SIMILAR PATTERNS OF AMINO ACIDS FOR 3GRV_A_ADNA300

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.
1b8u PROTEIN (MALATE
DEHYDROGENASE)

(Aquaspirillum
arcticum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  12
GLY A  15
GLU A  43
ILE A  44
ILE A 111
 NAD  A 334 (-3.2A)
NAD  A 334 (-3.3A)
NAD  A 334 (-2.9A)
NAD  A 334 (-4.0A)
NAD  A 334 ( 4.0A)
 0.63A 3grvA-1b8uA:
4.7		 3grvA-1b8uA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdm MALATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  10
GLY A  13
GLU A  41
ILE A  42
ILE A 107
 NAX  A 334 (-3.3A)
NAX  A 334 (-3.4A)
NAX  A 334 (-2.9A)
NAX  A 334 (-4.2A)
NAX  A 334 ( 4.0A)
 0.66A 3grvA-1bdmA:
5.6		 3grvA-1bdmA:
22.32
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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		5 GLU A  71
ILE A  72
ASP A  73
ASP A  89
PRO A 107
 NEA  A 500 (-2.8A)
NEA  A 500 (-3.8A)
None
NEA  A 500 (-3.4A)
NEA  A 500 (-3.8A)
 0.48A 3grvA-1g38A:
7.6		 3grvA-1g38A:
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 GLY A  99
GLY A 101
GLU A 121
LEU A 126
ASP A 148
 ADN  A 500 (-3.2A)
ADN  A 500 (-3.4A)
ADN  A 500 (-2.9A)
ADN  A 500 (-4.2A)
ADN  A 500 (-3.7A)
 0.75A 3grvA-1jg3A:
10.7		 3grvA-1jg3A:
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.
1lss TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02254
(TrkA_N) 		5 GLY A   7
GLY A   9
ILE A  31
ASP A  32
ASP A  51
 NAD  A1001 (-3.1A)
NAD  A1001 (-3.5A)
NAD  A1001 (-4.1A)
None
NAD  A1001 (-3.3A)
 0.67A 3grvA-1lssA:
8.0		 3grvA-1lssA:
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  82
GLU A 104
ILE A 105
ASP A 106
ASP A 141
 None
 0.31A 3grvA-1mjfA:
12.0		 3grvA-1mjfA:
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.
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
 0.86A 3grvA-1ne2A:
15.3		 3grvA-1ne2A:
25.36
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 GLY A  45
GLY A  47
GLU A  66
ASP A  68
ASP A  91
ALA A  92
ASN A 113
PRO A 115
ILE A 118
 None
 0.81A 3grvA-1qyrA:
27.7		 3grvA-1qyrA:
32.01
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 GLY A  45
GLY A  47
GLU A  66
ASP A  68
LEU A  71
ALA A  92
ASN A 113
PRO A 115
ILE A 118
 None
 0.77A 3grvA-1qyrA:
27.7		 3grvA-1qyrA:
32.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 264
GLY A 266
GLU A 287
ILE A 288
ASP A 289
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.5A)
NAD  A 501 (-2.9A)
NAD  A 501 (-4.1A)
NAD  A 501 (-4.9A)
 0.65A 3grvA-1v8bA:
4.4		 3grvA-1v8bA:
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		6 GLY A  78
GLY A  80
GLU A  99
ILE A 100
ASP A 124
ILE A 196
 None
 1.00A 3grvA-1vbfA:
11.4		 3grvA-1vbfA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  57
GLU A  79
ASP A  81
ASP A 105
ASN A 119
 SAH  A1001 (-3.4A)
SAH  A1001 (-2.8A)
None
SAH  A1001 (-3.2A)
SAH  A1001 (-4.6A)
 0.58A 3grvA-1wy7A:
16.9		 3grvA-1wy7A:
24.34
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.
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
 1.07A 3grvA-1wy7A:
16.9		 3grvA-1wy7A:
24.34
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.
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)
 0.53A 3grvA-1x87A:
7.1		 3grvA-1x87A:
19.10
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLU A 151
ILE A 152
ASP A 153
ASP A 182
 None
 0.39A 3grvA-1xj5A:
12.9		 3grvA-1xj5A:
24.27
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.
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
 0.71A 3grvA-1xj5A:
12.9		 3grvA-1xj5A:
24.27
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		5 GLY A  98
GLY A 100
GLU A 122
ASP A 124
ASP A 150
 None
 0.35A 3grvA-1yb2A:
13.7		 3grvA-1yb2A:
26.91
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) 		9 GLY A  64
GLY A  66
GLU A  85
ASP A  87
LEU A  90
ASP A 113
ASN A 128
PRO A 130
ILE A 133
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-2.8A)
None
SAM  A4000 (-4.8A)
SAM  A4000 (-3.8A)
SAM  A4000 (-2.7A)
SAM  A4000 (-4.1A)
SAM  A4000 ( 4.5A)
 0.85A 3grvA-1zq9A:
28.1		 3grvA-1zq9A:
35.74
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) 		6 GLY A  38
GLY A  40
GLU A  59
ILE A  60
LEU A  64
ASP A  84
 None
 1.20A 3grvA-2ercA:
20.9		 3grvA-2ercA:
30.77
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) 		6 GLY A  38
GLY A  40
GLU A  59
LEU A  64
ASN A 101
ILE A 110
 None
 1.13A 3grvA-2ercA:
20.9		 3grvA-2ercA:
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.
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)
 0.37A 3grvA-2fknA:
7.9		 3grvA-2fknA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.49A 3grvA-2gpyA:
13.8		 3grvA-2gpyA:
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		6 GLY A  73
GLY A  75
GLU A  96
ASP A  98
ASN A 147
PRO A 149
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
SAH  A 300 (-2.8A)
None
SAH  A 300 (-3.9A)
SAH  A 300 (-4.0A)
 0.78A 3grvA-2h00A:
12.5		 3grvA-2h00A:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00398
(RrnaAD) 		5 GLY A  29
GLY A  31
ILE A  51
ASP A  52
ALA A  78
 None
 0.69A 3grvA-2h1rA:
26.1		 3grvA-2h1rA:
38.87
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 124
GLU A 147
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 S4M  A 501 (-3.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.9A)
None
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
 0.37A 3grvA-2pt6A:
12.2		 3grvA-2pt6A:
25.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 124
GLY A 126
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-3.9A)
None
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
 0.90A 3grvA-2pt6A:
12.2		 3grvA-2pt6A:
25.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.71A 3grvA-2qe6A:
9.3		 3grvA-2qe6A:
22.19
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		6 GLY A 558
GLY A 555
GLU A 559
ILE A 601
ASP A 602
ILE A 636
 None
 1.46A 3grvA-2yn9A:
2.4		 3grvA-2yn9A:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		6 GLY A 558
GLY A 556
GLU A 559
ILE A 601
ASP A 602
ILE A 636
 None
 1.39A 3grvA-2yn9A:
2.4		 3grvA-2yn9A:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		5 GLY A  85
GLY A  87
GLU A 109
LEU A 114
ASP A 136
 None
 0.75A 3grvA-2yxeA:
11.6		 3grvA-2yxeA:
21.97
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLU A 107
ILE A 108
ASP A 109
ASP A 144
 None
 0.32A 3grvA-2zsuA:
9.7		 3grvA-2zsuA:
22.68
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		6 GLY A 241
GLY A 243
GLU A 262
ASP A 264
ASN A 305
PRO A 307
 SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 (-2.7A)
None
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
 0.80A 3grvA-2zwvA:
11.2		 3grvA-2zwvA:
22.66
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  85
GLY A  87
ILE A 109
ASP A 110
ASP A 140
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 0.86A 3grvA-3anxA:
10.8		 3grvA-3anxA:
24.11
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  85
ILE A 109
ASP A 110
LEU A 113
ASP A 140
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 0.91A 3grvA-3anxA:
10.8		 3grvA-3anxA:
24.11
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
ILE A  92
ASP A 119
ALA A 120
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.0A)
SAH  A 274 (-3.6A)
SAH  A 274 (-3.5A)
 0.69A 3grvA-3busA:
4.4		 3grvA-3busA:
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLU A 220
ILE A 221
ASP A 222
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.6A)
 0.34A 3grvA-3c6mA:
13.9		 3grvA-3c6mA:
26.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		6 GLY A  42
GLY A  44
GLU A  66
ILE A  67
ASP A  86
ALA A  87
 None
None
None
SO4  A 201 ( 4.9A)
SO4  A 201 (-4.4A)
None
 0.51A 3grvA-3c85A:
6.9		 3grvA-3c85A:
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 282
GLY A 284
GLU A 305
ILE A 306
ASP A 307
ILE A 343
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
NAD  A 550 (-4.0A)
None
NAD  A 550 (-4.7A)
 1.15A 3grvA-3ce6A:
undetectable		 3grvA-3ce6A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cer POSSIBLE
EXOPOLYPHOSPHATASE-L
IKE PROTEIN

(Bifidobacterium
longum) 		PF02541
(Ppx-GppA) 		6 GLY A  20
ILE A  28
ASP A  22
LEU A 329
ALA A  75
ILE A 111
 None
None
SO4  A 346 (-3.0A)
None
None
None
 1.44A 3grvA-3cerA:
undetectable		 3grvA-3cerA:
24.25
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.
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)
 0.71A 3grvA-3cjtA:
13.7		 3grvA-3cjtA:
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 GLY A 290
GLY A 292
ILE A 312
ASP A 330
ALA A 331
 None
 0.74A 3grvA-3dliA:
12.0		 3grvA-3dliA:
24.03
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		7 GLY A  54
GLY A  56
GLU A  75
ASP A  77
LEU A  80
ASP A  99
ALA A 100
 None
 0.52A 3grvA-3futA:
24.5		 3grvA-3futA:
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		6 GLY A  54
GLY A  56
GLU A  75
LEU A  84
ASP A  99
ALA A 100
 None
 1.39A 3grvA-3futA:
24.5		 3grvA-3futA:
29.90
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 GLY A  38
GLY A  40
GLU A  59
ILE A  60
ASP A  61
LEU A  64
ASP A  84
ALA A  85
ASN A 101
PRO A 103
ILE A 106
 None
 0.33A 3grvA-3fydA:
41.7		 3grvA-3fydA:
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 GLU A  29
ILE A  30
ASP A  31
ASP A  51
PRO A  78
 None
 0.74A 3grvA-3g7uA:
10.0		 3grvA-3g7uA:
23.10
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 6 GLY A  94
GLU A 117
ASP A 119
LEU A 122
ASP A 144
ALA A 145
 None
FMT  A 315 (-3.6A)
None
FMT  A 315 (-4.0A)
None
None
 0.84A 3grvA-3gjyA:
3.1		 3grvA-3gjyA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 6 GLY A  94
GLY A  96
GLU A 117
LEU A 122
ASP A 144
ALA A 145
 None
FMT  A 315 ( 4.2A)
FMT  A 315 (-3.6A)
FMT  A 315 (-4.0A)
None
None
 1.00A 3grvA-3gjyA:
3.1		 3grvA-3gjyA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 263
GLY A 265
GLU A 286
ILE A 287
ASP A 288
 NAD  A 601 (-3.6A)
NAD  A 601 (-3.2A)
NAD  A 601 (-2.9A)
NAD  A 601 (-4.2A)
NAD  A 601 (-4.9A)
 0.57A 3grvA-3glqA:
4.1		 3grvA-3glqA:
22.82
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 GLY A  38
GLY A  40
GLU A  59
ILE A  60
ASP A  61
LEU A  64
ASP A  84
ALA A  85
ASN A 101
PRO A 103
ILE A 106
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-4.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
SAM  A 300 ( 4.4A)
 0.27A 3grvA-3gryA:
40.7		 3grvA-3gryA:
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.
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
 1.05A 3grvA-3gvcA:
6.2		 3grvA-3gvcA:
25.08
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 GLY A  38
ILE A  61
ASP A  62
ASP A  83
ASN A 110
ILE A 133
 None
 1.31A 3grvA-3gvcA:
6.2		 3grvA-3gvcA:
25.08
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.
3gvp ADENOSYLHOMOCYSTEINA
SE 3

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 399
GLY A 401
GLU A 422
ILE A 423
ASP A 424
 NAD  A 608 (-3.6A)
NAD  A 608 (-3.4A)
NAD  A 608 (-2.9A)
NAD  A 608 (-4.3A)
None
 0.55A 3grvA-3gvpA:
4.0		 3grvA-3gvpA:
21.08
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.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  85
GLU A 104
LEU A 109
ASP A 131
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.4A)
SAH  A 300 (-2.9A)
SAH  A 300 (-4.8A)
SAH  A 300 (-3.7A)
 0.76A 3grvA-3lbfA:
11.8		 3grvA-3lbfA:
21.18
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
GLU A 125
ILE A 126
ASP A 153
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.1A)
 0.66A 3grvA-3lgaA:
15.9		 3grvA-3lgaA:
23.20
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 269
GLY A 271
GLU A 292
ILE A 293
ASP A 294
ILE A 330
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.2A)
NAD  A 501 (-2.9A)
NAD  A 501 (-4.1A)
None
NAD  A 501 (-4.8A)
 1.19A 3grvA-3oneA:
3.6		 3grvA-3oneA:
21.08
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) 		6 GLU B  60
ASP B  62
ASP B  83
ALA B  84
ASN B 101
ILE B 110
 None
 1.37A 3grvA-3r9xB:
23.8		 3grvA-3r9xB:
33.77
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) 		6 GLU B  60
ASP B  62
ASP B  83
ALA B  84
ASN B 101
PRO B 103
 None
 0.99A 3grvA-3r9xB:
23.8		 3grvA-3r9xB:
33.77
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) 		6 GLY B  38
ASP B  62
ASP B  83
ALA B  84
ASN B 101
PRO B 103
 None
 1.24A 3grvA-3r9xB:
23.8		 3grvA-3r9xB:
33.77
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 101
GLU A 124
ILE A 125
ASP A 126
ASP A 155
 DSH  A 303 (-3.4A)
DSH  A 303 (-2.6A)
DSH  A 303 (-3.8A)
None
DSH  A 303 (-3.5A)
 0.44A 3grvA-3rw9A:
12.2		 3grvA-3rw9A:
21.47
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) 		10 GLY A  40
GLY A  42
GLU A  61
ILE A  62
ASP A  63
LEU A  66
ASP A  86
ALA A  87
ASN A 106
ILE A 111
 None
 0.98A 3grvA-3tqsA:
14.4		 3grvA-3tqsA:
31.89
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
LEU A  70
ASP A  86
ALA A  87
ASN A 106
 None
 1.43A 3grvA-3tqsA:
14.4		 3grvA-3tqsA:
31.89
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) 		7 GLY A  42
GLU A  61
ASP A  63
LEU A  66
ASN A 106
PRO A 108
ILE A 111
 None
 0.97A 3grvA-3tqsA:
14.4		 3grvA-3tqsA:
31.89
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  33
GLU A  58
ASP A  60
LEU A  63
ALA A  80
 None
 0.69A 3grvA-3u3xA:
4.5		 3grvA-3u3xA:
21.47
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		9 GLY A  46
GLY A  48
GLU A  71
ASP A  73
LEU A  76
ASP A  94
ALA A  95
ASN A 117
ILE A 122
 None
 0.64A 3grvA-3uzuA:
26.1		 3grvA-3uzuA:
29.41
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		7 GLY A  48
ASP A  73
LEU A  76
ASP A  94
ASN A 117
PRO A 119
ILE A 122
 None
 1.05A 3grvA-3uzuA:
26.1		 3grvA-3uzuA:
29.41
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
GLY A 106
GLU A 133
ASP A 174
ALA A 175
 SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
 0.53A 3grvA-3vywA:
10.1		 3grvA-3vywA:
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.
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
 0.56A 3grvA-4e6pA:
6.6		 3grvA-4e6pA:
21.92
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		7 GLY A  63
GLY A  65
GLU A  85
ASP A  87
ASP A 111
ASN A 141
PRO A 143
 ACT  A 402 (-3.4A)
None
ACT  A 402 (-2.9A)
None
None
None
ACT  A 402 ( 4.9A)
 1.11A 3grvA-4gc5A:
26.2		 3grvA-4gc5A:
28.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.73A 3grvA-4ineA:
9.1		 3grvA-4ineA:
25.48
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		7 GLY A 239
GLY A 241
GLU A 261
ASP A 263
ASP A 283
ALA A 284
ASN A 306
 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)
AGS  A 502 (-2.8A)
 1.23A 3grvA-4j9vA:
10.6		 3grvA-4j9vA:
21.54
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) 		7 GLY A  50
GLU A  72
ASP A  74
ALA A  98
ASN A 116
PRO A 118
ILE A 121
 None
 0.70A 3grvA-4jxjA:
27.6		 3grvA-4jxjA:
36.67
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) 		7 GLY A  50
GLY A  52
GLU A  72
ALA A  98
ASN A 116
PRO A 118
ILE A 121
 None
 0.71A 3grvA-4jxjA:
27.6		 3grvA-4jxjA:
36.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.73A 3grvA-4kriA:
13.5		 3grvA-4kriA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  85
GLU A 104
LEU A 109
ASP A 131
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.0A)
 0.73A 3grvA-4l7vA:
12.2		 3grvA-4l7vA:
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 GLY A 166
GLY A 168
ILE A 190
ASP A 217
ALA A 218
 SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-3.5A)
 0.63A 3grvA-4m73A:
11.4		 3grvA-4m73A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		6 GLY A  80
GLY A  82
GLU A 104
ILE A 105
LEU A 109
ASP A 132
 SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-2.8A)
SAH  A 500 (-3.7A)
SAH  A 500 (-3.8A)
SAH  A 500 (-4.0A)
 0.84A 3grvA-4o29A:
11.3		 3grvA-4o29A:
21.28
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.
4tvo MALATE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  13
GLY A  16
GLU A  44
ILE A  45
ILE A 110
 NA  A 412 ( 4.1A)
NA  A 412 (-3.7A)
NA  A 412 (-2.9A)
None
None
 0.66A 3grvA-4tvoA:
5.5		 3grvA-4tvoA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 124
GLU A 147
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.37A 3grvA-4uoeA:
11.8		 3grvA-4uoeA:
25.39
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 124
GLY A 126
ILE A 148
ASP A 149
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-3.8A)
None
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.87A 3grvA-4uoeA:
11.8		 3grvA-4uoeA:
25.39
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.
4uuo CYTOSOLIC MALATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  10
GLY A  13
GLU A  40
ILE A  41
ILE A 106
 None
 0.68A 3grvA-4uuoA:
4.1		 3grvA-4uuoA:
25.47
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.
4uup MALATE DEHYDROGENASE

(synthetic
construct) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  11
GLY A  14
GLU A  41
ILE A  42
ILE A 107
 NAI  A 345 (-2.9A)
NAI  A 345 (-3.3A)
NAI  A 345 (-2.3A)
NAI  A 345 (-4.2A)
NAI  A 345 (-3.5A)
 0.62A 3grvA-4uupA:
5.6		 3grvA-4uupA:
22.83
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.
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)
 0.61A 3grvA-4wecA:
6.1		 3grvA-4wecA:
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		6 GLY A  17
ILE A  41
ASP A  42
ASP A  61
ASN A  88
ILE A 113
 NAD  A 301 ( 4.8A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
NAD  A 301 (-3.3A)
NAD  A 301 ( 4.6A)
 1.31A 3grvA-4wecA:
6.1		 3grvA-4wecA:
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		6 GLY A 906
GLU A 944
ILE A 945
ASP A 981
ASN A1018
PRO A1020
 None
 0.90A 3grvA-4xqkA:
13.1		 3grvA-4xqkA:
11.71
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 GLY A  31
GLY A  33
GLU A  53
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 (-2.8A)
SAH  A 201 (-3.9A)
None
SAH  A 201 (-4.4A)
SAH  A 201 (-3.6A)
 0.87A 3grvA-5bxyA:
15.2		 3grvA-5bxyA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		6 GLY A1011
GLY A1007
ASP A 619
LEU A 618
ALA A1017
ILE A 894
 None
 1.24A 3grvA-5d0fA:
undetectable		 3grvA-5d0fA:
11.25
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 GLU A 944
ILE A 945
ASP A 981
ASN A1018
PRO A1020
 None
 0.69A 3grvA-5ffjA:
13.5		 3grvA-5ffjA:
11.79
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 GLU C 413
ILE C 414
ALA C 461
ASN C 481
PRO C 483
 SFG  C1002 (-2.8A)
SFG  C1002 (-3.9A)
SFG  C1002 (-3.8A)
SFG  C1002 (-3.8A)
SFG  C1002 (-4.1A)
 0.69A 3grvA-5hr4C:
13.1		 3grvA-5hr4C:
16.19
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  16
GLU A  37
ILE A  38
ASP A  63
 NAD  A 301 (-3.4A)
NAD  A 301 (-4.2A)
NAD  A 301 (-2.8A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.8A)
 0.50A 3grvA-5jy1A:
6.0		 3grvA-5jy1A:
20.13
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.
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)
 0.86A 3grvA-5t5qA:
6.4		 3grvA-5t5qA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.76A 3grvA-5u1oA:
3.4		 3grvA-5u1oA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 131
GLY A 133
ASN A 194
PRO A 196
ILE A 214
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
IOD  A 409 (-4.2A)
 0.73A 3grvA-5u4tA:
10.2		 3grvA-5u4tA:
21.25
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.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 275
GLY A 277
GLU A 298
ILE A 299
ASP A 300
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.3A)
NAD  A 501 (-2.7A)
NAD  A 501 (-4.1A)
None
 0.61A 3grvA-5utuA:
4.3		 3grvA-5utuA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 261
GLY A 263
GLU A 284
ILE A 285
ASP A 286
ILE A 322
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.1A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.0A)
None
NAD  A 501 (-4.8A)
 1.18A 3grvA-5v96A:
3.6		 3grvA-5v96A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 220
GLY A 222
GLU A 243
ILE A 244
ASP A 245
ILE A 281
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.3A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
None
NAD  A 501 (-4.8A)
 1.15A 3grvA-5w4bA:
4.0		 3grvA-5w4bA:
21.97
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		6 GLY A 501
GLY A 503
GLU A 524
ILE A 525
ASP A 526
ASP A 551
 SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
SAH  A 705 (-2.7A)
SAH  A 705 (-3.6A)
None
SAH  A 705 (-3.4A)
 0.25A 3grvA-5wcjA:
13.0		 3grvA-5wcjA:
24.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.47A 3grvA-5xncA:
12.5		 3grvA-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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 GLY A 225
GLY A 227
GLU A 248
ILE A 249
ASP A 250
ILE A 286
 NAD  A 500 (-3.6A)
NAD  A 500 (-3.2A)
NAD  A 500 (-2.9A)
NAD  A 500 (-4.1A)
None
NAD  A 500 (-4.8A)
 1.19A 3grvA-6aphA:
3.9		 3grvA-6aphA:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 6 GLY A 106
GLY A 108
ILE A 130
ASP A 131
ASP A 160
ALA A 161
 TER  A 402 ( 4.1A)
CL  A 401 (-4.6A)
None
None
None
None
 1.07A 3grvA-6bq6A:
11.3		 3grvA-6bq6A:
12.24
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.
6gbn -

(-) 		no annotation 6 GLY A 223
GLY A 225
GLU A 246
ILE A 247
ASP A 248
ILE A 284
 NAD  A 502 ( 3.7A)
NAD  A 502 (-3.3A)
NAD  A 502 (-2.8A)
NAD  A 502 (-4.2A)
None
NAD  A 502 (-4.6A)
 1.18A 3grvA-6gbnA:
4.1		 3grvA-6gbnA:
undetectable