SIMILAR PATTERNS OF AMINO ACIDS FOR 3M6V_A_SAMA465_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.
1a05 3-ISOPROPYLMALATE
DEHYDROGENASE

(Acidithiobacillus
ferrooxidans) 		PF00180
(Iso_dh) 		5 ALA A  72
PRO A  87
GLY A  43
GLY A  44
PRO A 276
 None
 1.08A 3m6vA-1a05A:
undetectable		 3m6vA-1a05A:
23.91
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 PRO A  62
GLY A  63
GLY A  64
ASP A  57
LEU A 109
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
None
None
 1.10A 3m6vA-1eizA:
10.8		 3m6vA-1eizA:
18.22
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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 PRO A  62
GLY A  63
GLY A  64
ASP A 124
LEU A 143
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.6A)
 0.33A 3m6vA-1eizA:
10.8		 3m6vA-1eizA:
18.22
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.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A 102
GLY A 103
VAL A 122
ASP A 123
ASP A 170
LEU A 182
 None
 0.78A 3m6vA-1inlA:
10.5		 3m6vA-1inlA:
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 ALA A 127
GLY A 130
GLY A 131
VAL A 151
ASP A 152
 None
 0.85A 3m6vA-1ixkA:
34.4		 3m6vA-1ixkA:
26.79
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		5 GLY A 130
GLY A 131
LYS A 132
VAL A 151
ASP A 152
 None
 0.84A 3m6vA-1ixkA:
34.4		 3m6vA-1ixkA:
26.79
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.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 226
GLY A 225
VAL A 274
ASP A  73
LEU A  62
 PLP  A 540 (-3.6A)
PLP  A 540 ( 4.8A)
None
PLP  A 540 ( 4.8A)
None
 1.11A 3m6vA-1ko0A:
undetectable		 3m6vA-1ko0A:
23.76
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.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		5 GLY A  36
GLY A  37
VAL A  56
ASP A  57
ASP A 103
 SAH  A 401 (-4.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-4.3A)
None
SAH  A 401 (-3.7A)
 0.73A 3m6vA-1m6yA:
14.0		 3m6vA-1m6yA:
21.63
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  86
GLY A  87
ASP A 106
ASP A 158
LEU A 169
 None
 0.85A 3m6vA-1mjfA:
10.3		 3m6vA-1mjfA:
20.26
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.
1ons CHAPERONE PROTEIN
HCHA

(Escherichia
coli) 		no annotation 5 PRO A 151
GLY A 152
GLY A 153
VAL A 180
LEU A 193
 None
 1.04A 3m6vA-1onsA:
undetectable		 3m6vA-1onsA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		6 PRO A 237
GLY A 236
GLY A 235
ASP A  16
PRO A  90
LEU A 215
 None
None
None
CA  A2001 (-2.2A)
None
None
 1.47A 3m6vA-1q8fA:
3.4		 3m6vA-1q8fA:
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.
1qu4 ORNITHINE
DECARBOXYLASE

(Trypanosoma
brucei) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 236
GLY A 235
VAL A 280
ASP A  88
LEU A  77
 PLP  A 600 (-3.5A)
None
None
PLP  A 600 (-4.4A)
None
 1.09A 3m6vA-1qu4A:
undetectable		 3m6vA-1qu4A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		6 PRO A 257
GLY A 258
GLY A 259
LYS A 260
ASP A 322
PRO A 324
 None
 1.40A 3m6vA-1sqgA:
33.9		 3m6vA-1sqgA:
21.75
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 GLY A 477
GLY A 479
PRO A 614
ASP A 454
PRO A 452
 None
 1.09A 3m6vA-1su7A:
undetectable		 3m6vA-1su7A:
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		5 ALA A  73
PRO A  88
GLY A  44
GLY A  45
PRO A 277
 None
 0.98A 3m6vA-1v5bA:
undetectable		 3m6vA-1v5bA:
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 132
GLY A 133
ASP A 153
ASP A 201
LEU A 212
 None
 0.88A 3m6vA-1xj5A:
11.1		 3m6vA-1xj5A:
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.
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ALA A 452
GLY A 449
VAL A  38
PRO A   6
LEU A 171
 None
 1.10A 3m6vA-2a2dA:
undetectable		 3m6vA-2a2dA:
23.14
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.
2a87 THIOREDOXIN
REDUCTASE

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 ALA A 121
GLY A  50
GLY A  49
VAL A 290
ASP A 291
 None
FAD  A 348 (-2.8A)
FAD  A 348 (-3.9A)
None
None
 0.93A 3m6vA-2a87A:
undetectable		 3m6vA-2a87A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a87 THIOREDOXIN
REDUCTASE

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 ALA A 286
PRO A  24
GLY A  23
VAL A 290
ASP A 291
 None
FAD  A 348 (-3.7A)
FAD  A 348 (-3.4A)
None
None
 1.10A 3m6vA-2a87A:
undetectable		 3m6vA-2a87A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 GLY A 238
LYS A 240
ASP A 260
ARG A 263
ASP A 305
 SAM  A1201 (-3.9A)
SAM  A1201 (-3.1A)
None
SAM  A1201 (-3.9A)
SAM  A1201 (-3.7A)
 1.02A 3m6vA-2b9eA:
29.7		 3m6vA-2b9eA:
26.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 GLY A  64
ASP A  84
ASP A 127
PRO A 129
LEU A 134
 None
None
None
None
CL  A 401 (-4.5A)
 0.93A 3m6vA-2fpoA:
13.0		 3m6vA-2fpoA:
19.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		6 ALA A 125
PRO A 128
GLY A 129
ARG A 154
ASP A 194
PRO A 196
 None
 1.05A 3m6vA-2frxA:
38.2		 3m6vA-2frxA:
35.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		6 ALA A 125
PRO A 128
GLY A 129
ASP A 194
PRO A 196
LEU A 228
 None
 0.84A 3m6vA-2frxA:
38.2		 3m6vA-2frxA:
35.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		6 PRO A 128
GLY A 129
LYS A 131
ARG A 154
ASP A 194
PRO A 196
 None
 1.27A 3m6vA-2frxA:
38.2		 3m6vA-2frxA:
35.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 GLY A 236
GLY A 289
ASP A 231
ASP A 254
LEU A 259
 None
 1.01A 3m6vA-2ftpA:
undetectable		 3m6vA-2ftpA:
23.74
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 GLY A  22
GLY A  23
ASP A  42
PRO A  80
LEU A 100
 None
SAH  A 328 (-3.6A)
None
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
 0.85A 3m6vA-2i9kA:
8.0		 3m6vA-2i9kA:
19.96
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.
2mf9 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP8

(Homo sapiens) 		PF00254
(FKBP_C) 		5 ALA A 137
PRO A 134
GLY A 123
LYS A 119
ASP A 117
 None
 1.10A 3m6vA-2mf9A:
undetectable		 3m6vA-2mf9A:
16.34
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.
2p2y ALPHA-RIBAZOLE-5'-PH
OSPHATE PHOSPHATASE

(Thermus
thermophilus) 		PF00300
(His_Phos_1) 		5 GLY A 134
GLY A 135
ARG A  54
PRO A  66
LEU A  68
 CL  A1001 (-3.6A)
None
None
None
None
 1.11A 3m6vA-2p2yA:
undetectable		 3m6vA-2p2yA:
20.53
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLY A 129
ASP A 149
ASP A 196
LEU A 207
 None
None
None
S4M  A 501 (-2.6A)
S4M  A 501 (-4.4A)
 0.70A 3m6vA-2pt6A:
10.1		 3m6vA-2pt6A:
19.92
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.
2qdx FERREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 PRO A 106
GLY A 107
VAL A 100
ASP A 102
ASP A 248
 None
 0.96A 3m6vA-2qdxA:
3.4		 3m6vA-2qdxA:
21.10
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 224
GLY A 223
VAL A 265
ASP A  65
LEU A  54
 PLP  A 406 (-3.7A)
PLP  A 406 ( 4.4A)
None
PLP  A 406 (-3.7A)
None
 1.04A 3m6vA-2qghA:
undetectable		 3m6vA-2qghA:
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		5 ALA A 186
PRO A 183
GLY A 113
ASP A 178
ARG A 181
 None
 1.08A 3m6vA-2wknA:
undetectable		 3m6vA-2wknA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xgo XCOGT

(Xanthomonas
campestris) 		PF13432
(TPR_16)
PF13844
(Glyco_transf_41) 		5 ALA A 166
GLY A 293
GLY A 294
ARG A 184
LEU A 132
 None
 1.07A 3m6vA-2xgoA:
2.2		 3m6vA-2xgoA:
25.70
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.
2xka FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		5 PRO A  89
GLY A 140
GLY A 139
ASP A  94
LEU A 152
 None
GSP  A 900 (-3.3A)
GSP  A 900 (-3.3A)
None
None
 1.02A 3m6vA-2xkaA:
2.7		 3m6vA-2xkaA:
22.54
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.
2xlr FLAVIN-CONTAINING
MONOOXYGENASE

(Methylophaga
aminisulfidivorans) 		PF00743
(FMO-like) 		5 GLY A  49
GLY A  16
VAL A 107
ASP A 110
PRO A 103
 None
FAD  A 500 (-3.5A)
None
None
None
 1.04A 3m6vA-2xlrA:
2.4		 3m6vA-2xlrA:
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.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLY A  40
GLY A  41
VAL A 190
ASP A 191
PRO A  77
 None
 1.11A 3m6vA-2xn1A:
undetectable		 3m6vA-2xn1A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		8 ALA A 267
GLY A 271
GLY A 272
LYS A 273
VAL A 292
ASP A 293
ARG A 296
ASP A 337
 SFG  A5748 (-3.4A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.3A)
SFG  A5748 ( 3.9A)
None
SFG  A5748 (-3.0A)
SFG  A5748 (-3.6A)
 0.90A 3m6vA-2yxlA:
37.6		 3m6vA-2yxlA:
24.30
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		6 ALA A 267
GLY A 272
LYS A 273
ASP A 293
ARG A 296
ASP A 337
 SFG  A5748 (-3.4A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.3A)
None
SFG  A5748 (-3.0A)
SFG  A5748 (-3.6A)
 1.10A 3m6vA-2yxlA:
37.6		 3m6vA-2yxlA:
24.30
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		7 ALA A 267
GLY A 272
LYS A 273
ASP A 293
ASP A 337
PRO A 339
LEU A 371
 SFG  A5748 (-3.4A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.3A)
None
SFG  A5748 (-3.6A)
SFG  A5748 (-4.0A)
None
 0.92A 3m6vA-2yxlA:
37.6		 3m6vA-2yxlA:
24.30
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		10 ALA A 267
PRO A 270
GLY A 271
GLY A 272
LYS A 273
VAL A 292
ASP A 293
ASP A 337
PRO A 339
LEU A 371
 SFG  A5748 (-3.4A)
SFG  A5748 (-3.6A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.3A)
SFG  A5748 ( 3.9A)
None
SFG  A5748 (-3.6A)
SFG  A5748 (-4.0A)
None
 0.78A 3m6vA-2yxlA:
37.6		 3m6vA-2yxlA:
24.30
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		6 PRO A 270
GLY A 271
VAL A 292
ASP A 293
PRO A 339
LEU A 367
 SFG  A5748 (-3.6A)
SFG  A5748 (-3.7A)
SFG  A5748 ( 3.9A)
None
SFG  A5748 (-4.0A)
None
 1.50A 3m6vA-2yxlA:
37.6		 3m6vA-2yxlA:
24.30
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 213
GLY A 212
VAL A 252
ASP A  65
LEU A  54
 PLP  A 401 ( 4.1A)
PLP  A 401 ( 4.6A)
None
PLP  A 401 (-4.1A)
None
 0.84A 3m6vA-2yxxA:
undetectable		 3m6vA-2yxxA:
21.73
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  88
GLY A  89
ASP A 109
ASP A 161
LEU A 172
 None
None
None
AG3  A1001 (-2.8A)
None
 0.80A 3m6vA-2zsuA:
10.6		 3m6vA-2zsuA:
19.01
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.
3a3u MENAQUINONE
BIOSYNTHETIC ENZYME

(Thermus
thermophilus) 		PF02621
(VitK2_biosynth) 		5 GLY A  74
GLY A  75
VAL A  22
PRO A  34
LEU A  36
 None
 1.08A 3m6vA-3a3uA:
undetectable		 3m6vA-3a3uA:
24.26
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		5 LYS A  97
ARG A 120
ASP A 163
PRO A 165
LEU A 193
 SFG  A 500 (-2.8A)
SFG  A 500 (-4.4A)
SFG  A 500 (-3.7A)
SFG  A 500 (-3.9A)
None
 1.02A 3m6vA-3a4tA:
31.3		 3m6vA-3a4tA:
22.59
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		7 PRO A  94
GLY A  95
GLY A  96
LYS A  97
ASP A 163
PRO A 165
LEU A 193
 SFG  A 500 (-3.9A)
SFG  A 500 (-4.0A)
SFG  A 500 (-3.5A)
SFG  A 500 (-2.8A)
SFG  A 500 (-3.7A)
SFG  A 500 (-3.9A)
None
 0.47A 3m6vA-3a4tA:
31.3		 3m6vA-3a4tA:
22.59
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 PRO A 531
GLY A 480
GLY A 479
ASP A 534
LEU A  43
 None
 1.01A 3m6vA-3aqpA:
undetectable		 3m6vA-3aqpA:
24.67
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 PRO A 211
GLY A 210
GLY A 236
VAL A 230
LEU A  62
 None
None
None
None
K  A 703 ( 4.9A)
 1.05A 3m6vA-3bolA:
undetectable		 3m6vA-3bolA:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		6 GLY A 541
GLY A 543
ASP A 263
ARG A 260
PRO A 257
LEU A 290
 MGD  A1246 (-3.0A)
MGD  A1246 (-3.5A)
None
MGD  A1246 ( 3.7A)
None
None
 1.41A 3m6vA-3egwA:
2.9		 3m6vA-3egwA:
17.03
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.
3ejg NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
229E) 		PF01661
(Macro) 		5 GLY A  43
GLY A  42
ASP A  18
ASP A  50
LEU A  84
 None
 0.97A 3m6vA-3ejgA:
undetectable		 3m6vA-3ejgA:
17.51
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.
3ewr NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
229E) 		PF01661
(Macro) 		5 GLY A  44
GLY A  43
ASP A  19
ASP A  51
LEU A  85
 APR  A 169 (-3.2A)
APR  A 169 ( 4.5A)
None
None
None
 0.96A 3m6vA-3ewrA:
undetectable		 3m6vA-3ewrA:
16.96
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.
3eza PHOSPHOTRANSFERASE
SYSTEM, ENZYME I

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF05524
(PEP-utilisers_N) 		5 GLY A   4
GLY A 204
VAL A 223
ASP A 221
PRO A 200
 None
 1.09A 3m6vA-3ezaA:
undetectable		 3m6vA-3ezaA:
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		5 ALA A 168
GLY A  94
GLY A  93
ASP A 267
ASP A 164
 SEP  A 165 ( 3.3A)
SEP  A 165 ( 3.5A)
SEP  A 165 ( 3.6A)
None
SEP  A 165 ( 4.4A)
 1.06A 3m6vA-3ga7A:
2.7		 3m6vA-3ga7A:
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.
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF02738
(Ald_Xan_dh_C2) 		5 GLY B 278
GLY B 277
VAL B 287
PRO B 214
LEU B 272
 None
None
MCN  B 921 (-4.2A)
None
None
 1.09A 3m6vA-3hrdB:
undetectable		 3m6vA-3hrdB:
22.53
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.
3kin KINESIN HEAVY CHAIN
KINESIN HEAVY CHAIN

(Rattus
norvegicus;
Rattus
norvegicus) 		PF00225
(Kinesin)
PF00225
(Kinesin) 		5 GLY B 294
GLY B 293
VAL A  74
ASP A  73
LEU A 230
 None
 0.81A 3m6vA-3kinB:
undetectable		 3m6vA-3kinB:
12.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		7 PRO A 116
GLY A 117
GLY A 118
LYS A 119
PRO A 165
ASP A 182
PRO A 184
 None
 0.48A 3m6vA-3m4xA:
47.8		 3m6vA-3m4xA:
40.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		7 ALA A 109
GLY A 113
LYS A 115
PRO A 160
ASP A 177
PRO A 179
LEU A 211
 None
 0.97A 3m6vA-3m6xA:
65.0		 3m6vA-3m6xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		12 ALA A 109
PRO A 112
GLY A 113
GLY A 114
LYS A 115
VAL A 134
ASP A 135
ARG A 138
PRO A 160
ASP A 177
PRO A 179
LEU A 211
 None
 0.47A 3m6vA-3m6xA:
65.0		 3m6vA-3m6xA:
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 GLY A 170
GLY A 171
VAL A  86
ASP A  87
LEU A  60
 None
 1.02A 3m6vA-3qp9A:
5.3		 3m6vA-3qp9A:
25.61
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 105
GLY A 106
ASP A 126
ASP A 173
LEU A 184
 None
None
None
DSH  A 303 (-3.0A)
DSH  A 303 (-4.2A)
 0.69A 3m6vA-3rw9A:
9.9		 3m6vA-3rw9A:
21.54
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.
3saj GLUTAMATE RECEPTOR 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ALA A 246
GLY A 330
GLY A 333
ARG A 247
ASP A 242
 None
 1.08A 3m6vA-3sajA:
3.6		 3m6vA-3sajA:
21.44
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.
3swo GLUTARYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 137
GLY A  65
LYS A  62
VAL A 183
ASP A 136
 None
 1.07A 3m6vA-3swoA:
undetectable		 3m6vA-3swoA:
25.25
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 PRO A  49
GLY A  47
VAL A 450
ASP A 451
LEU A  41
 None
 1.10A 3m6vA-3t3oA:
undetectable		 3m6vA-3t3oA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PRO A  12
GLY A  11
GLY A  38
VAL A 331
ASP A 328
 FAD  A 500 (-3.2A)
FAD  A 500 (-3.2A)
None
None
None
 1.10A 3m6vA-3urhA:
2.5		 3m6vA-3urhA:
22.24
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 239
GLY A 238
VAL A 282
ASP A  80
LEU A  69
 LLP  A  61 ( 3.6A)
LLP  A  61 ( 4.8A)
None
LLP  A  61 ( 4.0A)
None
 1.05A 3m6vA-3vabA:
undetectable		 3m6vA-3vabA:
23.12
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ALA A 164
PRO A 159
GLY A 112
PRO A 138
LEU A 131
 None
 1.10A 3m6vA-3zyvA:
undetectable		 3m6vA-3zyvA:
16.13
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.
4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLY A 246
LYS A 267
VAL A 186
ASP A 248
LEU A 172
 None
 0.85A 3m6vA-4a27A:
5.4		 3m6vA-4a27A:
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.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 ALA A 133
GLY A 184
GLY A 186
PRO A 123
LEU A 105
 None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.6A)
None
 1.04A 3m6vA-4autA:
undetectable		 3m6vA-4autA:
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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 GLY A 263
GLY A 262
VAL A 136
PRO A  41
LEU A 312
 None
 1.00A 3m6vA-4bkoA:
6.4		 3m6vA-4bkoA:
24.61
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 ALA A 577
GLY A 552
VAL A 575
ASP A 150
LEU A 182
 None
 0.89A 3m6vA-4bx9A:
undetectable		 3m6vA-4bx9A:
25.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 GLY A 448
GLY A 449
VAL A 483
ASP A 442
ASP A 446
 None
 1.06A 3m6vA-4fm9A:
undetectable		 3m6vA-4fm9A:
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		6 GLY A 186
LYS A 187
ARG A 209
ASP A 255
PRO A 257
LEU A 291
 SAM  A 401 (-3.9A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.6A)
SAM  A 401 (-3.7A)
SAM  A 401 (-4.0A)
None
 1.00A 3m6vA-4fzvA:
28.9		 3m6vA-4fzvA:
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		8 PRO A 185
GLY A 185
GLY A 186
LYS A 187
ARG A 209
ASP A 255
PRO A 257
LEU A 291
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.7A)
SAM  A 401 (-3.9A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.6A)
SAM  A 401 (-3.7A)
SAM  A 401 (-4.0A)
None
 0.43A 3m6vA-4fzvA:
28.9		 3m6vA-4fzvA:
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.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		5 GLY A  93
GLY A  89
ASP A 151
PRO A 119
LEU A 121
 None
 1.00A 3m6vA-4gvfA:
undetectable		 3m6vA-4gvfA:
23.43
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.
4ip4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Ruegeria sp.
TM1040) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 334
GLY A 328
GLY A 327
ASP A 366
LEU A 155
 None
 1.11A 3m6vA-4ip4A:
undetectable		 3m6vA-4ip4A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		6 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.24A 3m6vA-4j5iA:
undetectable		 3m6vA-4j5iA:
23.06
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.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		6 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.25A 3m6vA-4j5iA:
undetectable		 3m6vA-4j5iA:
23.06
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.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		5 ALA A 168
GLY A  94
GLY A  93
ASP A 267
ASP A 164
 SEB  A 165 ( 3.4A)
SEB  A 165 ( 3.5A)
SEB  A 165 ( 3.6A)
PGE  A 401 ( 4.4A)
SEB  A 165 ( 4.4A)
 1.10A 3m6vA-4kryA:
undetectable		 3m6vA-4kryA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 ALA A 126
GLY A 177
GLY A 179
PRO A 116
LEU A  98
 None
None
FAD  A 501 (-3.3A)
FAD  A 501 (-4.5A)
None
 1.05A 3m6vA-4kw5A:
undetectable		 3m6vA-4kw5A:
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.
4lma CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 ALA A 190
PRO A 154
GLY A 184
GLY A 183
ARG A 158
 None
None
PLP  A 403 (-3.8A)
PLP  A 403 (-3.3A)
None
 1.11A 3m6vA-4lmaA:
undetectable		 3m6vA-4lmaA:
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		5 PRO A 280
GLY A 281
GLY A 282
ASP A 364
LEU A 383
 SAM  A 601 (-3.6A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.6A)
SAM  A 601 (-4.6A)
 0.58A 3m6vA-4n49A:
10.2		 3m6vA-4n49A:
22.64
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 ALA A 235
GLY A 410
VAL A 380
ASP A 383
ASP A 234
 None
 0.98A 3m6vA-4ohtA:
2.7		 3m6vA-4ohtA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trt DNA POLYMERASE III
SUBUNIT BETA

(Deinococcus
radiodurans) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		6 ALA A 331
GLY A 348
GLY A 350
VAL A 250
PRO A 253
LEU A 257
 None
 1.49A 3m6vA-4trtA:
undetectable		 3m6vA-4trtA:
23.98
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLY A 129
ASP A 149
ASP A 196
LEU A 207
 None
None
None
4ZY  A 501 ( 3.6A)
MTA  A 401 (-4.4A)
 0.73A 3m6vA-4uoeA:
10.0		 3m6vA-4uoeA:
17.13
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 ALA A 154
GLY A 147
GLY A 183
VAL A 271
ASP A 310
 None
 1.10A 3m6vA-4yv7A:
undetectable		 3m6vA-4yv7A:
25.95
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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 ALA A 270
GLY A 361
GLY A 360
ASP A 386
ASP A 357
 None
 1.07A 3m6vA-5e31A:
undetectable		 3m6vA-5e31A:
19.46
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 149
PRO A 123
GLY A 122
GLY A  33
PRO A 208
 None
 1.08A 3m6vA-5ehfA:
undetectable		 3m6vA-5ehfA:
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.
5ew5 COLICIN-E9

(Escherichia
coli) 		PF03515
(Cloacin) 		5 GLY A 266
ARG A 185
PRO A  93
ASP A 189
LEU A 137
 None
 1.10A 3m6vA-5ew5A:
undetectable		 3m6vA-5ew5A:
21.02
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 5 PRO B  84
GLY B  29
VAL B 202
ASP B  91
LEU B 306
 None
 1.01A 3m6vA-5i61B:
undetectable		 3m6vA-5i61B:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kh5 ISOPRENYL
TRANSFERASE

(Streptococcus
pneumoniae) 		PF01255
(Prenyltransf) 		5 ALA A  71
GLY A  29
GLY A  31
VAL A  69
LEU A 145
 None
 1.09A 3m6vA-5kh5A:
undetectable		 3m6vA-5kh5A:
21.52
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A  23
VAL A 270
ASP A 254
ASP A 225
PRO A 224
 None
 0.95A 3m6vA-5mdnA:
undetectable		 3m6vA-5mdnA:
21.46
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.
5mlk ACETYL-COA
CARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A 425
PRO A 361
GLY A 362
VAL A 427
PRO A 429
 None
 1.11A 3m6vA-5mlkA:
undetectable		 3m6vA-5mlkA:
24.45
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 ALA A 582
GLY A 780
GLY A 781
VAL A 555
ASP A 556
 None
 0.99A 3m6vA-5mqmA:
undetectable		 3m6vA-5mqmA:
18.79
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.
5o9j TRANSCRIPTION
INITIATION FACTOR
IIB,TRANSCRIPTION
INITIATION FACTOR
IIB

(Methanocaldococcus
jannaschii) 		no annotation 5 ALA A 171
GLY A 174
GLY A 175
ASP A   3
LEU A 161
 None
 1.08A 3m6vA-5o9jA:
undetectable		 3m6vA-5o9jA:
15.67
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.
5vkq NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L

(Drosophila
melanogaster) 		PF00023
(Ank)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A 983
GLY A1021
GLY A1020
PRO A1013
LEU A 979
 None
 1.01A 3m6vA-5vkqA:
undetectable		 3m6vA-5vkqA:
14.53
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.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		7 PRO A 245
GLY A 246
GLY A 247
LYS A 248
ASP A 323
PRO A 325
LEU A 354
 C  C  72 ( 4.7A)
None
None
C  C  72 ( 3.1A)
C  C  72 ( 2.8A)
None
None
 0.50A 3m6vA-5wwtA:
33.4		 3m6vA-5wwtA:
24.68
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		5 GLY A  62
ARG A  68
PRO A  36
ASP A  56
LEU A  15
 None
 1.10A 3m6vA-5y4jA:
2.2		 3m6vA-5y4jA:
25.36
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 GLY A 207
GLY A 208
VAL A 413
ASP A 414
LEU A 436
 None
 0.99A 3m6vA-6cczA:
3.1		 3m6vA-6cczA:
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 162
GLY A 168
ASP A 129
ASP A 164
PRO A 160
 None
None
None
PO4  A 701 (-3.0A)
None
 1.05A 3m6vA-6fbtA:
undetectable		 3m6vA-6fbtA:
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.
6gun -

(-) 		no annotation 5 PRO A 300
VAL A 270
ASP A 173
PRO A 214
LEU A 165
 None
 0.97A 3m6vA-6gunA:
undetectable		 3m6vA-6gunA:
undetectable