoA-3futA:
21.3		 1qaoA-3futA:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		11 PHE A  12
GLU A  36
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
ASP A  84
ASN A 101
PRO A 103
ILE A 106
 None
 1.03A 1qaoA-3fydA:
23.2		 1qaoA-3fydA:
31.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		10 PHE A  12
GLU A  36
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
ILE A  58
ASN A 101
PRO A 103
 None
 1.09A 1qaoA-3fydA:
23.2		 1qaoA-3fydA:
31.11
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.
3gdh TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		5 GLY A 700
ILE A 720
ASP A 721
ASP A 747
PRO A 765
 SAH  A 854 (-3.3A)
SAH  A 854 (-3.6A)
None
SAH  A 854 (-3.6A)
SAH  A 854 (-3.8A)
 0.63A 1qaoA-3gdhA:
11.5		 1qaoA-3gdhA:
22.39
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A   9
GLY A  11
ILE A  34
ASP A  35
ASP A  55
 THJ  A 249 (-3.4A)
None
THJ  A 249 (-4.5A)
None
None
 0.65A 1qaoA-3gedA:
5.6		 1qaoA-3gedA:
19.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		11 PHE A  12
GLU A  36
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
ASP A  84
ASN A 101
PRO A 103
ILE A 106
 None
SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
 0.92A 1qaoA-3gryA:
23.2		 1qaoA-3gryA:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		10 PHE A  12
GLU A  36
GLY A  38
GLY A  40
ILE A  60
ASP A  61
LEU A  64
ILE A  58
ASN A 101
PRO A 103
 None
SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
None
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 1.12A 1qaoA-3gryA:
23.2		 1qaoA-3gryA:
30.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 GLY A  36
GLY A  38
ILE A  61
ASP A  62
ASP A  83
ILE A 133
 None
 0.88A 1qaoA-3gvcA:
5.3		 1qaoA-3gvcA:
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.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		5 GLU A  45
GLY A  47
GLY A  49
ASP A  90
ILE A  91
 SAM  A 200 ( 4.8A)
SAM  A 200 (-3.3A)
SAM  A 200 (-3.2A)
SAM  A 200 (-3.2A)
SAM  A 200 (-3.9A)
 0.82A 1qaoA-3ihtA:
8.0		 1qaoA-3ihtA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
LEU A 109
ASP A 131
 SAH  A 300 ( 4.7A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.4A)
SAH  A 300 (-4.8A)
SAH  A 300 (-3.7A)
 0.58A 1qaoA-3lbfA:
8.9		 1qaoA-3lbfA:
20.45
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 GLY A 202
ILE A 262
ASP A 263
ASP A 289
ASN A 305
PRO A 307
 GTP  A 383 (-2.6A)
GTP  A 383 (-4.2A)
None
GTP  A 383 ( 3.8A)
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
 0.89A 1qaoA-3lduA:
10.2		 1qaoA-3lduA:
21.85
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLU A  99
GLY A 101
GLY A 103
ILE A 126
ASP A 153
 SAH  A 301 ( 4.7A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.1A)
 0.66A 1qaoA-3lgaA:
13.8		 1qaoA-3lgaA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
ILE A 126
ASP A 153
ILE A 154
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.3A)
 0.66A 1qaoA-3lgaA:
13.8		 1qaoA-3lgaA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLU A  64
GLY A  66
GLY A  68
ASP A 156
ILE A 157
 SAM  A 670 (-4.0A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.2A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.8A)
 0.57A 1qaoA-3ps9A:
undetectable		 1qaoA-3ps9A:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		5 GLY A  39
GLY A  42
ILE A  65
ASP A  94
ILE A  95
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.1A)
NAD  A 501 (-4.2A)
NAD  A 501 (-3.3A)
NAD  A 501 (-3.9A)
 0.65A 1qaoA-3pvzA:
5.9		 1qaoA-3pvzA:
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.
3r9x RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Aquifex
aeolicus) 		PF00398
(RrnaAD) 		5 GLU B  36
ASP B  62
ASP B  83
ASN B 101
PRO B 103
 None
 0.76A 1qaoA-3r9xB:
21.5		 1qaoA-3r9xB:
28.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 101
GLY A 103
ILE A 125
ASP A 126
ASP A 155
 DSH  A 303 (-3.4A)
DSH  A 303 (-3.5A)
DSH  A 303 (-3.8A)
None
DSH  A 303 (-3.5A)
 0.61A 1qaoA-3rw9A:
9.3		 1qaoA-3rw9A:
18.79
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 GLY A 331
ILE A 356
ASP A 388
ASN A 406
PRO A 408
 SAH  A 900 (-3.2A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.1A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
 0.68A 1qaoA-3s1sA:
10.4		 1qaoA-3s1sA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 GLU A 202
GLY A 204
GLY A 206
ILE A 235
ASP A 252
 SAH  A 601 (-3.4A)
SAH  A 601 (-3.5A)
SAH  A 601 (-3.2A)
SAH  A 601 (-3.8A)
SAH  A 601 (-3.6A)
 0.82A 1qaoA-3ssmA:
9.2		 1qaoA-3ssmA:
18.39
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 194
ASP A 218
ASP A 243
ASN A 260
PRO A 262
 None
 0.81A 1qaoA-3tmaA:
13.1		 1qaoA-3tmaA:
16.94
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.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		10 PHE A  14
GLU A  38
GLY A  40
GLY A  42
ASP A  63
LEU A  66
ASP A  86
ASN A 106
PRO A 108
ILE A 111
 None
 0.92A 1qaoA-3tqsA:
23.5		 1qaoA-3tqsA:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		10 PHE A  14
GLU A  38
GLY A  40
ILE A  62
ASP A  63
LEU A  66
ASP A  86
ASN A 106
PRO A 108
ILE A 111
 None
 0.90A 1qaoA-3tqsA:
23.5		 1qaoA-3tqsA:
27.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		6 PHE A  20
ASP A  73
LEU A  76
ILE A  45
PRO A 119
ILE A 122
 None
 1.20A 1qaoA-3uzuA:
22.5		 1qaoA-3uzuA:
24.22
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		9 PHE A  20
GLU A  44
GLY A  46
GLY A  48
ASP A  73
LEU A  76
ASP A  94
ASN A 117
PRO A 119
 None
 0.76A 1qaoA-3uzuA:
22.5		 1qaoA-3uzuA:
24.22
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		9 PHE A  20
GLU A  44
GLY A  46
GLY A  48
ASP A  73
LEU A  76
ASP A  94
PRO A 119
ILE A 122
 None
 0.74A 1qaoA-3uzuA:
22.5		 1qaoA-3uzuA:
24.22
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 GLY A 199
ASP A 264
ASP A 290
ASN A 309
PRO A 311
 SAM  A 801 (-3.2A)
None
SAM  A 801 (-3.0A)
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
 0.64A 1qaoA-3v8vA:
13.3		 1qaoA-3v8vA:
16.47
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.
4e6p PROBABLE SORBITOL
DEHYDROGENASE
(L-IDITOL
2-DEHYDROGENASE)

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  13
ILE A  38
ASP A  39
ASP A  60
ILE A 110
 None
 0.62A 1qaoA-4e6pA:
5.5		 1qaoA-4e6pA:
18.95
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.
4fzi PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
cruzi) 		PF00248
(Aldo_ket_red) 		6 GLU A  65
GLY A  62
GLY A  58
ILE A  47
ILE A  40
ASN A  34
 None
 1.34A 1qaoA-4fziA:
undetectable		 1qaoA-4fziA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		8 PHE A  37
GLU A  61
GLY A  63
GLY A  65
ASP A  87
ASP A 111
ASN A 141
PRO A 143
 None
None
ACT  A 402 (-3.4A)
None
None
None
None
ACT  A 402 ( 4.9A)
 0.69A 1qaoA-4gc5A:
22.3		 1qaoA-4gc5A:
25.98
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		6 GLY A  14
GLY A  16
ASP A  40
LEU A  43
ASP A  64
ILE A  94
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
None
None
NAI  A 301 (-3.6A)
None
 0.91A 1qaoA-4ituA:
5.5		 1qaoA-4ituA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ILE A  84
ASP A 108
ILE A 109
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
 0.53A 1qaoA-4iv8A:
11.6		 1qaoA-4iv8A:
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		7 GLU A  48
GLY A  50
GLY A  52
ASP A  74
ASN A 116
PRO A 118
ILE A 121
 None
 0.79A 1qaoA-4jxjA:
22.5		 1qaoA-4jxjA:
28.07
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		7 GLU A  48
GLY A  50
GLY A  52
ASP A  74
ILE A  71
ASN A 116
PRO A 118
 None
 1.15A 1qaoA-4jxjA:
22.5		 1qaoA-4jxjA:
28.07
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		7 PHE A  24
GLU A  48
GLY A  50
GLY A  52
ASN A 116
PRO A 118
ILE A 121
 None
 0.76A 1qaoA-4jxjA:
22.5		 1qaoA-4jxjA:
28.07
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		7 PHE A  24
GLU A  48
GLY A  50
GLY A  52
ILE A  71
ASN A 116
PRO A 118
 None
 1.24A 1qaoA-4jxjA:
22.5		 1qaoA-4jxjA:
28.07
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.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
LEU A 109
ASP A 131
 SAH  A 301 ( 4.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.0A)
 0.49A 1qaoA-4l7vA:
9.5		 1qaoA-4l7vA:
19.38
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  62
ILE A  83
ASP A 107
ILE A 108
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
 0.47A 1qaoA-4mwzA:
11.8		 1qaoA-4mwzA:
24.57
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		6 GLU A  78
GLY A  80
GLY A  82
ILE A 105
LEU A 109
ASP A 132
 SAH  A 500 (-4.3A)
SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.7A)
SAH  A 500 (-3.8A)
SAH  A 500 (-4.0A)
 0.58A 1qaoA-4o29A:
8.5		 1qaoA-4o29A:
19.54
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		6 PHE A  82
GLY A 149
GLY A 153
LEU A 156
ILE A 174
ILE A 238
 None
 1.41A 1qaoA-4p9nA:
2.5		 1qaoA-4p9nA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLY A  63
GLY A  65
ILE A  86
ASP A 110
ILE A 111
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-4.1A)
 0.42A 1qaoA-4r6wA:
11.4		 1qaoA-4r6wA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
ILE A 148
ASP A 149
ASP A 178
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
 0.62A 1qaoA-4uoeA:
9.2		 1qaoA-4uoeA:
21.85
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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  14
ILE A  37
ASP A  62
ILE A 113
 None
 0.70A 1qaoA-4ureA:
6.0		 1qaoA-4ureA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLU A  84
GLY A  86
GLY A  88
ASP A 115
ASP A 141
 SAH  A 801 ( 4.6A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.7A)
 0.64A 1qaoA-4uy6A:
9.1		 1qaoA-4uy6A:
20.47
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  16
ILE A  41
ASP A  42
ASP A  61
ILE A 113
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
NAD  A 301 ( 4.6A)
 0.57A 1qaoA-4wecA:
5.3		 1qaoA-4wecA:
20.47
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 GLY A 906
ILE A 945
ASP A 981
ASN A1018
PRO A1020
 None
 0.61A 1qaoA-4xqkA:
10.5		 1qaoA-4xqkA:
10.66
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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  95
GLY A  97
ILE A 119
ASP A 120
ASP A 149
 S4M  A 301 (-3.5A)
S4M  A 301 ( 4.5A)
S4M  A 301 (-3.9A)
None
S4M  A 301 (-3.9A)
 0.71A 1qaoA-4yv2A:
9.2		 1qaoA-4yv2A:
21.02
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		6 GLY A  31
GLY A  33
ILE A  54
ASP A  55
LEU A  58
ASP A  81
 SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.9A)
None
SAH  A 201 (-4.4A)
SAH  A 201 (-3.6A)
 0.61A 1qaoA-5bxyA:
12.2		 1qaoA-5bxyA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
GLY A  23
ILE A  46
ASP A  47
ASP A  71
 None
 0.75A 1qaoA-5ha5A:
undetectable		 1qaoA-5ha5A:
18.68
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.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 GLY A  14
ILE A  39
ASP A  40
ASP A  62
ILE A  63
 None
 0.64A 1qaoA-5itwA:
6.0		 1qaoA-5itwA:
21.66
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLU A1990
GLY A1992
GLY A1994
LEU A2024
ILE A2045
 None
SAH  A2201 (-3.2A)
SAH  A2201 (-3.0A)
None
SAH  A2201 (-3.8A)
 0.73A 1qaoA-5mptA:
9.8		 1qaoA-5mptA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thz CURJ

(Moorea
producens) 		no annotation 6 GLU B 203
GLY B 205
GLY B 207
ILE B 231
ASP B 255
ILE B 256
 None
SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
SAH  B 501 (-3.7A)
SAH  B 501 (-3.9A)
SAH  B 501 (-4.3A)
 0.65A 1qaoA-5thzB:
9.6		 1qaoA-5thzB:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thz CURJ

(Moorea
producens) 		no annotation 6 GLY B 205
GLY B 207
ILE B 231
ASP B 255
ILE B 256
ASN B 277
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
SAH  B 501 (-3.7A)
SAH  B 501 (-3.9A)
SAH  B 501 (-4.3A)
GOL  B 502 (-4.3A)
 0.91A 1qaoA-5thzB:
9.6		 1qaoA-5thzB:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 6 GLY A 131
GLY A 133
ASP A 179
ASN A 194
PRO A 196
ILE A 214
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 (-2.9A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
IOD  A 409 (-4.2A)
 0.75A 1qaoA-5u4tA:
10.2		 1qaoA-5u4tA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 501
GLY A 503
ILE A 525
ASP A 526
ASP A 551
 SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
SAH  A 705 (-3.6A)
None
SAH  A 705 (-3.4A)
 0.59A 1qaoA-5wcjA:
10.0		 1qaoA-5wcjA:
22.22
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 5 GLY A  13
GLY A  15
ILE A  38
ASP A  63
ILE A 114
 None
 0.70A 1qaoA-5x8hA:
5.8		 1qaoA-5x8hA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnc -

(-) 		no annotation 5 GLY A 157
ILE A 180
ASP A 181
LEU A 184
ASP A 206
 MTA  A 401 ( 3.7A)
MTA  A 401 (-3.6A)
None
MTA  A 401 (-4.6A)
MTA  A 401 (-3.6A)
 0.44A 1qaoA-5xncA:
11.6		 1qaoA-5xncA:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 7 GLU A 835
GLY A 837
GLY A 839
ILE A 865
ASP A 889
ILE A 890
ASN A 910
 None
SAH  A1102 (-3.5A)
SAH  A1102 (-3.4A)
SAH  A1102 (-3.6A)
SAH  A1102 (-3.5A)
SAH  A1102 (-4.4A)
SAH  A1102 (-4.0A)
 0.94A 1qaoA-6d6yA:
10.3		 1qaoA-6d6yA:
undetectable