SIMILAR PATTERNS OF AMINO ACIDS FOR 5WY0_A_SAMA800_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Escherichia
coli) 		PF13561
(adh_short_C2) 		7 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASN A  44
ILE A  23
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
NAI  A 302 (-4.0A)
None
 1.15A 5wy0A-1ahiA:
2.5		 5wy0A-1ahiA:
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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		6 GLY A  18
GLY A  20
ASP A  42
ILE A  43
ASN A  44
ILE A  27
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-2.6A)
NAI  A 302 (-4.0A)
None
None
 1.15A 5wy0A-1ahiA:
2.5		 5wy0A-1ahiA:
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 GLY A  63
GLY A  65
ASP A  84
ILE A  85
ASN A  86
ILE A  69
 None
 1.29A 5wy0A-1dusA:
11.5		 5wy0A-1dusA:
20.09
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.
1e3e ALCOHOL
DEHYDROGENASE, CLASS
II

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 203
ASP A 227
ILE A 228
ASN A 229
LYS A 232
 NAI  A 377 (-3.4A)
NAI  A 377 (-3.0A)
NAI  A 377 ( 4.2A)
None
NAI  A 377 ( 4.5A)
 0.67A 5wy0A-1e3eA:
undetectable		 5wy0A-1e3eA:
21.01
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.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 198
ASP A 222
ILE A 223
ASN A 224
LYS A 227
 NAD  A1100 (-3.7A)
NAD  A1100 (-2.9A)
NAD  A1100 (-4.0A)
None
NAD  A1100 (-4.4A)
 0.73A 5wy0A-1ee2A:
undetectable		 5wy0A-1ee2A:
21.39
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 GLY A   9
GLY A  11
ASP A  33
ASN A  35
ILE A  14
 NAD  A2001 (-3.5A)
NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.9A)
 0.69A 5wy0A-1gegA:
2.1		 5wy0A-1gegA:
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		5 GLY A   9
GLY A  11
ASP A  33
ASN A  35
VAL A  60
 NAD  A2001 (-3.5A)
NAD  A2001 ( 4.1A)
NAD  A2001 (-2.8A)
None
NAD  A2001 (-3.5A)
 0.64A 5wy0A-1gegA:
2.1		 5wy0A-1gegA:
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.
1gom ENDO-1,4-BETA-XYLANA
SE

(Thermoascus
aurantiacus) 		PF00331
(Glyco_hydro_10) 		6 GLY A  19
GLY A  41
LYS A  78
VAL A 266
ILE A  10
LEU A 283
 None
 1.32A 5wy0A-1gomA:
undetectable		 5wy0A-1gomA:
18.41
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.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 GLY A  16
GLY A  18
ASP A  40
SER A  75
VAL A  76
 NAI  A1306 (-3.6A)
NAI  A1306 ( 4.2A)
NAI  A1306 (-2.8A)
NAI  A1306 (-3.2A)
NAI  A1306 (-3.6A)
 0.49A 5wy0A-1gz6A:
2.6		 5wy0A-1gz6A:
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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 GLY A  72
GLY A  74
ASP A 148
ILE A 149
ASN A 150
 NAD  A 900 (-3.3A)
NAD  A 900 (-4.0A)
NAD  A 900 (-3.0A)
NAD  A 900 (-3.9A)
None
 0.53A 5wy0A-1la2A:
3.0		 5wy0A-1la2A:
19.09
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		6 GLY A  25
GLY A 452
VAL A  41
ILE A  23
LEU A  26
LEU A 234
 None
None
None
FAD  A 652 (-4.8A)
None
None
 1.24A 5wy0A-1o5wA:
undetectable		 5wy0A-1o5wA:
18.37
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		6 GLY A  24
ASP A 198
ILE A 191
VAL A 189
ILE A 209
HIS A 179
 None
 1.37A 5wy0A-1poiA:
undetectable		 5wy0A-1poiA:
19.03
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.
1t70 PHOSPHATASE

(Deinococcus
radiodurans) 		PF13277
(YmdB) 		6 GLY A 198
ASN A 233
VAL A  34
LEU A  18
HIS A  21
LEU A  22
 None
 1.50A 5wy0A-1t70A:
undetectable		 5wy0A-1t70A:
20.55
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 GLY A 399
GLY A 401
ILE A 423
SER A 459
LEU A 487
 SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-3.7A)
SAH  A 801 (-3.2A)
SAH  A 801 ( 4.9A)
 0.52A 5wy0A-1u2zA:
8.0		 5wy0A-1u2zA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY A   7
GLY A   9
ASP A  36
ILE A  37
LYS A  41
 None
 0.67A 5wy0A-1up4A:
3.7		 5wy0A-1up4A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		5 GLY A   5
ILE A 214
ASN A 187
VAL A 159
LEU A 178
 None
 0.75A 5wy0A-1xfgA:
undetectable		 5wy0A-1xfgA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
ASN A  64
ILE A  43
 CL  A 402 ( 3.7A)
None
CL  A 402 (-3.6A)
CL  A 405 (-4.0A)
None
SO4  A 702 (-3.8A)
 0.86A 5wy0A-1yb1A:
5.2		 5wy0A-1yb1A:
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.
2ag5 DEHYDROGENASE/REDUCT
ASE (SDR FAMILY)
MEMBER 6

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ASP A  37
ILE A  38
ASN A  39
VAL A  59
LEU A 104
 NAD  A2001 (-2.9A)
NAD  A2001 (-3.9A)
None
NAD  A2001 (-3.8A)
NAD  A2001 (-4.6A)
 0.73A 5wy0A-2ag5A:
6.1		 5wy0A-2ag5A:
23.66
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 198
ASP A 222
ILE A 223
ASN A 224
LYS A 227
 NAD  A1377 (-3.6A)
NAD  A1377 (-2.9A)
NAD  A1377 (-4.0A)
None
NAD  A1377 ( 4.8A)
 0.68A 5wy0A-2fzwA:
undetectable		 5wy0A-2fzwA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o57 PUTATIVE SARCOSINE
DIMETHYLGLYCINE
METHYLTRANSFERASE

(Galdieria
sulphuraria) 		PF08241
(Methyltransf_11) 		5 GLY A  90
GLY A  92
ILE A 113
SER A 140
HIS A 162
 None
 0.70A 5wy0A-2o57A:
13.0		 5wy0A-2o57A:
22.01
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		5 GLY A  66
GLY A  68
ASP A  88
VAL A 114
LEU A 136
 SAH  A 301 (-3.8A)
SAH  A 301 ( 3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.6A)
None
 0.44A 5wy0A-2pxxA:
13.3		 5wy0A-2pxxA:
24.42
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.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		6 GLY A  94
ILE A  88
VAL A  86
ILE A  96
LEU A  95
LEU A  26
 None
 1.41A 5wy0A-2qdlA:
undetectable		 5wy0A-2qdlA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ASP A 110
ILE A 111
VAL A 136
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.7A)
SAM  A 400 (-3.8A)
 0.46A 5wy0A-2qe6A:
12.6		 5wy0A-2qe6A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ASP A 110
VAL A 136
LEU A 169
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.8A)
None
 0.70A 5wy0A-2qe6A:
12.6		 5wy0A-2qe6A:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xva TELLURITE RESISTANCE
PROTEIN TEHB

(Escherichia
coli) 		PF03848
(TehB) 		5 GLY A  38
GLY A  40
ASP A  59
ASN A  61
LEU A 108
 SFG  A1198 (-4.3A)
SFG  A1198 (-3.2A)
SFG  A1198 (-2.8A)
None
SFG  A1198 (-4.8A)
 0.52A 5wy0A-2xvaA:
14.0		 5wy0A-2xvaA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		6 GLY A  17
GLY A 440
VAL A  33
ILE A  15
LEU A  18
LEU A 225
 None
 1.29A 5wy0A-2yg6A:
undetectable		 5wy0A-2yg6A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		6 GLY A  25
GLY A 452
VAL A  41
ILE A  23
LEU A  26
LEU A 234
 None
None
None
FAD  A 600 (-4.9A)
None
None
 1.22A 5wy0A-2z5xA:
undetectable		 5wy0A-2z5xA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.3A)
MTA  A 315 (-3.7A)
None
MTA  A 315 (-4.3A)
 1.08A 5wy0A-3anxA:
11.1		 5wy0A-3anxA:
21.41
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.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		6 GLY A 205
ASP A 223
ILE A 224
ASN A 225
SER A 250
ILE A 263
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.6A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.9A)
None
None
 1.30A 5wy0A-3ay0A:
11.8		 5wy0A-3ay0A:
21.30
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.
3ay0 UNCHARACTERIZED
PROTEIN MJ0883

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		6 GLY A 205
ASP A 223
ILE A 224
ASN A 225
VAL A 252
ILE A 263
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.6A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.9A)
None
 1.00A 5wy0A-3ay0A:
11.8		 5wy0A-3ay0A:
21.30
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.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		6 GLY A 113
ASP A 131
ILE A 132
VAL A 158
LEU A 175
LEU A 179
 5GP  A 500 ( 4.5A)
5GP  A 500 (-3.1A)
5GP  A 500 (-4.1A)
5GP  A 500 (-3.6A)
5GP  A 500 ( 4.7A)
None
 0.92A 5wy0A-3b89A:
13.8		 5wy0A-3b89A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		5 GLY A 128
GLY A 130
ASP A 149
ILE A 150
LEU A 192
 SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 (-2.8A)
SAH  A 258 (-4.0A)
None
 0.63A 5wy0A-3cjtA:
11.4		 5wy0A-3cjtA:
23.19
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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		5 GLY A 128
GLY A 130
ASP A 149
ILE A 150
LEU A 196
 SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 (-2.8A)
SAH  A 258 (-4.0A)
SAH  A 258 (-4.6A)
 0.60A 5wy0A-3cjtA:
11.4		 5wy0A-3cjtA:
23.19
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.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 GLY A  93
ILE A  90
VAL A  56
LEU A  42
LEU A  46
 None
 0.69A 5wy0A-3clhA:
undetectable		 5wy0A-3clhA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		7 GLY A 290
GLY A 292
ASP A 311
ILE A 312
ASN A 313
HIS A 354
LEU A 355
 None
 0.68A 5wy0A-3dliA:
16.1		 5wy0A-3dliA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		6 GLY A 290
GLY A 292
ASP A 311
ILE A 312
ASN A 313
SER A 329
 None
 1.26A 5wy0A-3dliA:
16.1		 5wy0A-3dliA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  50
GLY A  52
ASP A  73
HIS A 119
LEU A 120
 None
 0.42A 5wy0A-3dtnA:
14.3		 5wy0A-3dtnA:
21.29
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.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 GLY A 114
GLY A 116
ASP A 137
ILE A 138
LEU A 185
 SAM  A 300 (-3.5A)
SAM  A 300 ( 3.7A)
SAM  A 300 (-2.9A)
SAM  A 300 (-3.7A)
None
 0.63A 5wy0A-3fzgA:
11.0		 5wy0A-3fzgA:
21.67
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.
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
ILE A  14
 THJ  A 249 (-3.4A)
None
None
THJ  A 249 (-4.5A)
None
 0.73A 5wy0A-3gedA:
2.4		 5wy0A-3gedA:
21.03
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.
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
VAL A  56
 THJ  A 249 (-3.4A)
None
None
THJ  A 249 (-4.5A)
None
 0.73A 5wy0A-3gedA:
2.4		 5wy0A-3gedA:
21.03
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 GLY A 184
GLY A 186
ASP A 206
ILE A 207
SER A 233
 GOL  A 322 ( 3.7A)
None
GOL  A 322 (-3.5A)
GOL  A 322 (-4.1A)
GOL  A 322 ( 4.3A)
 0.43A 5wy0A-3grzA:
12.7		 5wy0A-3grzA:
23.57
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A  36
GLY A  38
ASP A  60
ILE A  61
ILE A  41
 None
 0.62A 5wy0A-3gvcA:
5.7		 5wy0A-3gvcA:
22.10
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		6 GLY A 721
GLY A 723
ASP A 745
ILE A 746
SER A 778
HIS A 800
 SAH  A 951 (-4.3A)
SAH  A 951 (-3.7A)
SAH  A 951 (-2.8A)
SAH  A 951 (-3.8A)
SAH  A 951 (-3.2A)
MG  A 950 ( 3.2A)
 0.58A 5wy0A-3htxA:
26.5		 5wy0A-3htxA:
12.70
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.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		5 GLY A  39
GLY A  41
ASP A  60
ILE A  61
ASN A  62
 None
 0.67A 5wy0A-3i9fA:
12.2		 5wy0A-3i9fA:
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.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		6 GLY A 122
ILE A 111
SER A 110
VAL A 109
LEU A 145
LEU A  27
 None
 1.28A 5wy0A-3ibzA:
undetectable		 5wy0A-3ibzA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jwi METHYLTRANSFERASE
TYPE 12

(Ruminiclostridium
thermocellum) 		PF08242
(Methyltransf_12) 		6 GLY A  37
GLY A  39
ASP A  60
ILE A 109
HIS A 114
LEU A 115
 None
 0.46A 5wy0A-3jwiA:
24.3		 5wy0A-3jwiA:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3jwj HEN1

(Trichormus
variabilis) 		PF08242
(Methyltransf_12) 		6 GLY A 288
GLY A 290
ASP A 311
ILE A 360
HIS A 365
LEU A 366
 None
 0.48A 5wy0A-3jwjA:
24.0		 5wy0A-3jwjA:
36.44
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.
3l8d METHYLTRANSFERASE

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ASP A  82
ILE A  83
ILE A 123
 None
 0.40A 5wy0A-3l8dA:
13.7		 5wy0A-3l8dA:
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE

(Arabidopsis
thaliana) 		PF05724
(TPMT) 		5 GLY A  74
GLY A  76
ASP A  95
ILE A  96
VAL A 124
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.5A)
SAH  A 300 (-2.8A)
SAH  A 300 (-4.2A)
SAH  A 300 (-4.1A)
 0.51A 5wy0A-3lccA:
13.5		 5wy0A-3lccA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljy PUTATIVE ADHESIN

(Parabacteroides
distasonis) 		PF10988
(DUF2807) 		6 GLY A  27
GLY A  29
ASP A  28
VAL A  25
LEU A  71
HIS A  72
 None
 1.18A 5wy0A-3ljyA:
undetectable		 5wy0A-3ljyA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m70 TELLURITE RESISTANCE
PROTEIN TEHB HOMOLOG

(Haemophilus
influenzae) 		PF03848
(TehB)
PF09313
(DUF1971) 		5 GLY A 128
GLY A 130
ASP A 149
ASN A 151
LEU A 197
 None
 0.69A 5wy0A-3m70A:
14.0		 5wy0A-3m70A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		6 GLY A  43
GLY A  45
ASP A  66
ILE A  67
HIS A 115
LEU A 116
 None
 0.71A 5wy0A-3mggA:
14.1		 5wy0A-3mggA:
23.61
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.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A   7
ASP A  30
ILE A  31
ASN A  32
ILE A  11
 NAD  A 500 (-3.0A)
NAD  A 500 (-2.7A)
NAD  A 500 (-3.8A)
None
NAD  A 500 (-4.0A)
 0.51A 5wy0A-3ojlA:
4.4		 5wy0A-3ojlA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
ASN A  38
ILE A  17
 None
 0.70A 5wy0A-3qivA:
5.8		 5wy0A-3qivA:
19.70
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.
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
ASN A  38
VAL A  63
 None
 0.81A 5wy0A-3qivA:
5.8		 5wy0A-3qivA:
19.70
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.
3qlj SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 GLY A  13
GLY A  15
ASP A  37
ILE A  38
ILE A  18
 None
 0.68A 5wy0A-3qljA:
5.2		 5wy0A-3qljA:
20.62
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		6 GLY A  56
ILE A 349
ASN A 103
VAL A  16
LEU A  18
LEU A   2
 None
 1.37A 5wy0A-3vupA:
undetectable		 5wy0A-3vupA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Klebsiella
pneumoniae;
Corynebacterium
glutamicum) 		PF13561
(adh_short_C2) 		5 GLY A   9
GLY A  11
ASP A  33
ASN A  35
ILE A  14
 NAD  A 301 (-3.3A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
None
NAD  A 301 (-3.8A)
 0.69A 5wy0A-3wyeA:
5.4		 5wy0A-3wyeA:
20.36
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.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Klebsiella
pneumoniae;
Corynebacterium
glutamicum) 		PF13561
(adh_short_C2) 		5 GLY A   9
GLY A  11
ASP A  33
ASN A  35
VAL A  60
 NAD  A 301 (-3.3A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
None
NAD  A 301 (-3.5A)
 0.66A 5wy0A-3wyeA:
5.4		 5wy0A-3wyeA:
20.36
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  34
GLY A  36
ASP A  58
ASN A  60
ILE A  39
 None
 0.58A 5wy0A-4dqxA:
6.5		 5wy0A-4dqxA:
20.42
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		5 GLY A  34
GLY A  36
ASP A  58
ASN A  60
VAL A  82
 None
 0.66A 5wy0A-4dqxA:
6.5		 5wy0A-4dqxA:
20.42
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.
4eyo EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		6 GLY A 220
GLY A 171
ILE A 142
ILE A 164
LEU A 218
LEU A 149
 None
 1.42A 5wy0A-4eyoA:
2.2		 5wy0A-4eyoA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gom DNA ADENINE
METHYLASE

(Escherichia
coli) 		PF02086
(MethyltransfD12) 		5 GLY D  37
ASP D  54
ILE D  55
ASN D  56
SER D 164
 0Y0  D 301 ( 3.8A)
0Y0  D 301 (-2.8A)
0Y0  D 301 (-3.8A)
None
0Y0  D 301 (-3.6A)
 0.55A 5wy0A-4gomD:
10.2		 5wy0A-4gomD:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  61
GLY A  63
ASP A  83
ILE A  84
LEU A 131
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.8A)
None
 0.60A 5wy0A-4iv8A:
13.5		 5wy0A-4iv8A:
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.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		6 GLY A  76
ILE A 190
VAL A 177
ILE A  14
LEU A   7
LEU A  72
 None
 1.33A 5wy0A-4josA:
undetectable		 5wy0A-4josA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A  59
GLY A  61
ASP A  80
LEU A 124
LEU A 128
 SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.5A)
None
None
 0.53A 5wy0A-4krgA:
10.1		 5wy0A-4krgA:
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  62
ASP A  82
HIS A 129
LEU A 130
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.9A)
None
 0.68A 5wy0A-4mwzA:
13.1		 5wy0A-4mwzA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 GLY A  60
GLY A  62
ASP A  82
ILE A  83
LEU A 130
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.7A)
None
 0.45A 5wy0A-4mwzA:
13.1		 5wy0A-4mwzA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pn3 3-HYDROXYACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00106
(adh_short) 		5 GLY A  12
GLY A  14
ASP A  36
ASN A  38
VAL A  60
 None
 0.62A 5wy0A-4pn3A:
5.8		 5wy0A-4pn3A:
18.98
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 GLY A  70
GLY A  72
ASP A  91
ILE A  92
HIS A 139
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.6A)
None
 0.52A 5wy0A-4qdkA:
15.3		 5wy0A-4qdkA:
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		6 GLY B  55
GLY B  57
ASP B  77
ILE B  78
ILE B 117
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 (-4.2A)
CSO  B 124 ( 4.4A)
 0.84A 5wy0A-4qtuB:
13.5		 5wy0A-4qtuB:
23.53
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLY A  63
GLY A  65
ASP A  85
HIS A 132
LEU A 133
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-4.3A)
None
 0.65A 5wy0A-4r6wA:
13.1		 5wy0A-4r6wA:
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 GLY A  63
GLY A  65
ASP A  85
ILE A  86
LEU A 133
 SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.7A)
None
 0.50A 5wy0A-4r6wA:
13.1		 5wy0A-4r6wA:
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.
4rx1 PUTATIVE RRNA
METHYLTRANSFERASE

(Sorangium
cellulosum) 		no annotation 5 GLY A  32
GLY A  34
ASP A  55
SER A  86
VAL A  87
 GOL  A 303 (-3.7A)
None
GOL  A 303 ( 4.2A)
None
IOD  A 302 ( 4.3A)
 0.67A 5wy0A-4rx1A:
10.8		 5wy0A-4rx1A:
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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  14
ASP A  36
ILE A  37
ILE A  17
 None
 0.66A 5wy0A-4ureA:
6.2		 5wy0A-4ureA:
21.24
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.
4wuv 2-HYDROXYCYCLOHEXANE
CARBOXYL-COA
DEHYDROGENASE

(Haemophilus
influenzae) 		PF00106
(adh_short) 		5 GLY A  22
GLY A  24
ASP A  46
ASN A  48
VAL A  73
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.8A)
NAD  A 301 (-2.3A)
NAD  A 301 (-4.8A)
NAD  A 301 (-3.6A)
 0.61A 5wy0A-4wuvA:
5.3		 5wy0A-4wuvA:
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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		6 GLY I 153
GLY I 187
ASP I 182
SER I 180
VAL I 179
ILE I 150
 None
 1.17A 5wy0A-4zoqI:
undetectable		 5wy0A-4zoqI:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  64
GLY Z  66
ASP Z  83
ILE Z 122
HIS Z 127
 None
 0.40A 5wy0A-5cm2Z:
13.5		 5wy0A-5cm2Z:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 GLY A  69
GLY A  71
ASP A  91
HIS A 140
LEU A 141
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.8A)
None
 0.70A 5wy0A-5e1bA:
13.0		 5wy0A-5e1bA:
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 GLY A  69
GLY A  71
ASP A  91
ILE A  92
LEU A 141
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-2.7A)
SAH  A 301 (-3.9A)
None
 0.74A 5wy0A-5e1bA:
13.0		 5wy0A-5e1bA:
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.
5gs0 HEAVY CHAIN
(ANTI-TLR3)

(Mus musculus) 		PF07686
(V-set) 		6 GLY D  51
ASN D  61
VAL D  67
ILE D  39
LEU D  50
LEU D  86
 None
 1.34A 5wy0A-5gs0D:
undetectable		 5wy0A-5gs0D:
20.38
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
GLY A  23
ASP A  45
ILE A  46
VAL A  72
 None
 0.73A 5wy0A-5ha5A:
6.0		 5wy0A-5ha5A:
22.05
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 GLY A  49
ASP A  69
ILE A  70
VAL A  96
LEU A 113
 SAH  A 301 (-3.6A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.9A)
None
 0.65A 5wy0A-5je3A:
14.1		 5wy0A-5je3A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  15
ILE A  38
ASN A  39
VAL A  64
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-3.7A)
None
NAD  A 301 (-3.6A)
 0.62A 5wy0A-5jy1A:
5.5		 5wy0A-5jy1A:
19.08
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		6 GLY A 319
ILE A 372
VAL A 305
ILE A 292
LEU A 295
HIS A 298
 None
 1.25A 5wy0A-5livA:
undetectable		 5wy0A-5livA:
20.49
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.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 5 GLY A  74
GLY A  76
ASP A  95
VAL A 120
HIS A 140
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.1A)
AZ8  A 302 (-4.0A)
 0.62A 5wy0A-5ufmA:
13.7		 5wy0A-5ufmA:
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.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		6 GLY A 155
GLY A 153
VAL A 142
LEU A 158
HIS A 161
LEU A 120
 None
 1.43A 5wy0A-5v9pA:
undetectable		 5wy0A-5v9pA:
16.07
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 GLY A 140
ASP A 157
ASN A 156
ILE A 300
LEU A 299
LEU A 165
 None
 1.13A 5wy0A-5vi6A:
undetectable		 5wy0A-5vi6A:
21.74
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		6 GLY A 161
GLY A 166
ILE A 245
VAL A 227
ILE A 221
LEU A 236
 FAD  A 503 (-3.1A)
None
None
FAD  A 503 (-4.1A)
None
None
 1.27A 5wy0A-5vj7A:
undetectable		 5wy0A-5vj7A:
19.53
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 GLY A  61
GLY A  63
ASP A  82
VAL A 108
LEU A 128
LEU A 132
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-2.9A)
SAH  A 701 (-3.6A)
None
None
 0.53A 5wy0A-5wp4A:
14.3		 5wy0A-5wp4A:
19.61
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 GLY A  61
GLY A  63
ASP A  82
VAL A 108
LEU A 128
LEU A 132
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-2.9A)
SAH  A 502 (-3.6A)
None
None
 0.56A 5wy0A-5wp5A:
14.4		 5wy0A-5wp5A:
18.50
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 12 GLY A  25
GLY A  27
ASP A  48
ILE A  49
ASN A  50
LYS A  53
SER A  84
VAL A  85
ILE A 101
LEU A 103
HIS A 106
LEU A 107
 SAM  A 800 (-3.6A)
SAM  A 800 (-3.5A)
SAM  A 800 (-2.8A)
SAM  A 800 (-4.0A)
None
SAM  A 800 (-4.8A)
SAM  A 800 (-3.4A)
SAM  A 800 (-3.5A)
SAM  A 800 (-4.3A)
SAM  A 800 (-4.4A)
SAM  A 800 (-4.1A)
None
 0.01A 5wy0A-5wy0A:
39.0		 5wy0A-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.
5x03 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2) 		6 GLY A 253
GLY A 394
ILE A 255
ASN A 396
SER A 247
ILE A 446
 None
 1.45A 5wy0A-5x03A:
2.8		 5wy0A-5x03A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8h SHORT-CHAIN
DEHYDROGENASE
REDUCTASE

(Chryseobacterium
sp. CA49) 		no annotation 6 GLY A  13
GLY A  15
ASP A  37
ILE A  38
ASN A  39
ILE A  18
 None
 0.62A 5wy0A-5x8hA:
5.7		 5wy0A-5x8hA:
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.
5yax SCFV1 ANTIBODY

(Homo sapiens) 		no annotation 6 GLY A  54
ASN A  65
VAL A  71
ILE A  42
LEU A  53
LEU A  91
 None
 1.22A 5wy0A-5yaxA:
undetectable		 5wy0A-5yaxA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3b APRA
METHYLTRANSFERASE 1

(Moorea
bouillonii) 		no annotation 5 GLY A 280
GLY A 282
ASP A 315
ASN A 317
LEU A 367
 SAM  A 701 (-3.7A)
SAM  A 701 (-3.3A)
SAM  A 701 (-2.8A)
SAM  A 701 (-4.9A)
SAM  A 701 (-4.3A)
 0.55A 5wy0A-6b3bA:
12.3		 5wy0A-6b3bA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 6 GLY A 106
GLY A 108
ASP A 129
ILE A 130
LEU A 179
LEU A 191
 TER  A 402 ( 4.1A)
CL  A 401 (-4.6A)
TER  A 402 ( 4.4A)
None
None
None
 1.39A 5wy0A-6bq6A:
11.4		 5wy0A-6bq6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.55A 5wy0A-6dubA:
13.5		 5wy0A-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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 6 GLY A 351
GLY A 392
ASN A 148
SER A 336
VAL A 335
ILE A 353
 None
 1.30A 5wy0A-6g45A:
undetectable		 5wy0A-6g45A:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 GLY A 137
GLY A 139
ILE A 203
LEU A 205
HIS A 208
 SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 (-4.2A)
SAH  A 501 (-4.3A)
SAH  A 501 ( 4.6A)
 0.51A 5wy0A-6gkvA:
11.1		 5wy0A-6gkvA:
undetectable