SIMILAR PATTERNS OF AMINO ACIDS FOR 3GRY_A_SAMA300_0

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.
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
 1.03A 3gryA-1dusA:
13.8		 3gryA-1dusA:
23.79
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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		7 GLU A  45
GLU A  71
ILE A  72
ASP A  73
ASP A  89
ASN A 105
PRO A 107
 None
NEA  A 500 (-2.8A)
NEA  A 500 (-3.8A)
None
NEA  A 500 (-3.4A)
NEA  A 500 (-4.5A)
NEA  A 500 (-3.8A)
 0.61A 3gryA-1g38A:
14.3		 3gryA-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) 		6 GLU A  97
GLY A  99
GLY A 101
GLU A 121
LEU A 126
ASP A 148
 None
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)
 0.83A 3gryA-1jg3A:
10.3		 3gryA-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.
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
 0.39A 3gryA-1mjfA:
11.8		 3gryA-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
 0.87A 3gryA-1ne2A:
15.4		 3gryA-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) 		10 LEU A  20
GLU A  43
GLY A  45
GLY A  47
GLU A  66
ASP A  68
ASP A  91
ALA A  92
ASN A 113
PRO A 115
 None
 0.83A 3gryA-1qyrA:
27.7		 3gryA-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) 		10 LEU A  20
GLU A  43
GLY A  45
GLY A  47
GLU A  66
ASP A  68
LEU A  71
ALA A  92
ASN A 113
PRO A 115
 None
 0.82A 3gryA-1qyrA:
27.7		 3gryA-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) 		6 LEU A  51
GLY A  47
GLU A  66
ASP A  68
ASP A  91
ALA A  92
 None
 1.35A 3gryA-1qyrA:
27.7		 3gryA-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) 		6 LEU A  51
GLY A  47
GLU A  66
ASP A  68
LEU A  71
ALA A  92
 None
 1.35A 3gryA-1qyrA:
27.7		 3gryA-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)
 0.66A 3gryA-1v8bA:
4.5		 3gryA-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 GLU A  76
GLY A  78
GLY A  80
GLU A  99
ILE A 100
ASP A 124
 None
 0.80A 3gryA-1vbfA:
10.0		 3gryA-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)
 0.50A 3gryA-1wy7A:
16.8		 3gryA-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 3gryA-1wy7A:
16.8		 3gryA-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)
 0.50A 3gryA-1x87A:
7.1		 3gryA-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
 0.47A 3gryA-1xj5A:
12.4		 3gryA-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) 		6 GLU A  96
GLY A  98
GLY A 100
GLU A 122
ASP A 124
ASP A 150
 None
 0.43A 3gryA-1yb2A:
13.8		 3gryA-1yb2A:
26.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		6 GLU A  86
GLY A  88
GLY A  90
GLU A 118
ILE A 119
LEU A 123
 None
 0.71A 3gryA-1zkdA:
10.1		 3gryA-1zkdA:
21.08
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 LEU A  39
GLU A  62
GLY A  64
GLY A  66
GLU A  85
ASP A  87
LEU A  90
ASP A 113
ASN A 128
 None
None
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)
 0.64A 3gryA-1zq9A:
27.8		 3gryA-1zq9A:
35.74
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 LEU A  39
GLY A  64
GLY A  66
GLU A  85
ASP A  87
LEU A  90
ASP A 113
ASN A 128
PRO A 130
 None
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)
 0.91A 3gryA-1zq9A:
27.8		 3gryA-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) 		7 GLU A  36
GLY A  38
GLY A  40
GLU A  59
ILE A  60
LEU A  64
ASP A  84
 None
 1.26A 3gryA-2ercA:
20.8		 3gryA-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 GLU A  36
GLY A  38
GLY A  40
GLU A  59
LEU A  64
ASN A 101
 None
 1.07A 3gryA-2ercA:
20.8		 3gryA-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)
 0.31A 3gryA-2fknA:
7.8		 3gryA-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) 		6 GLU A  60
GLY A  62
GLU A  85
ASP A  87
ASP A 113
ALA A 114
 None
None
None
None
ZN  A 306 ( 4.7A)
None
 0.50A 3gryA-2gpyA:
13.9		 3gryA-2gpyA:
19.54
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) 		6 LEU A   4
GLU A  27
GLY A  29
GLY A  31
ASP A  52
ASN A  92
 None
 0.83A 3gryA-2h1rA:
26.2		 3gryA-2h1rA:
38.87
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) 		7 LEU A   4
GLU A  27
GLY A  29
GLY A  31
ILE A  51
ASP A  52
ALA A  78
 None
 0.90A 3gryA-2h1rA:
26.2		 3gryA-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)
 0.43A 3gryA-2pt6A:
12.2		 3gryA-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)
 0.97A 3gryA-2pt6A:
12.2		 3gryA-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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		6 GLU A  45
GLY A  47
GLY A  49
ASP A  70
ASP A  94
ALA A  95
 None
 1.16A 3gryA-2yr0A:
12.0		 3gryA-2yr0A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLU A  83
GLY A  85
GLY A  87
GLU A 109
LEU A 114
ASP A 136
 None
 0.79A 3gryA-2yxeA:
11.5		 3gryA-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
 0.38A 3gryA-2zsuA:
11.8		 3gryA-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
GLU A 262
ASP A 264
ASP A 288
ASN A 305
PRO A 307
 SAH  A 376 (-3.1A)
SAH  A 376 (-2.7A)
None
SAH  A 376 (-4.1A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
 0.94A 3gryA-2zwvA:
11.2		 3gryA-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.
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)
 1.22A 3gryA-2zwvA:
11.2		 3gryA-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) 		7 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 113
ASP A 140
ALA A 141
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-3.9A)
MTA  A 315 (-3.5A)
 1.27A 3gryA-3anxA:
10.7		 3gryA-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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLU A  76
GLY A  78
ASP A 104
ASP A 130
ALA A 131
 SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
None
SAH  A 464 (-4.1A)
SAH  A 464 (-3.5A)
 0.67A 3gryA-3c3yA:
13.3		 3gryA-3c3yA:
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.
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)
 0.40A 3gryA-3c6mA:
13.9		 3gryA-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
 0.55A 3gryA-3c85A:
6.9		 3gryA-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) 		5 GLY A 282
GLY A 284
GLU A 305
ILE A 306
ASP A 307
 NAD  A 550 ( 3.7A)
NAD  A 550 (-3.2A)
NAD  A 550 (-2.9A)
NAD  A 550 (-4.0A)
None
 0.58A 3gryA-3ce6A:
3.3		 3gryA-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.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLU A  69
GLY A  71
GLU A  94
ASP A 121
ALA A 122
 None
 0.47A 3gryA-3dxxA:
10.9		 3gryA-3dxxA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLU A  69
GLY A  71
GLY A  73
ASP A 121
ALA A 122
 None
 0.67A 3gryA-3dxxA:
10.9		 3gryA-3dxxA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		6 LEU A 438
GLY A 428
GLY A 431
ILE A 397
ASP A 398
ALA A 394
 None
None
None
None
ANP  A 480 (-3.2A)
None
 1.35A 3gryA-3fhtA:
3.7		 3gryA-3fhtA:
22.25
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		9 LEU A  30
GLU A  52
GLY A  54
GLY A  56
GLU A  75
ASP A  77
LEU A  80
ASP A  99
ALA A 100
 None
 0.69A 3gryA-3futA:
24.4		 3gryA-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) 		7 LEU A  30
GLY A  54
GLY A  56
GLU A  75
LEU A  84
ASP A  99
ALA A 100
 None
 1.46A 3gryA-3futA:
24.4		 3gryA-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 LEU A  30
GLY A  56
GLU A  75
ASP A  77
LEU A  80
PRO A 119
 None
 0.90A 3gryA-3futA:
24.4		 3gryA-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 LEU A  60
GLY A  56
GLU A  75
ASP A  77
LEU A  80
ASP A  99
 None
 1.09A 3gryA-3futA:
24.4		 3gryA-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) 		12 LEU A  13
GLU A  36
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
 None
 0.35A 3gryA-3fydA:
40.6		 3gryA-3fydA:
100.00
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) 		8 LEU A  44
GLY A  40
GLU A  59
ILE A  60
ASP A  61
LEU A  64
ASP A  84
PRO A 103
 None
 1.49A 3gryA-3fydA:
40.6		 3gryA-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
 0.69A 3gryA-3g7uA:
10.3		 3gryA-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
 0.79A 3gryA-3gjyA:
11.0		 3gryA-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
 0.91A 3gryA-3gjyA:
11.0		 3gryA-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 3gryA-3glqA:
4.0		 3gryA-3glqA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		6 LEU A 392
GLU A  73
GLY A  75
ILE A 110
LEU A  61
ASP A 111
 None
 1.41A 3gryA-3griA:
undetectable		 3gryA-3griA:
21.13
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) 		12 LEU A  13
GLU A  36
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
 SAM  A 300 (-4.0A)
SAM  A 300 (-4.4A)
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)
 0.00A 3gryA-3gryA:
43.4		 3gryA-3gryA:
100.00
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) 		8 LEU A  44
GLY A  40
GLU A  59
ILE A  60
ASP A  61
LEU A  64
ASP A  84
PRO A 103
 SAM  A 300 ( 4.7A)
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 (-3.8A)
 1.42A 3gryA-3gryA:
43.4		 3gryA-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.
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
 0.53A 3gryA-3gvpA:
4.4		 3gryA-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) 		6 GLU A  81
GLY A  83
GLY A  85
GLU A 104
LEU A 109
ASP A 131
 SAH  A 300 ( 4.7A)
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)
 0.84A 3gryA-3lbfA:
11.7		 3gryA-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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 269
GLY A 271
GLU A 292
ILE A 293
ASP A 294
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.2A)
NAD  A 501 (-2.9A)
NAD  A 501 (-4.1A)
None
 0.64A 3gryA-3oneA:
3.4		 3gryA-3oneA:
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLU A  64
GLY A  66
GLY A  68
GLU A 101
ASP A 156
 None
 0.57A 3gryA-3pvcA:
10.0		 3gryA-3pvcA:
16.84
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) 		8 GLU B  36
GLY B  38
GLU B  60
ASP B  62
ASP B  83
ALA B  84
ASN B 101
PRO B 103
 None
 1.15A 3gryA-3r9xB:
23.9		 3gryA-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)
 0.50A 3gryA-3rw9A:
12.0		 3gryA-3rw9A:
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.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		5 GLU A  67
GLY A  69
GLU A  93
ASP A  95
ALA A 122
 None
 0.53A 3gryA-3tfwA:
14.1		 3gryA-3tfwA:
19.88
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 LEU A 202
GLU A 248
ASP A 276
ALA A 277
ASN A 293
PRO A 295
 SFG  A 401 (-4.5A)
SFG  A 401 (-2.6A)
SFG  A 401 (-3.4A)
SFG  A 401 (-3.1A)
SFG  A 401 (-4.4A)
SFG  A 401 ( 4.4A)
 1.21A 3gryA-3tm5A:
15.4		 3gryA-3tm5A:
22.76
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 LEU A  15
GLU A  38
GLY A  40
GLY A  42
GLU A  61
ILE A  62
ASP A  63
LEU A  66
ASP A  86
ALA A  87
 None
 0.80A 3gryA-3tqsA:
27.7		 3gryA-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) 		10 LEU A  15
GLU A  38
GLY A  42
GLU A  61
ILE A  62
ASP A  63
LEU A  66
ASP A  86
ALA A  87
ASN A 106
 None
 0.79A 3gryA-3tqsA:
27.7		 3gryA-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 LEU A  15
GLY A  40
GLY A  42
LEU A  70
ASP A  86
ALA A  87
 None
 1.44A 3gryA-3tqsA:
27.7		 3gryA-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 LEU A  15
GLY A  42
GLU A  61
ASP A  63
LEU A  66
ASN A 106
PRO A 108
 None
 0.98A 3gryA-3tqsA:
27.7		 3gryA-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 LEU A  15
GLY A  42
LEU A  70
ASP A  86
ALA A  87
ASN A 106
 None
 1.36A 3gryA-3tqsA:
27.7		 3gryA-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) 		8 LEU A  46
GLY A  42
GLU A  61
ILE A  62
ASP A  63
LEU A  66
ASP A  86
ALA A  87
 None
 1.35A 3gryA-3tqsA:
27.7		 3gryA-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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		9 GLU A  44
GLY A  46
GLY A  48
GLU A  71
ASP A  73
LEU A  76
ASP A  94
ALA A  95
ASN A 117
 None
 0.65A 3gryA-3uzuA:
26.2		 3gryA-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) 		6 GLY A  48
ASP A  73
LEU A  76
ASP A  94
ASN A 117
PRO A 119
 None
 1.15A 3gryA-3uzuA:
26.2		 3gryA-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) 		9 LEU A  21
GLU A  44
GLY A  46
GLY A  48
GLU A  71
ASP A  73
LEU A  76
ASP A  94
ALA A  95
 None
 0.57A 3gryA-3uzuA:
26.2		 3gryA-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) 		6 LEU A  21
GLY A  48
ASP A  73
LEU A  76
ASP A  94
PRO A 119
 None
 1.04A 3gryA-3uzuA:
26.2		 3gryA-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 LEU A  52
GLY A  48
GLU A  71
ASP A  73
LEU A  76
ASP A  94
ALA A  95
 None
 1.22A 3gryA-3uzuA:
26.2		 3gryA-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)
 0.59A 3gryA-3vywA:
10.3		 3gryA-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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		8 LEU A  38
GLU A  61
GLY A  63
GLY A  65
GLU A  85
ASP A  87
ASP A 111
ASN A 141
 None
None
ACT  A 402 (-3.4A)
None
ACT  A 402 (-2.9A)
None
None
None
 0.73A 3gryA-4gc5A:
26.0		 3gryA-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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		8 LEU A  38
GLY A  63
GLY A  65
GLU A  85
ASP A  87
ASP A 111
ASN A 141
PRO A 143
 None
ACT  A 402 (-3.4A)
None
ACT  A 402 (-2.9A)
None
None
None
ACT  A 402 ( 4.9A)
 1.06A 3gryA-4gc5A:
26.0		 3gryA-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.
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)
 1.33A 3gryA-4j9vA:
10.5		 3gryA-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 GLU A  48
GLY A  50
GLU A  72
ASP A  74
ALA A  98
ASN A 116
PRO A 118
 None
 0.74A 3gryA-4jxjA:
27.4		 3gryA-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 GLU A  48
GLY A  50
GLY A  52
GLU A  72
ALA A  98
ASN A 116
PRO A 118
 None
 0.71A 3gryA-4jxjA:
27.4		 3gryA-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.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		6 GLU A  81
GLY A  83
GLY A  85
GLU A 104
LEU A 109
ASP A 131
 SAH  A 301 ( 4.6A)
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)
 0.80A 3gryA-4l7vA:
12.0		 3gryA-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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		7 GLU A  78
GLY A  80
GLY A  82
GLU A 104
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 (-2.8A)
SAH  A 500 (-3.7A)
SAH  A 500 (-3.8A)
SAH  A 500 (-4.0A)
 0.92A 3gryA-4o29A:
11.0		 3gryA-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.
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)
 0.45A 3gryA-4uoeA:
11.9		 3gryA-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)
 0.95A 3gryA-4uoeA:
11.9		 3gryA-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.
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
 0.91A 3gryA-4xqkA:
13.1		 3gryA-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) 		6 GLY A  31
GLU A  53
ILE A  54
ASP A  55
LEU A  58
ASP A  81
 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)
 0.60A 3gryA-5bxyA:
14.9		 3gryA-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.
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)
 0.97A 3gryA-5bxyA:
14.9		 3gryA-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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLU A 109
GLY A 111
GLY A 113
GLU A 135
ASP A 163
 None
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-2.2A)
SAH  A 301 (-2.7A)
 0.65A 3gryA-5ccxA:
15.6		 3gryA-5ccxA:
19.14
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLU B 116
GLY B 118
GLY B 120
GLU B 139
ASP B 168
 None
SAM  B 401 (-3.4A)
SAM  B 401 (-3.3A)
SAM  B 401 (-2.9A)
SAM  B 401 (-3.5A)
 0.65A 3gryA-5ergB:
14.6		 3gryA-5ergB:
20.76
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.
5fi5 TETRAHYDROALSTONINE
SYNTHASE

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 LEU A 160
GLU A  77
GLY A  52
ILE A 349
ASP A 348
ALA A 133
 None
ZN  A 402 (-3.0A)
None
None
None
None
 1.46A 3gryA-5fi5A:
5.0		 3gryA-5fi5A:
24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.71A 3gryA-5hr4C:
13.0		 3gryA-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)
 0.49A 3gryA-5jy1A:
6.0		 3gryA-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.
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
 0.60A 3gryA-5utuA:
4.3		 3gryA-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) 		5 GLY A 261
GLY A 263
GLU A 284
ILE A 285
ASP A 286
 NAD  A 501 (-3.6A)
NAD  A 501 (-3.1A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.0A)
None
 0.57A 3gryA-5v96A:
3.8		 3gryA-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) 		5 GLY A 220
GLY A 222
GLU A 243
ILE A 244
ASP A 245
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.3A)
NAD  A 501 (-2.8A)
NAD  A 501 (-4.2A)
None
 0.57A 3gryA-5w4bA:
4.3		 3gryA-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)
 0.28A 3gryA-5wcjA:
12.3		 3gryA-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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLU A  64
GLY A  66
GLY A  68
ILE A  91
ALA A 120
 SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.5A)
 0.64A 3gryA-5x7fA:
13.1		 3gryA-5x7fA:
24.50
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.
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)
 0.49A 3gryA-5xncA:
12.5		 3gryA-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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLU A  60
GLY A  62
GLU A  85
ASP A 113
ALA A 114
 SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.7A)
 0.41A 3gryA-5zw4A:
14.3		 3gryA-5zw4A:
23.13
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 225
GLY A 227
GLU A 248
ILE A 249
ASP A 250
 NAD  A 500 (-3.6A)
NAD  A 500 (-3.2A)
NAD  A 500 (-2.9A)
NAD  A 500 (-4.1A)
None
 0.67A 3gryA-6aphA:
4.4		 3gryA-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
 1.13A 3gryA-6bq6A:
11.2		 3gryA-6bq6A:
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.
6gbn -

(-) 		no annotation 5 GLY A 223
GLY A 225
GLU A 246
ILE A 247
ASP A 248
 NAD  A 502 ( 3.7A)
NAD  A 502 (-3.3A)
NAD  A 502 (-2.8A)
NAD  A 502 (-4.2A)
None
 0.62A 3gryA-6gbnA:
4.5		 3gryA-6gbnA:
undetectable