SIMILAR PATTERNS OF AMINO ACIDS FOR 3DXY_A_SAMA1

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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
GLU A 107
ASP A 134
 SAH  A 699 (-3.4A)
SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-2.9A)
SAH  A 699 (-3.5A)
 0.58A 3dxyA-1dl5A:
7.6		 3dxyA-1dl5A:
20.68
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
GLU A 107
PHE A 205
 SAH  A 699 (-3.4A)
SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-2.9A)
None
 1.00A 3dxyA-1dl5A:
7.6		 3dxyA-1dl5A:
20.68
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.
1gcw PROTEIN (HEMOGLOBIN)

(Mustelus
griseus) 		PF00042
(Globin) 		5 GLY A  25
GLY A  60
VAL A  55
HIS A  58
ALA A  50
 None
None
None
HEM  A 141 ( 4.0A)
None
 1.03A 3dxyA-1gcwA:
undetectable		 3dxyA-1gcwA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8t UDP-GALACTOPYRANOSE
MUTASE

(Escherichia
coli) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A   8
ILE A  30
GLU A  31
HIS A  35
ASP A 212
 FAD  A 450 (-3.2A)
None
FAD  A 450 (-2.8A)
None
FAD  A 450 (-3.5A)
 1.00A 3dxyA-1i8tA:
2.1		 3dxyA-1i8tA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 GLU A 105
GLY A 107
GLY A 109
GLU A 131
HIS A 136
ASP A 161
 None
SAM  A 301 (-2.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
 0.93A 3dxyA-1i9gA:
14.7		 3dxyA-1i9gA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		6 GLU A  97
GLY A  99
GLY A 101
ILE A 120
GLU A 121
ASP A 148
 None
ADN  A 500 (-3.2A)
ADN  A 500 (-3.4A)
ADN  A 500 (-4.6A)
ADN  A 500 (-2.9A)
ADN  A 500 (-3.7A)
 0.58A 3dxyA-1jg3A:
7.8		 3dxyA-1jg3A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 GLY A  41
GLY A  43
ILE A  61
ASP A  90
ALA A  91
 SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
None
SAH  A 801 (-3.8A)
SAH  A 801 (-3.2A)
 0.44A 3dxyA-1l3iA:
13.6		 3dxyA-1l3iA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ILE A  65
ASP A  94
ALA A  95
 None
 0.82A 3dxyA-1nkvA:
12.2		 3dxyA-1nkvA:
25.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofi ATP-DEPENDENT
PROTEASE HSLV

(Haemophilus
influenzae) 		PF00227
(Proteasome) 		5 GLY G 124
GLY G  48
ALA G 122
PHE G 162
ASP G  17
 LVS  G   0 (-3.5A)
LVS  G   0 (-3.4A)
None
None
None
 0.85A 3dxyA-1ofiG:
undetectable		 3dxyA-1ofiG:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		7 GLU A  43
GLY A  45
GLY A  47
ILE A  65
GLU A  66
ASP A  91
ALA A  92
 None
 0.61A 3dxyA-1qyrA:
9.4		 3dxyA-1qyrA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 192
GLU A 213
ASP A 240
PHE A 256
 SAM  A 635 (-3.8A)
SAM  A 635 (-3.5A)
SAM  A 635 (-2.9A)
SAM  A 635 (-3.7A)
None
 0.57A 3dxyA-1qzzA:
12.9		 3dxyA-1qzzA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		5 GLY A  86
GLY A  88
ILE A 114
GLU A 115
ASP A 147
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.2A)
None
SAH  A 300 (-2.9A)
SAH  A 300 (-3.6A)
 0.49A 3dxyA-1r18A:
9.2		 3dxyA-1r18A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		5 GLU A  76
GLY A  78
GLY A  80
GLU A  99
ASP A 124
 None
 0.62A 3dxyA-1vbfA:
6.7		 3dxyA-1vbfA:
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.
1vlm SAM-DEPENDENT
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 GLU A  41
GLY A  43
GLY A  45
GLU A  60
ALA A  81
 None
NA  A 300 (-4.1A)
None
None
None
 0.70A 3dxyA-1vlmA:
10.7		 3dxyA-1vlmA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLY A  57
GLY A  59
GLU A  79
VAL A  80
ASP A 105
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 (-2.8A)
SAH  A1001 (-4.0A)
SAH  A1001 (-3.2A)
 0.58A 3dxyA-1wy7A:
11.0		 3dxyA-1wy7A:
23.24
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 169
ILE A 191
GLU A 192
VAL A 193
ALA A 239
 NAD  A 600 ( 3.8A)
None
NAD  A 600 (-2.7A)
NAD  A 600 (-4.1A)
NAD  A 600 (-3.6A)
 0.57A 3dxyA-1x87A:
6.7		 3dxyA-1x87A:
18.23
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.
1yzh TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Streptococcus
pneumoniae) 		PF02390
(Methyltransf_4) 		6 GLU A  44
GLY A  46
GLY A  48
ILE A  68
PHE A 116
ASP A 118
 None
 0.53A 3dxyA-1yzhA:
22.8		 3dxyA-1yzhA:
28.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		6 GLU A 109
GLY A 111
GLY A 113
GLU A 135
HIS A 140
ASP A 173
 None
SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-2.9A)
SAM  A 601 (-4.0A)
SAM  A 601 (-3.4A)
 0.98A 3dxyA-2b25A:
12.6		 3dxyA-2b25A:
19.41
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.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		6 GLU A 109
GLY A 111
GLY A 113
GLU A 135
VAL A 136
HIS A 140
 None
SAM  A 601 (-2.9A)
SAM  A 601 (-3.2A)
SAM  A 601 (-2.9A)
SAM  A 601 (-4.0A)
SAM  A 601 (-4.0A)
 1.00A 3dxyA-2b25A:
12.6		 3dxyA-2b25A:
19.41
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.
2erc RRNA METHYL
TRANSFERASE

(Bacillus
subtilis) 		PF00398
(RrnaAD) 		6 GLU A  36
GLY A  38
GLY A  40
ILE A  58
GLU A  59
ASP A  84
 None
 0.91A 3dxyA-2ercA:
10.9		 3dxyA-2ercA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		6 GLU A  44
GLY A  46
GLU A  69
ALA A  97
PHE A 116
ASP A 118
 None
K  A 250 (-3.9A)
None
None
None
None
 0.76A 3dxyA-2fcaA:
23.8		 3dxyA-2fcaA:
27.19
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		6 GLU A  44
GLY A  46
GLU A  69
ASP A  96
ALA A  97
PHE A 116
 None
K  A 250 (-3.9A)
None
None
None
None
 1.16A 3dxyA-2fcaA:
23.8		 3dxyA-2fcaA:
27.19
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		7 GLU A  44
GLY A  46
GLY A  48
ILE A  68
GLU A  69
ASP A  96
PHE A 116
 None
K  A 250 (-3.9A)
None
None
None
None
None
 0.76A 3dxyA-2fcaA:
23.8		 3dxyA-2fcaA:
27.19
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		7 GLU A  44
GLY A  46
GLY A  48
ILE A  68
GLU A  69
PHE A 116
ASP A 118
 None
K  A 250 (-3.9A)
None
None
None
None
None
 0.52A 3dxyA-2fcaA:
23.8		 3dxyA-2fcaA:
27.19
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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		5 GLY A 216
GLY A 213
ILE A 220
VAL A 142
HIS A 212
 None
 0.95A 3dxyA-2g02A:
undetectable		 3dxyA-2g02A:
19.13
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		6 GLU A  60
GLY A  62
ILE A  84
GLU A  85
ASP A 113
ALA A 114
 None
None
None
None
ZN  A 306 ( 4.7A)
None
 0.70A 3dxyA-2gpyA:
12.5		 3dxyA-2gpyA:
27.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h1r DIMETHYLADENOSINE
TRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF00398
(RrnaAD) 		5 GLU A  27
GLY A  29
GLY A  31
ILE A  49
ALA A  78
 None
 0.88A 3dxyA-2h1rA:
9.8		 3dxyA-2h1rA:
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.
2hrz NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 GLY A  15
GLY A  18
ILE A  45
VAL A  47
ASP A  66
 None
 0.98A 3dxyA-2hrzA:
4.1		 3dxyA-2hrzA:
20.18
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.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		5 GLY A  30
GLY A  32
ILE A  51
GLU A  52
ASP A  78
 GOL  A 213 ( 3.7A)
None
None
GOL  A 213 (-3.6A)
None
 0.75A 3dxyA-2p8jA:
5.4		 3dxyA-2p8jA:
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
GLU A 147
ASP A 178
ALA A 179
 S4M  A 501 (-3.4A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
 0.54A 3dxyA-2pt6A:
11.1		 3dxyA-2pt6A:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qr4 PEPTIDASE M3B,
OLIGOENDOPEPTIDASE F

(Enterococcus
faecium) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		6 GLU A 191
GLY A 190
GLY A 193
ILE A 188
GLU A 189
ALA A 217
 None
 1.39A 3dxyA-2qr4A:
undetectable		 3dxyA-2qr4A:
17.04
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 GLY E 103
GLY E 105
GLU E 126
ALA E 162
PHE E 182
 SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
SAM  E1287 (-2.6A)
SAM  E1287 (-3.9A)
SAM  E1287 (-4.6A)
 0.47A 3dxyA-2vdvE:
17.8		 3dxyA-2vdvE:
26.19
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.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLU A 419
GLY A 730
ILE A 417
VAL A 170
ALA A 166
 None
 1.00A 3dxyA-2vpwA:
undetectable		 3dxyA-2vpwA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw THIOSULFATE
REDUCTASE

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLU A 419
GLY A 731
ILE A 417
VAL A 170
ALA A 166
 None
 0.95A 3dxyA-2vpwA:
undetectable		 3dxyA-2vpwA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		5 GLU A  97
GLY A  99
GLY A 101
GLU A 120
ASP A 148
 None
SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
SAM  A 601 (-2.7A)
SAM  A 601 (-3.1A)
 0.79A 3dxyA-2yvlA:
14.2		 3dxyA-2yvlA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		6 GLU A  83
GLY A  85
GLY A  87
ILE A 108
GLU A 109
ASP A 136
 None
 0.62A 3dxyA-2yxeA:
10.0		 3dxyA-2yxeA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLU A  76
GLY A  78
ILE A 101
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)
 0.60A 3dxyA-3c3yA:
13.4		 3dxyA-3c3yA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c85 PUTATIVE
GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFB

(Vibrio
parahaemolyticus) 		PF02254
(TrkA_N) 		5 GLY A  42
GLY A  44
ILE A  65
ASP A  86
ALA A  87
 None
None
None
SO4  A 201 (-4.4A)
None
 1.04A 3dxyA-3c85A:
7.7		 3dxyA-3c85A:
23.58
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) 		5 GLY A  42
ILE A  65
GLU A  66
ASP A  86
ALA A  87
 None
None
None
SO4  A 201 (-4.4A)
None
 0.90A 3dxyA-3c85A:
7.7		 3dxyA-3c85A:
23.58
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.
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Homo sapiens) 		PF02390
(Methyltransf_4) 		6 GLY A  54
GLY A  56
GLU A  77
ALA A 111
PHE A 131
ASP A 133
 GOL  A 302 ( 3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-4.8A)
GOL  A 302 ( 3.6A)
 0.60A 3dxyA-3ckkA:
19.9		 3dxyA-3ckkA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE

(Aquifex
aeolicus) 		PF13847
(Methyltransf_31) 		5 GLY A  45
GLY A  47
ILE A  68
VAL A  70
PHE A 114
 SAM  A 220 (-3.5A)
SAM  A 220 ( 3.7A)
None
SAM  A 220 ( 4.1A)
None
 0.67A 3dxyA-3dh0A:
13.1		 3dxyA-3dh0A:
25.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		10 GLU A  69
GLY A  71
GLY A  73
ILE A  93
GLU A  94
VAL A  95
HIS A  96
ASP A 121
ALA A 122
PHE A 142
 None
 0.12A 3dxyA-3dxxA:
38.2		 3dxyA-3dxxA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dxx TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLY A  73
GLU A  94
VAL A  95
ASP A 121
PHE A 141
 None
 1.03A 3dxyA-3dxxA:
38.2		 3dxyA-3dxxA:
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.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		5 GLU A  86
GLY A  88
GLY A  90
GLU A 111
VAL A 112
 None
 0.57A 3dxyA-3evzA:
12.8		 3dxyA-3evzA:
25.81
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		7 GLU A  52
GLY A  54
GLY A  56
ILE A  74
GLU A  75
ASP A  99
ALA A 100
 None
 0.76A 3dxyA-3futA:
9.3		 3dxyA-3futA:
26.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLU A  36
GLY A  38
GLY A  40
ILE A  58
ASP A  84
ALA A  85
 None
 0.86A 3dxyA-3fydA:
10.5		 3dxyA-3fydA:
18.35
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLU A  36
GLY A  38
ILE A  58
GLU A  59
ASP A  84
ALA A  85
 None
 0.50A 3dxyA-3fydA:
10.5		 3dxyA-3fydA:
18.35
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLU A  36
GLY A  38
GLY A  40
ASP A  84
ALA A  85
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.73A 3dxyA-3gryA:
11.0		 3dxyA-3gryA:
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLU A  36
GLY A  38
ILE A  58
GLU A  59
ASP A  84
ALA A  85
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.3A)
None
SAM  A 300 (-2.8A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.6A)
 0.48A 3dxyA-3gryA:
11.0		 3dxyA-3gryA:
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.
3gu3 METHYLTRANSFERASE

(Bacillus cereus) 		PF13847
(Methyltransf_31) 		5 GLY A  47
GLY A  49
ILE A  70
ASP A  97
ALA A  98
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
None
SAH  A 401 (-3.3A)
SAH  A 401 (-3.3A)
 0.62A 3dxyA-3gu3A:
13.8		 3dxyA-3gu3A:
23.31
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLU A  51
GLY A  53
GLY A  55
ILE A  73
GLU A  74
 None
 0.47A 3dxyA-3hnrA:
11.0		 3dxyA-3hnrA:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4y CATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 GLU A 103
GLY A 104
ILE A 102
VAL A  81
ASP A 248
ALA A 252
 None
35C  A   1 (-3.0A)
35C  A   1 (-4.7A)
35C  A   1 (-4.7A)
None
None
 1.32A 3dxyA-3i4yA:
undetectable		 3dxyA-3i4yA:
22.73
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.
3j97 ALPHA-SOLUBLE NSF
ATTACHMENT PROTEIN

(Rattus
norvegicus) 		no annotation 5 GLU H 186
GLY H 189
ILE H 184
ALA H 169
ASP H 204
 None
 0.97A 3dxyA-3j97H:
undetectable		 3dxyA-3j97H:
20.58
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.
3lbf PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Escherichia
coli) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
GLU A 104
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 (-3.7A)
 0.54A 3dxyA-3lbfA:
8.0		 3dxyA-3lbfA:
23.01
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.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		5 GLU A  41
GLY A  43
GLY A  45
ILE A  65
PHE A 111
 None
 0.52A 3dxyA-3mggA:
15.3		 3dxyA-3mggA:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 GLY A  42
GLY A  44
ILE A  62
GLU A  63
ALA A  92
 SAH  A 300 (-3.1A)
SAH  A 300 (-3.4A)
None
SAH  A 300 (-2.6A)
SAH  A 300 (-4.2A)
 0.77A 3dxyA-3njrA:
12.0		 3dxyA-3njrA:
22.41
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 GLU A  77
GLY A  79
ILE A 101
GLU A 102
ALA A 131
 SO4  A 233 (-4.0A)
None
None
None
None
 0.51A 3dxyA-3ntvA:
12.4		 3dxyA-3ntvA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r9x RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Aquifex
aeolicus) 		PF00398
(RrnaAD) 		5 GLU B  36
ILE B  59
GLU B  60
ASP B  83
ALA B  84
 None
 0.76A 3dxyA-3r9xB:
10.0		 3dxyA-3r9xB:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 GLU A  38
GLY A  40
GLU A  61
ASP A  86
ALA A  87
 None
 0.91A 3dxyA-3tqsA:
10.8		 3dxyA-3tqsA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqs RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Coxiella
burnetii) 		PF00398
(RrnaAD) 		5 GLU A  38
GLY A  40
GLY A  42
ASP A  86
ALA A  87
 None
 0.78A 3dxyA-3tqsA:
10.8		 3dxyA-3tqsA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr5 PEPTIDE CHAIN
RELEASE FACTOR 3

(Coxiella
burnetii) 		PF00009
(GTP_EFTU)
PF16658
(RF3_C) 		5 GLY A 253
GLY A 260
ILE A 138
ASP A 111
ALA A 112
 None
 0.86A 3dxyA-3tr5A:
undetectable		 3dxyA-3tr5A:
17.90
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLU A  44
GLY A  46
GLU A  71
ASP A  94
ALA A  95
 None
 0.67A 3dxyA-3uzuA:
9.9		 3dxyA-3uzuA:
22.61
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLU A  44
GLY A  46
GLY A  48
ASP A  94
ALA A  95
 None
 0.56A 3dxyA-3uzuA:
9.9		 3dxyA-3uzuA:
22.61
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 GLY B   9
GLY B  10
ILE B  33
GLU B  34
ALA B  77
 FAD  B 501 (-3.4A)
FAD  B 501 ( 4.9A)
FAD  B 501 (-4.9A)
FAD  B 501 (-2.7A)
FAD  B 501 (-3.8A)
 0.98A 3dxyA-3vrdB:
undetectable		 3dxyA-3vrdB:
19.41
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)
 0.61A 3dxyA-3vywA:
9.2		 3dxyA-3vywA:
22.40
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 GLY A  72
GLY A  74
ILE A  93
GLU A  94
VAL A  95
 SAH  A1689 (-3.0A)
SAH  A1689 ( 3.7A)
SAH  A1689 ( 4.8A)
SAH  A1689 (-2.6A)
SAH  A1689 (-4.0A)
 0.62A 3dxyA-4c4aA:
7.2		 3dxyA-4c4aA:
15.61
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLU A  61
GLY A  63
GLY A  65
GLU A  85
ASP A 111
 None
ACT  A 402 (-3.4A)
None
ACT  A 402 (-2.9A)
None
 0.61A 3dxyA-4gc5A:
9.2		 3dxyA-4gc5A:
21.50
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A 358
GLY A 360
ILE A 380
ASP A 397
ALA A 398
 AMP  A 602 (-3.6A)
AMP  A 602 (-3.4A)
None
AMP  A 602 (-3.1A)
AMP  A 602 (-3.7A)
 0.96A 3dxyA-4gvlA:
6.5		 3dxyA-4gvlA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
ILE A 253
ASP A 281
ALA A 282
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-3.5A)
SAH  A 501 (-3.6A)
 0.66A 3dxyA-4ineA:
12.7		 3dxyA-4ineA:
17.47
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 GLU A  48
GLY A  50
GLY A  52
GLU A  72
ALA A  98
 None
 0.70A 3dxyA-4jxjA:
10.5		 3dxyA-4jxjA:
18.48
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 GLU A  48
GLY A  50
GLY A  52
ILE A  71
GLU A  72
 None
 0.59A 3dxyA-4jxjA:
10.5		 3dxyA-4jxjA:
18.48
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.
4l7v PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Vibrio cholerae) 		PF01135
(PCMT) 		5 GLU A  81
GLY A  83
GLY A  85
GLU A 104
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 (-4.0A)
 0.58A 3dxyA-4l7vA:
8.3		 3dxyA-4l7vA:
26.19
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.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		5 GLY A 183
GLY A 221
ILE A 218
ALA A 181
PHE A 131
 None
 1.02A 3dxyA-4m0vA:
undetectable		 3dxyA-4m0vA:
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.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		6 GLU A  78
GLY A  80
GLY A  82
ILE A 103
GLU A 104
ASP A 132
 SAH  A 500 (-4.3A)
SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
None
SAH  A 500 (-2.8A)
SAH  A 500 (-4.0A)
 0.61A 3dxyA-4o29A:
8.2		 3dxyA-4o29A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oon PENICILLIN-BINDING
PROTEIN 1A

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		6 GLU A 258
GLY A  55
ILE A  58
VAL A 291
ALA A 261
ASP A 294
 None
 1.20A 3dxyA-4oonA:
undetectable		 3dxyA-4oonA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLU A  62
GLY A  64
ILE A  87
GLU A  88
ALA A 117
 SAM  A 301 ( 4.4A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-2.6A)
SAM  A 301 (-3.3A)
 0.62A 3dxyA-4pclA:
12.4		 3dxyA-4pclA:
23.32
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		5 GLY A  80
GLY A  82
ILE A 101
VAL A 103
ASP A 130
 SAH  A 301 (-2.7A)
SAH  A 301 (-2.9A)
SAH  A 301 ( 4.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.7A)
 0.60A 3dxyA-4pneA:
12.4		 3dxyA-4pneA:
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		5 GLY A  80
GLY A  82
VAL A 103
ASP A 130
ALA A 131
 SAH  A 301 (-2.7A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.5A)
 0.70A 3dxyA-4pneA:
12.4		 3dxyA-4pneA:
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 126
GLU A 147
ASP A 178
ALA A 179
 MTA  A 401 (-3.5A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
 0.52A 3dxyA-4uoeA:
10.8		 3dxyA-4uoeA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 GLU A  84
GLY A  86
GLY A  88
VAL A 114
ASP A 141
 SAH  A 801 ( 4.6A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.1A)
SAH  A 801 (-3.7A)
 0.60A 3dxyA-4uy6A:
10.9		 3dxyA-4uy6A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynz SERINE/THREONINE-PRO
TEIN KINASE BRSK2

(Mus musculus) 		PF00069
(Pkinase) 		5 GLY A  32
GLY A  29
ILE A  50
VAL A  34
ASP A 160
 None
 0.88A 3dxyA-4ynzA:
undetectable		 3dxyA-4ynzA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 GLY A  45
GLY A  47
ILE A  66
ASP A  95
ALA A  96
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.5A)
None
SAH  A 301 (-3.3A)
SAH  A 301 (-3.4A)
 0.68A 3dxyA-5bp7A:
10.3		 3dxyA-5bp7A:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		5 GLY A  31
GLY A  33
ILE A  52
GLU A  53
ASP A  81
 SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
None
SAH  A 201 (-2.8A)
SAH  A 201 (-3.6A)
 0.63A 3dxyA-5bxyA:
11.6		 3dxyA-5bxyA:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		6 GLU A 109
GLY A 111
GLY A 113
GLU A 135
HIS A 137
ASP A 163
 None
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-2.2A)
None
SAH  A 301 (-2.7A)
 1.04A 3dxyA-5ccxA:
13.6		 3dxyA-5ccxA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
ASP A 222
PHE A 131
 None
None
None
None
5F7  A 401 (-4.4A)
 0.97A 3dxyA-5dtrA:
9.4		 3dxyA-5dtrA:
19.83
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ILE A  65
ASP A  94
ALA A  95
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.5A)
SAH  A 301 (-3.6A)
 0.71A 3dxyA-5epeA:
9.2		 3dxyA-5epeA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  23
ILE A  46
GLU A  47
HIS A  51
ASP A 233
 FAD  A 501 (-3.1A)
None
FAD  A 501 (-2.7A)
None
FAD  A 501 (-3.6A)
 0.97A 3dxyA-5eqdA:
3.9		 3dxyA-5eqdA:
20.50
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.
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)
 0.84A 3dxyA-5ergB:
11.1		 3dxyA-5ergB:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLY A  85
GLY A  87
VAL A 108
ASP A 135
ALA A 136
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
 0.73A 3dxyA-5gm2A:
11.8		 3dxyA-5gm2A:
21.82
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 GLY A 197
ILE A 215
ASP A   8
ALA A   9
PHE A  82
 SAM  A 301 (-3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.2A)
None
 0.91A 3dxyA-5hfjA:
4.5		 3dxyA-5hfjA:
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 GLY A 197
ILE A 215
GLU A 216
ASP A   8
ALA A   9
 SAM  A 301 (-3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.2A)
 0.69A 3dxyA-5hfjA:
4.5		 3dxyA-5hfjA:
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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		5 GLY A 187
GLY A 189
GLU A 210
ASP A 237
PHE A 253
 SAH  A 401 (-3.9A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.7A)
4MU  A 402 ( 4.1A)
 0.46A 3dxyA-5jr3A:
10.7		 3dxyA-5jr3A:
19.89
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLU A  63
GLY A  65
ILE A  88
GLU A  89
ALA A 118
 SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
SAM  A 306 ( 4.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-3.5A)
 0.55A 3dxyA-5n5dA:
12.6		 3dxyA-5n5dA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ti8 AMINOTRANSFERASE

(Pseudomonas sp.
M1) 		PF00202
(Aminotran_3) 		5 GLU A 336
ILE A 338
GLU A 343
ASP A 107
ALA A 104
 None
 1.00A 3dxyA-5ti8A:
undetectable		 3dxyA-5ti8A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wut ULAM111

(Flavobacterium
sp.) 		no annotation 5 GLU A  40
GLY A 209
GLY A 213
ILE A 208
ASP A 219
 None
 1.02A 3dxyA-5wutA:
undetectable		 3dxyA-5wutA:
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 GLY C 210
ILE C 229
GLU C 230
ASP C 471
ALA C 472
 None
 0.60A 3dxyA-5x6xC:
4.2		 3dxyA-5x6xC:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLU A  64
GLY A  66
GLY A  68
ILE A  89
ALA A 120
 SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.5A)
 0.44A 3dxyA-5x7fA:
13.7		 3dxyA-5x7fA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLU A  64
GLY A  66
GLY A  68
ILE A  89
ASP A 140
 SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
None
SAM  A 301 ( 3.8A)
 0.91A 3dxyA-5x7fA:
13.7		 3dxyA-5x7fA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yf0 -

(-) 		no annotation 5 GLY A 208
GLY A 210
GLU A 229
ASP A 295
PHE A 313
 SAM  A 505 (-3.3A)
SAM  A 505 ( 3.9A)
SAM  A 505 (-2.9A)
SAM  A 505 (-3.6A)
None
 0.71A 3dxyA-5yf0A:
11.9		 3dxyA-5yf0A:
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 6 GLU A  60
GLY A  62
ILE A  84
GLU A  85
ASP A 113
ALA A 114
 SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 ( 4.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.7A)
 0.59A 3dxyA-5zw4A:
12.7		 3dxyA-5zw4A:
undetectable