SIMILAR PATTERNS OF AMINO ACIDS FOR 4IV8_B_SAMB301

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		7 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASP A  68
ALA A  96
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 ( 4.3A)
None
 1.33A 4iv8B-1ahiA:
6.7		 4iv8B-1ahiA:
20.81
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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		7 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASP A  68
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
None
 0.96A 4iv8B-1ahiA:
6.7		 4iv8B-1ahiA:
20.81
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 GLY A  63
GLY A  65
ASP A  84
ILE A  85
ASP A 113
 None
 0.31A 4iv8B-1dusA:
15.0		 4iv8B-1dusA:
23.37
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.
1im8 YECO

(Haemophilus
influenzae) 		PF13649
(Methyltransf_25) 		6 GLY A  63
ASP A  88
MET A  93
ASP A 116
ILE A 117
LEU A 137
 SAI  A 302 (-3.8A)
SAI  A 302 (-2.8A)
SAI  A 302 (-4.1A)
SAI  A 302 (-3.1A)
SAI  A 302 (-4.1A)
None
 0.87A 4iv8B-1im8A:
18.1		 4iv8B-1im8A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  86
ASP A 107
ILE A 108
ASP A 138
 None
 0.50A 4iv8B-1iy9A:
11.5		 4iv8B-1iy9A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kr5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01135
(PCMT) 		5 GLY A  85
GLY A  87
ASP A 109
ASP A 141
ALA A 159
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.6A)
SAH  A 300 (-2.9A)
SAH  A 300 (-3.7A)
SAH  A 300 ( 3.8A)
 0.66A 4iv8B-1kr5A:
9.9		 4iv8B-1kr5A:
23.41
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 GLY A  56
GLY A  58
ASP A  78
ILE A  79
ASP A 100
 None
 0.32A 4iv8B-1ne2A:
14.6		 4iv8B-1ne2A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ASP A  66
ASP A  94
ALA A 112
 None
 0.57A 4iv8B-1nkvA:
18.2		 4iv8B-1nkvA:
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A  10
GLY A  12
ASP A  39
ILE A  40
ALA A  85
 NAD  A 500 (-3.5A)
NAD  A 500 (-3.0A)
NAD  A 500 (-2.7A)
NAD  A 500 (-3.9A)
NAD  A 500 (-3.5A)
 0.69A 4iv8B-1obbA:
3.8		 4iv8B-1obbA:
20.82
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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		5 GLY A  72
GLY A  74
ASP A  94
ILE A  95
ASP A 122
 SAH  A 299 (-3.3A)
SAH  A 299 (-3.5A)
SAH  A 299 (-2.9A)
SAH  A 299 (-3.8A)
SAH  A 299 (-3.2A)
 0.25A 4iv8B-1ri3A:
15.6		 4iv8B-1ri3A:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		6 GLY A  48
ASP A  67
ILE A  68
MET A  72
ASP A  93
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-2.8A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.8A)
 0.83A 4iv8B-1ve3A:
19.2		 4iv8B-1ve3A:
26.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wv2 THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Pseudomonas
aeruginosa) 		PF05690
(ThiG) 		6 GLY A1172
GLY A1197
ASP A1201
ILE A1204
ALA A1164
LEU A1179
 None
 1.44A 4iv8B-1wv2A:
undetectable		 4iv8B-1wv2A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xxl YCGJ PROTEIN

(Bacillus
subtilis) 		PF08241
(Methyltransf_11) 		6 GLY A  20
ASP A  41
MET A  46
ARG A  85
ALA A  87
HIS A  90
 None
None
None
SO4  A 402 (-3.3A)
None
None
 0.88A 4iv8B-1xxlA:
18.9		 4iv8B-1xxlA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xxl YCGJ PROTEIN

(Bacillus
subtilis) 		PF08241
(Methyltransf_11) 		6 GLY A  20
GLY A  22
ASP A  41
MET A  46
ALA A  87
HIS A  90
 None
 0.76A 4iv8B-1xxlA:
18.9		 4iv8B-1xxlA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb1 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE
TYPE XI

(Homo sapiens) 		PF00106
(adh_short) 		6 GLY A  38
GLY A  40
ASP A  62
ILE A  63
ASP A  88
ALA A 116
 CL  A 402 ( 3.7A)
None
CL  A 402 (-3.6A)
CL  A 405 (-4.0A)
CL  A 405 ( 4.9A)
CL  A 402 ( 4.1A)
 0.99A 4iv8B-1yb1A:
6.7		 4iv8B-1yb1A:
25.85
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		6 GLY A 322
ASP A 347
ILE A 348
ASP A 368
ILE A 369
LEU A 408
 ATP  A1001 ( 3.9A)
ATP  A1001 (-2.3A)
ATP  A1001 (-4.5A)
ATP  A1001 (-3.3A)
ATP  A1001 (-4.3A)
ATP  A1001 ( 4.9A)
 0.89A 4iv8B-1z7eA:
6.1		 4iv8B-1z7eA:
15.68
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.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  63
GLY A  65
ASP A  85
ASP A 142
ALA A 165
 SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.4A)
 0.70A 4iv8B-2a14A:
15.5		 4iv8B-2a14A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		6 GLY A 208
GLY A 121
ASP A 270
ILE A 161
ALA A 202
LEU A 198
 None
 1.34A 4iv8B-2bxyA:
undetectable		 4iv8B-2bxyA:
16.23
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		6 GLY A  53
ASP A  76
ILE A  77
ALA A 320
HIS A 324
LEU A 328
 FAD  A1625 (-3.4A)
FAD  A1625 (-2.9A)
FAD  A1625 (-3.9A)
FAD  A1625 (-3.6A)
FAD  A1625 (-4.1A)
None
 1.10A 4iv8B-2f5vA:
undetectable		 4iv8B-2f5vA:
17.36
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ASP A 110
ILE A 111
ASP A 135
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
SAM  A 400 (-3.4A)
 0.48A 4iv8B-2qe6A:
14.1		 4iv8B-2qe6A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		6 GLY A 325
GLY A 313
ILE A 310
ALA A 324
HIS A 309
LEU A 170
 None
 1.28A 4iv8B-2qgmA:
undetectable		 4iv8B-2qgmA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  85
GLY A  87
ASP A 108
ILE A 109
ASP A 140
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.3A)
 0.78A 4iv8B-3anxA:
11.8		 4iv8B-3anxA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		6 GLY A   7
GLY A  10
ASP A  31
ILE A  32
ASP A  47
ALA A  66
 NAD  A 901 (-3.5A)
NAD  A 901 (-3.2A)
NAD  A 901 (-2.9A)
NAD  A 901 (-3.9A)
NAD  A 901 (-3.8A)
NAD  A 901 (-3.8A)
 1.35A 4iv8B-3aw9A:
5.7		 4iv8B-3aw9A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  52
ASP A  72
MET A  77
ASP A  96
ALA A 115
 None
 0.41A 4iv8B-3bkwA:
18.9		 4iv8B-3bkwA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  46
GLY A  48
ASP A  67
MET A  72
ASP A  89
 None
 0.60A 4iv8B-3ccfA:
18.5		 4iv8B-3ccfA:
25.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		6 GLY A  40
GLY A  42
ASP A  60
MET A  65
ASP A  86
LEU A 109
 None
 0.66A 4iv8B-3d2lA:
17.9		 4iv8B-3d2lA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
ASP A  72
MET A  77
ASP A 100
 SAM  A 220 (-3.5A)
SAM  A 220 (-3.2A)
SAM  A 220 (-2.9A)
SAM  A 220 ( 3.8A)
SAM  A 220 (-3.2A)
 0.67A 4iv8B-3dlcA:
16.3		 4iv8B-3dlcA:
23.71
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 GLY A 290
GLY A 292
ASP A 311
ILE A 312
ASP A 330
 None
 0.49A 4iv8B-3dliA:
18.7		 4iv8B-3dliA:
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 GLY A 290
GLY A 292
ASP A 311
ILE A 312
MET A 316
 None
 0.66A 4iv8B-3dliA:
18.7		 4iv8B-3dliA:
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		7 GLY A  50
GLY A  52
ASP A  73
MET A  78
ASP A  98
HIS A 119
LEU A 120
 None
 0.77A 4iv8B-3dtnA:
19.3		 4iv8B-3dtnA:
27.40
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		5 GLY A  50
GLY A  52
ASP A  72
MET A  77
ALA A 115
 None
 0.31A 4iv8B-3g5lA:
18.6		 4iv8B-3g5lA:
26.06
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		6 GLY A  50
GLY A  52
ASP A  72
MET A  77
ILE A  97
LEU A 116
 None
 1.42A 4iv8B-3g5lA:
18.6		 4iv8B-3g5lA:
26.06
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.
3ged SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Ruminiclostridium
thermocellum) 		PF13561
(adh_short_C2) 		5 GLY A   9
GLY A  11
ASP A  33
ILE A  34
ASP A  55
 THJ  A 249 (-3.4A)
None
None
THJ  A 249 (-4.5A)
None
 0.49A 4iv8B-3gedA:
7.2		 4iv8B-3gedA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 GLY A  36
GLY A  38
ASP A  60
ILE A  61
ASP A  83
ALA A 111
 None
 1.04A 4iv8B-3gvcA:
6.6		 4iv8B-3gvcA:
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		6 GLY A  53
GLY A  55
MET A  79
ALA A 115
HIS A 118
LEU A 119
 None
 0.62A 4iv8B-3hnrA:
16.1		 4iv8B-3hnrA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A  55
MET A  79
ASP A  97
ALA A 115
HIS A 118
LEU A 119
 None
 0.86A 4iv8B-3hnrA:
16.1		 4iv8B-3hnrA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ASP A  82
ILE A  83
ASP A 106
 None
 0.44A 4iv8B-3l8dA:
16.1		 4iv8B-3l8dA:
27.02
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.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ASP A  82
ILE A  83
MET A  87
 None
 0.69A 4iv8B-3l8dA:
16.1		 4iv8B-3l8dA:
27.02
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		5 GLY A  74
GLY A  76
ASP A  95
ILE A  96
ASP A 123
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.5A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.8A)
 0.56A 4iv8B-3lccA:
16.4		 4iv8B-3lccA:
24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
ILE A 126
ASP A 153
ILE A 154
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.3A)
 0.64A 4iv8B-3lgaA:
14.2		 4iv8B-3lgaA:
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.
3o31 THERMONICOTIANAMINE
SYNTHASE

(Methanothermobacter
thermautotrophicus) 		PF03059
(NAS) 		6 GLY A 130
GLY A 132
ILE A 154
ASP A 180
ARG A 221
ALA A 198
 None
None
None
None
3O3  A   1 (-4.0A)
None
 1.30A 4iv8B-3o31A:
12.2		 4iv8B-3o31A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		6 GLY A  39
GLY A  42
ASP A  64
ILE A  65
ASP A  94
ILE A  95
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.1A)
NAD  A 501 (-2.6A)
NAD  A 501 (-4.2A)
NAD  A 501 (-3.3A)
NAD  A 501 (-3.9A)
 1.06A 4iv8B-3pvzA:
5.8		 4iv8B-3pvzA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 GLY A  12
GLY A  14
ASP A  36
ILE A  37
ASP A  62
ALA A  90
 None
 1.11A 4iv8B-3qivA:
6.6		 4iv8B-3qivA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ILE A  39
ASP A  61
ILE A  62
 NAD  A 251 (-3.4A)
NAD  A 251 (-2.7A)
NAD  A 251 (-3.8A)
NAD  A 251 (-3.8A)
NAD  A 251 (-3.9A)
 0.64A 4iv8B-3rwbA:
7.0		 4iv8B-3rwbA:
21.21
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		6 GLY A 254
GLY A 256
ILE A 303
ILE A 288
ALA A 324
LEU A 322
 None
 1.45A 4iv8B-3w3aA:
undetectable		 4iv8B-3w3aA:
18.34
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 GLY A 187
GLY A 189
ASP A 210
ILE A 211
ASP A 236
ARG A 252
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-2.9A)
SAM  A1349 (-4.6A)
SAM  A1349 (-3.5A)
SAM  A1349 ( 3.8A)
 1.15A 4iv8B-4a6eA:
16.0		 4iv8B-4a6eA:
21.70
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		7 GLY A 232
GLY A 234
ASP A 254
MET A 259
ASP A 281
ARG A 298
HIS A 303
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-2.6A)
SAH  A 501 (-3.9A)
SAH  A 501 (-3.5A)
None
SAH  A 501 (-4.0A)
 0.73A 4iv8B-4ineA:
33.1		 4iv8B-4ineA:
26.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		6 GLY A  61
GLY A  63
ASP A  83
CYH A  85
MET A  88
LEU A 129
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
 1.47A 4iv8B-4iv8A:
42.5		 4iv8B-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		12 GLY A  61
GLY A  63
ASP A  83
ILE A  84
CYH A  85
MET A  88
ASP A 108
ILE A 109
ARG A 125
ALA A 127
HIS A 130
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
None
 0.09A 4iv8B-4iv8A:
42.5		 4iv8B-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		6 GLY A  61
GLY A  63
ASP A  83
MET A  88
ARG A 125
LEU A 139
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.3A)
None
None
 1.04A 4iv8B-4iv8A:
42.5		 4iv8B-4iv8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		8 GLY A  63
ASP A  83
CYH A  85
MET A  88
ILE A  60
ALA A 127
HIS A 130
LEU A 131
 SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
None
 1.17A 4iv8B-4iv8A:
42.5		 4iv8B-4iv8A:
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.
4iwn TRNA
(CMO5U34)-METHYLTRAN
SFERASE

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		6 GLY A  64
ASP A  89
MET A  94
ASP A 117
ILE A 118
LEU A 138
 GEK  A 301 (-3.6A)
GEK  A 301 (-2.8A)
GEK  A 301 ( 4.1A)
GEK  A 301 (-3.2A)
GEK  A 301 (-3.7A)
None
 0.96A 4iv8B-4iwnA:
18.3		 4iv8B-4iwnA:
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A  59
GLY A  61
ASP A  80
ASP A 105
LEU A 128
 SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.5A)
SAH  A 502 (-3.0A)
None
 0.42A 4iv8B-4krgA:
16.5		 4iv8B-4krgA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 GLY A 228
GLY A 230
ASP A 250
ASP A 277
ARG A 294
LEU A 306
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.4A)
None
None
 1.22A 4iv8B-4kriA:
33.2		 4iv8B-4kriA:
23.04
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		7 GLY A 228
GLY A 230
ASP A 250
MET A 255
ASP A 277
ARG A 294
HIS A 299
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
None
SAH  A 701 (-4.2A)
 0.73A 4iv8B-4kriA:
33.2		 4iv8B-4kriA:
23.04
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.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		6 GLY A 166
GLY A 168
ASP A 189
ILE A 190
ASP A 217
ARG A 172
 SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-2.7A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-3.8A)
 0.93A 4iv8B-4m73A:
15.3		 4iv8B-4m73A:
19.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		7 GLY A  60
GLY A  62
ASP A  82
CYH A  84
MET A  87
ARG A 124
LEU A 138
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
None
 1.00A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		11 GLY A  60
GLY A  62
ASP A  82
ILE A  83
CYH A  84
MET A  87
ASP A 107
ILE A 108
ARG A 124
HIS A 129
LEU A 130
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.9A)
None
 0.35A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		7 GLY A  62
ASP A  82
CYH A  84
MET A  87
ILE A  59
HIS A 129
LEU A 130
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
SAM  A 301 (-3.9A)
None
 1.17A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		6 GLY A  62
ASP A  82
ILE A  83
CYH A  84
MET A  87
LEU A 109
 SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
 1.28A 4iv8B-4mwzA:
36.4		 4iv8B-4mwzA:
87.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		5 GLY A  80
GLY A  82
ILE A 105
ASP A 132
ALA A 150
 SAH  A 500 (-3.1A)
SAH  A 500 (-3.3A)
SAH  A 500 (-3.7A)
SAH  A 500 (-4.0A)
SAH  A 500 ( 4.5A)
 0.70A 4iv8B-4o29A:
10.2		 4iv8B-4o29A:
20.81
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		6 GLY A  70
GLY A  72
ASP A  91
ILE A  92
MET A  96
ASP A 120
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.8A)
 0.65A 4iv8B-4qdkA:
16.6		 4iv8B-4qdkA:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		5 GLY A 130
GLY A 132
ASP A 152
ILE A 181
HIS A 201
 None
None
None
SO4  A 402 (-4.0A)
None
 0.59A 4iv8B-4qnxA:
18.5		 4iv8B-4qnxA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		7 GLY B  55
GLY B  57
ASP B  77
ILE B  78
ASP B  99
ALA B 119
LEU B 123
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.5A)
CSO  B 124 ( 4.4A)
 0.47A 4iv8B-4qtuB:
18.3		 4iv8B-4qtuB:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		7 GLY B  55
GLY B  57
ASP B  77
ILE B  78
MET B  82
ASP B  99
ALA B 119
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-4.4A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.5A)
 0.69A 4iv8B-4qtuB:
18.3		 4iv8B-4qtuB:
24.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		6 GLY A  63
GLY A  65
ASP A  85
CYH A  87
ARG A 127
LEU A 141
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.4A)
None
None
 0.93A 4iv8B-4r6wA:
35.0		 4iv8B-4r6wA:
60.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		7 GLY A  63
GLY A  65
ASP A  85
CYH A  87
ILE A 111
ARG A 127
ALA A 129
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.4A)
SAH  A 302 (-4.1A)
None
SAH  A 302 (-3.3A)
 0.82A 4iv8B-4r6wA:
35.0		 4iv8B-4r6wA:
60.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		10 GLY A  63
GLY A  65
ASP A  85
ILE A  86
ASP A 110
ILE A 111
ARG A 127
ALA A 129
HIS A 132
LEU A 133
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-4.1A)
None
SAH  A 302 (-3.3A)
SAH  A 302 (-4.3A)
None
 0.42A 4iv8B-4r6wA:
35.0		 4iv8B-4r6wA:
60.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  14
ASP A  36
ILE A  37
ASP A  62
 None
 0.48A 4iv8B-4ureA:
7.2		 4iv8B-4ureA:
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		6 GLY A  13
GLY A  15
ASP A  38
ILE A  39
ASP A  64
ALA A  92
 NAI  A 500 (-3.4A)
NAI  A 500 ( 4.2A)
NAI  A 500 (-2.6A)
NAI  A 500 (-3.8A)
NAI  A 500 (-3.6A)
NAI  A 500 ( 4.1A)
 0.76A 4iv8B-4yacA:
7.6		 4iv8B-4yacA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF13847
(Methyltransf_31) 		5 GLY A  45
GLY A  47
ASP A  67
ASP A  95
ALA A 113
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.3A)
SAH  A 301 ( 3.7A)
 0.47A 4iv8B-5bp7A:
19.0		 4iv8B-5bp7A:
24.66
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.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 GLY A  67
GLY A  69
ASP A  90
ASP A 112
ILE A 113
 SAH  A 300 (-3.6A)
SAH  A 300 ( 3.7A)
SAH  A 300 (-2.8A)
SAH  A 300 (-2.9A)
SAH  A 300 (-4.5A)
 0.51A 4iv8B-5dm4A:
16.1		 4iv8B-5dm4A:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		6 GLY A  69
GLY A  71
ASP A  91
ILE A  92
HIS A 140
LEU A 141
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.8A)
None
 0.39A 4iv8B-5e1bA:
17.6		 4iv8B-5e1bA:
31.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 GLY A 189
ASP A 208
ILE A 209
MET A 213
ASP A 235
LEU A 271
 SAM  A 400 (-3.3A)
SAM  A 400 (-2.8A)
SAM  A 400 (-3.9A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.4A)
None
 0.81A 4iv8B-5e72A:
14.4		 4iv8B-5e72A:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9j MRNA CAP GUANINE-N7
METHYLTRANSFERASE,MR
NA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 GLY A 205
GLY A 207
ASP A 227
ILE A 228
ASP A 261
 SAH  A 501 (-3.4A)
SAH  A 501 (-3.4A)
SAH  A 501 (-2.5A)
SAH  A 501 (-3.8A)
SAH  A 501 (-3.5A)
 0.38A 4iv8B-5e9jA:
16.0		 4iv8B-5e9jA:
25.00
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.
5e9w MRNA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 GLY A 205
GLY A 207
ASP A 227
ILE A 228
ASP A 261
 SAH  A 500 (-3.8A)
SAH  A 500 (-3.5A)
SAH  A 500 (-2.8A)
SAH  A 500 (-3.7A)
SAH  A 500 (-3.6A)
 0.35A 4iv8B-5e9wA:
16.0		 4iv8B-5e9wA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		6 GLY A  16
GLY A  18
ASP A  40
ASP A  62
ALA A  90
LEU A 113
 NAD  A 301 (-3.2A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
NAD  A 301 (-3.4A)
NAD  A 301 ( 3.8A)
NAD  A 301 (-4.5A)
 1.29A 4iv8B-5en4A:
6.0		 4iv8B-5en4A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ASP A  66
ASP A  94
ALA A 112
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 3.7A)
 0.37A 4iv8B-5epeA:
17.3		 4iv8B-5epeA:
21.71
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		6 GLY A  69
ASP A  88
MET A  93
ASP A 114
HIS A 138
LEU A 139
 SAH  A 301 (-3.3A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.7A)
SAH  A 301 (-4.4A)
None
 0.97A 4iv8B-5h02A:
17.7		 4iv8B-5h02A:
29.68
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		6 GLY A  21
GLY A  23
ASP A  45
ILE A  46
ASP A  71
ALA A  99
 None
 0.92A 4iv8B-5ha5A:
7.1		 4iv8B-5ha5A:
20.41
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.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 GLY A  14
ASP A  38
ILE A  39
ASP A  62
ILE A  63
 None
 0.68A 4iv8B-5itwA:
7.3		 4iv8B-5itwA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 GLY A  49
ASP A  69
ILE A  70
MET A  74
ASP A  95
 SAH  A 301 (-3.6A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.7A)
SAH  A 301 ( 4.5A)
SAH  A 301 (-3.7A)
 0.61A 4iv8B-5je3A:
17.4		 4iv8B-5je3A:
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		6 GLY A  49
ASP A  70
ASP A  96
ARG A 116
ALA A 118
LEU A 122
 SAH  A 301 (-3.3A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.5A)
 0.81A 4iv8B-5m58A:
17.5		 4iv8B-5m58A:
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		6 GLY A  49
ASP A  70
MET A  75
ASP A  96
ARG A 116
ALA A 118
 SAH  A 301 (-3.4A)
SAH  A 301 (-2.8A)
SAH  A 301 (-4.0A)
SAH  A 301 (-3.5A)
SAH  A 301 ( 3.9A)
SAH  A 301 (-3.5A)
 0.91A 4iv8B-5mgzA:
17.4		 4iv8B-5mgzA:
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.
5thz CURJ

(Moorea
producens) 		no annotation 6 GLY B 205
GLY B 207
ASP B 230
ILE B 231
ASP B 255
ILE B 256
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
SAH  B 501 (-2.7A)
SAH  B 501 (-3.7A)
SAH  B 501 (-3.9A)
SAH  B 501 (-4.3A)
 0.80A 4iv8B-5thzB:
16.0		 4iv8B-5thzB:
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 5 GLY A  56
ASP A  82
ILE A  83
ASP A 109
ALA A 128
 SAH  A 301 (-3.4A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.9A)
 0.62A 4iv8B-5w7kA:
18.8		 4iv8B-5w7kA:
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 5 GLY A  56
ASP A  82
ILE A  83
ASP A 109
ALA A 128
 SAH  A 301 (-3.3A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.5A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 3.9A)
 0.53A 4iv8B-5w7mA:
18.7		 4iv8B-5w7mA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A  82
ASP A 107
LEU A 132
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.9A)
SAH  A 701 (-3.2A)
None
 0.35A 4iv8B-5wp4A:
33.5		 4iv8B-5wp4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 GLY A 290
GLY A 292
ASP A 312
ASP A 338
ARG A 355
LEU A 367
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.3A)
None
None
 1.14A 4iv8B-5wp4A:
33.5		 4iv8B-5wp4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 7 GLY A 290
GLY A 292
ASP A 312
MET A 317
ASP A 338
ARG A 355
HIS A 360
 SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-2.6A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
None
SAH  A 703 (-4.0A)
 0.54A 4iv8B-5wp4A:
33.5		 4iv8B-5wp4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A  82
ASP A 107
LEU A 132
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-2.9A)
SAH  A 502 (-3.2A)
None
 0.35A 4iv8B-5wp5A:
30.9		 4iv8B-5wp5A:
25.51
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 7 GLY A 290
GLY A 292
ASP A 312
MET A 317
ASP A 338
ARG A 355
HIS A 360
 SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-2.8A)
SAH  A 501 (-4.0A)
SAH  A 501 (-3.4A)
None
SAH  A 501 (-4.0A)
 0.47A 4iv8B-5wp5A:
30.9		 4iv8B-5wp5A:
25.51
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 5 GLY A  25
GLY A  27
ASP A  48
ILE A  49
LEU A 107
 SAM  A 800 (-3.6A)
SAM  A 800 (-3.5A)
SAM  A 800 (-2.8A)
SAM  A 800 (-4.0A)
None
 0.61A 4iv8B-5wy0A:
13.7		 4iv8B-5wy0A:
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 GLY A  66
GLY A  68
ASP A  90
ILE A  91
ALA A 139
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.5A)
 0.61A 4iv8B-5x7fA:
13.3		 4iv8B-5x7fA:
25.00
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.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 5 GLY A  13
GLY A  15
ASP A  37
ILE A  38
ASP A  63
 None
 0.44A 4iv8B-5x8hA:
7.1		 4iv8B-5x8hA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9u DNA GYRASE, SUBUNIT
B:SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		no annotation 5 GLY A  13
GLY A  15
ASP A  37
ASP A  60
ILE A  61
 NAI  A 301 (-3.1A)
NAI  A 301 ( 4.3A)
NAI  A 301 (-2.8A)
NAI  A 301 (-3.4A)
NAI  A 301 (-3.9A)
 0.61A 4iv8B-6b9uA:
6.5		 4iv8B-6b9uA:
21.68
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 6 GLY A 837
GLY A 839
ASP A 864
ILE A 865
ASP A 889
ILE A 890
 SAH  A1102 (-3.5A)
SAH  A1102 (-3.4A)
SAH  A1102 (-2.4A)
SAH  A1102 (-3.6A)
SAH  A1102 (-3.5A)
SAH  A1102 (-4.4A)
 0.96A 4iv8B-6d6yA:
15.3		 4iv8B-6d6yA:
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.
6dub -

(-) 		no annotation 5 GLY A 124
GLY A 126
ASP A 146
HIS A 195
LEU A 196
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.0A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.9A)
None
 0.39A 4iv8B-6dubA:
17.0		 4iv8B-6dubA:
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 6 GLY A  46
GLY A  48
ASP A  69
MET A  74
ASP A  93
ALA A 112
 SAH  A 301 (-3.5A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
 0.65A 4iv8B-6f5zA:
20.2		 4iv8B-6f5zA:
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.
6fdf TRNA
(CYTOSINE(38)-C(5))-
METHYLTRANSFERASE

(Schizosaccharomyces
pombe) 		no annotation 5 GLY A  15
ASP A  37
ILE A  38
ASP A  58
ILE A  59
 SAH  A 401 (-3.4A)
SAH  A 401 (-2.7A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-3.8A)
SAH  A 401 (-3.7A)
 0.46A 4iv8B-6fdfA:
8.6		 4iv8B-6fdfA:
undetectable