SIMILAR PATTERNS OF AMINO ACIDS FOR 3M6W_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
 1.07A 3m6wA-1a05A:
undetectable		 3m6wA-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.
1g8p MAGNESIUM-CHELATASE
38 KDA SUBUNIT

(Rhodobacter
capsulatus) 		PF01078
(Mg_chelatase) 		5 GLY A  47
GLY A  46
VAL A 107
PRO A 105
VAL A  80
 None
 1.00A 3m6wA-1g8pA:
undetectable		 3m6wA-1g8pA:
26.37
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.
1h3m 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF01128
(IspD) 		5 ALA A  57
GLY A  61
ASP A  87
PRO A  13
VAL A 104
 None
 1.05A 3m6wA-1h3mA:
undetectable		 3m6wA-1h3mA:
20.69
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.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 102
GLY A 103
VAL A 122
ASP A 123
LEU A 182
 None
 0.62A 3m6wA-1inlA:
10.4		 3m6wA-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
 0.84A 3m6wA-1ixkA:
34.4		 3m6wA-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
 0.88A 3m6wA-1ixkA:
34.4		 3m6wA-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.
1l9g CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF03167
(UDG) 		5 GLY A 153
GLY A 152
PRO A 158
VAL A 138
LEU A 129
 None
 1.02A 3m6wA-1l9gA:
undetectable		 3m6wA-1l9gA:
16.52
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.
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 3m6wA-1onsA:
undetectable		 3m6wA-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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 5 GLY B  85
VAL B 179
ASP B 180
VAL B  62
LEU B 192
 None
None
PLP  B 764 (-2.8A)
None
None
 0.95A 3m6wA-1p3wB:
undetectable		 3m6wA-1p3wB:
22.92
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.
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 3m6wA-1q8fA:
3.4		 3m6wA-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.
1qwj CYTIDINE
MONOPHOSPHO-N-ACETYL
NEURAMINIC ACID
SYNTHETASE

(Mus musculus) 		PF02348
(CTP_transf_3) 		5 GLY A 231
GLY A 230
PRO A  41
VAL A  82
LEU A  43
 None
 1.01A 3m6wA-1qwjA:
undetectable		 3m6wA-1qwjA:
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G

(Escherichia
coli) 		PF04349
(MdoG) 		5 ALA A 214
GLY A  37
VAL A 242
VAL A 247
LEU A 173
 None
 1.06A 3m6wA-1txkA:
undetectable		 3m6wA-1txkA:
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.
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
 0.99A 3m6wA-1v5bA:
undetectable		 3m6wA-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.
1z9d URIDYLATE KINASE

(Streptococcus
pyogenes) 		PF00696
(AA_kinase) 		5 ALA A 147
GLY A 135
GLY A 133
ASP A 200
VAL A 216
 None
 1.06A 3m6wA-1z9dA:
undetectable		 3m6wA-1z9dA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 3m6wA-2a87A:
2.4		 3m6wA-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.
2dck XYLANASE J

(Bacillus sp.
41M-1) 		PF00457
(Glyco_hydro_11)
PF03422
(CBM_6) 		5 GLY A 276
GLY A 275
VAL A 310
VAL A 234
LEU A 321
 None
 1.08A 3m6wA-2dckA:
undetectable		 3m6wA-2dckA:
18.94
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) 		5 ALA A 125
PRO A 128
GLY A 129
ARG A 154
PRO A 196
 None
 0.98A 3m6wA-2frxA:
38.1		 3m6wA-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) 		5 ALA A 125
PRO A 128
GLY A 129
PRO A 196
LEU A 228
 None
 0.70A 3m6wA-2frxA:
38.1		 3m6wA-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.
2hvv DEOXYCYTIDYLATE
DEAMINASE

(Streptococcus
mutans) 		PF00383
(dCMP_cyt_deam_1) 		6 GLY A  46
GLY A  47
VAL A  94
PRO A  98
VAL A 111
LEU A 106
 SO4  A 151 ( 4.0A)
SO4  A 151 (-4.6A)
None
None
None
None
 1.15A 3m6wA-2hvvA:
undetectable		 3m6wA-2hvvA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3m6wA-2i9kA:
8.4		 3m6wA-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.
2kuc PUTATIVE
DISULPHIDE-ISOMERASE

(Bacteroides
thetaiotaomicron) 		PF00085
(Thioredoxin) 		5 ALA A 103
GLY A  37
ASP A 105
VAL A 113
LEU A 100
 None
 1.07A 3m6wA-2kucA:
undetectable		 3m6wA-2kucA:
14.22
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.
2pge MENC

(Desulfotalea
psychrophila) 		PF13378
(MR_MLE_C) 		5 ALA A 128
GLY A 136
GLY A 135
VAL A  35
VAL A 112
 None
 0.96A 3m6wA-2pgeA:
undetectable		 3m6wA-2pgeA:
26.45
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.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 162
GLY A 163
VAL A 109
PRO A 105
VAL A 214
 None
 0.83A 3m6wA-2vqdA:
undetectable		 3m6wA-2vqdA:
24.81
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.
2wjz IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISH

(Thermotoga
maritima) 		PF00117
(GATase) 		5 GLY B 170
VAL B  83
PRO B 179
VAL B  20
LEU B 190
 None
 1.04A 3m6wA-2wjzB:
undetectable		 3m6wA-2wjzB:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3m6wA-2xkaA:
undetectable		 3m6wA-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 3m6wA-2xlrA:
undetectable		 3m6wA-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
 1.06A 3m6wA-2xn1A:
undetectable		 3m6wA-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) 		6 ALA A 267
GLY A 272
LYS A 273
ASP A 293
PRO A 339
LEU A 371
 SFG  A5748 (-3.4A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.3A)
None
SFG  A5748 (-4.0A)
None
 0.92A 3m6wA-2yxlA:
37.6		 3m6wA-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) 		9 ALA A 267
PRO A 270
GLY A 271
GLY A 272
LYS A 273
VAL A 292
ASP A 293
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 (-4.0A)
None
 0.83A 3m6wA-2yxlA:
37.6		 3m6wA-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 GLY A 271
GLY A 272
LYS A 273
VAL A 292
ASP A 293
ARG A 296
 SFG  A5748 (-3.7A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.3A)
SFG  A5748 ( 3.9A)
None
SFG  A5748 (-3.0A)
 0.85A 3m6wA-2yxlA:
37.6		 3m6wA-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.
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
 1.04A 3m6wA-3a3uA:
undetectable		 3m6wA-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) 		6 PRO A  94
GLY A  95
GLY A  96
LYS A  97
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 (-3.9A)
None
 0.46A 3m6wA-3a4tA:
31.2		 3m6wA-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
 0.99A 3m6wA-3aqpA:
undetectable		 3m6wA-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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		5 GLY A 238
GLY A 237
ASP A 188
VAL A 257
LEU A 253
 None
 0.87A 3m6wA-3at7A:
undetectable		 3m6wA-3at7A:
24.36
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		6 PRO A 211
GLY A 210
GLY A 236
VAL A 230
VAL A  60
LEU A  62
 None
None
None
None
None
K  A 703 ( 4.9A)
 1.37A 3m6wA-3bolA:
undetectable		 3m6wA-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.
3cai POSSIBLE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 GLY A 372
GLY A 371
VAL A 330
VAL A 391
LEU A 390
 None
 1.03A 3m6wA-3caiA:
undetectable		 3m6wA-3caiA:
24.23
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.
3cyj MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 GLY A 152
GLY A 151
ASP A 333
PRO A 298
VAL A 130
LEU A 314
 None
 1.32A 3m6wA-3cyjA:
undetectable		 3m6wA-3cyjA:
26.01
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		5 GLY A 389
VAL A 323
PRO A 379
VAL A 340
LEU A 344
 None
 0.89A 3m6wA-3edyA:
undetectable		 3m6wA-3edyA:
23.45
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		6 GLY A 409
GLY A 410
VAL A 323
PRO A 379
VAL A 340
LEU A 344
 None
 1.38A 3m6wA-3edyA:
undetectable		 3m6wA-3edyA:
23.45
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		5 GLY A 199
GLY A 198
VAL A 231
ARG A 270
VAL A 184
 None
 0.94A 3m6wA-3ekmA:
undetectable		 3m6wA-3ekmA:
20.73
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.
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
 1.07A 3m6wA-3ezaA:
undetectable		 3m6wA-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.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ALA A 143
GLY A 172
VAL A 127
VAL A 156
LEU A 157
 None
 1.02A 3m6wA-3g0oA:
4.6		 3m6wA-3g0oA:
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.
3hdu PUTATIVE
THIOESTERASE

(Syntrophus
aciditrophicus) 		PF03061
(4HBT) 		5 ALA A  68
GLY A  63
GLY A  62
VAL A  41
LEU A  43
 None
 1.02A 3m6wA-3hduA:
undetectable		 3m6wA-3hduA:
15.52
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.
3hks EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-2

(Arabidopsis
thaliana) 		PF01287
(eIF-5a) 		5 GLY A 109
GLY A 108
VAL A 101
ASP A  94
VAL A 152
 None
 1.07A 3m6wA-3hksA:
undetectable		 3m6wA-3hksA:
14.91
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		5 ALA A 454
GLY A 421
GLY A 447
VAL A 458
ASP A 459
 None
 0.92A 3m6wA-3hlkA:
2.5		 3m6wA-3hlkA:
25.05
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.
3j31 COAT PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 GLY A  84
PRO A 142
PRO A  99
VAL A 105
LEU A  52
 None
 1.08A 3m6wA-3j31A:
undetectable		 3m6wA-3j31A:
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.
3jzy INTERSECTIN 2

(Homo sapiens) 		PF00168
(C2) 		5 PRO A1639
GLY A1638
VAL A1656
ARG A1657
LEU A1604
 None
None
None
UNX  A   4 ( 4.1A)
None
 1.03A 3m6wA-3jzyA:
undetectable		 3m6wA-3jzyA:
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 PRO A  61
GLY A  60
GLY A 189
VAL A 205
LEU A 202
 None
 0.92A 3m6wA-3ka7A:
undetectable		 3m6wA-3ka7A:
22.15
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.
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
 0.82A 3m6wA-3kinB:
undetectable		 3m6wA-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) 		6 PRO A 116
GLY A 117
GLY A 118
LYS A 119
PRO A 165
PRO A 184
 None
 0.46A 3m6wA-3m4xA:
47.2		 3m6wA-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) 		6 ALA A 109
GLY A 113
PRO A 160
PRO A 179
VAL A 207
LEU A 211
 None
 0.76A 3m6wA-3m6xA:
66.9		 3m6wA-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) 		6 ALA A 109
GLY A 114
LYS A 115
PRO A 179
VAL A 207
LEU A 211
 None
 1.00A 3m6wA-3m6xA:
66.9		 3m6wA-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
PRO A 179
VAL A 207
LEU A 211
 None
 0.29A 3m6wA-3m6xA:
66.9		 3m6wA-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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00365
(PFK)
PF00365
(PFK) 		5 GLY B 729
VAL B 854
ASP A 749
PRO B 851
VAL B 743
 None
 0.91A 3m6wA-3o8oB:
undetectable		 3m6wA-3o8oB:
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 GLY A 318
VAL A 225
PRO A 281
VAL A 234
LEU A 274
 None
 1.02A 3m6wA-3oepA:
undetectable		 3m6wA-3oepA:
27.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3om3 CYTOCHROME C OXIDASE
SUBUNIT 2

(Rhodobacter
sphaeroides) 		PF00116
(COX2)
PF02790
(COX2_TM) 		5 PRO B 232
GLY B 233
VAL B 138
VAL B 226
LEU B 238
 None
 1.06A 3m6wA-3om3B:
undetectable		 3m6wA-3om3B:
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.
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
 1.03A 3m6wA-3qp9A:
5.3		 3m6wA-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.
3qpb URIDINE
PHOSPHORYLASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 GLY A  99
GLY A 100
VAL A  95
VAL A 139
LEU A 143
 URA  A1255 (-3.2A)
None
None
None
None
 1.03A 3m6wA-3qpbA:
undetectable		 3m6wA-3qpbA:
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.
3slu M23 PEPTIDASE DOMAIN
PROTEIN

(Neisseria
meningitidis) 		PF01551
(Peptidase_M23) 		5 GLY A 250
GLY A 251
ASP A 299
VAL A 308
LEU A 272
 None
None
NI  A   1 (-2.5A)
None
None
 0.84A 3m6wA-3sluA:
undetectable		 3m6wA-3sluA:
22.27
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.
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
 1.08A 3m6wA-3urhA:
2.9		 3m6wA-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.
3v30 DNA-BINDING PROTEIN
RFXANK

(Homo sapiens) 		PF12796
(Ank_2)
PF13606
(Ank_3) 		5 VAL A 181
ARG A 212
PRO A 150
VAL A 140
LEU A 144
 None
 1.06A 3m6wA-3v30A:
undetectable		 3m6wA-3v30A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1144
GLY A1145
PRO A1130
VAL A1073
LEU A1132
 None
 0.96A 3m6wA-3va7A:
2.0		 3m6wA-3va7A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1167
VAL A1073
PRO A1130
VAL A1082
LEU A1123
 None
 0.98A 3m6wA-3va7A:
2.0		 3m6wA-3va7A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zzf ACETYLGLUTAMATE
KINASE

(Saccharomyces
cerevisiae) 		PF00696
(AA_kinase) 		5 GLY A 105
GLY A 106
PRO A 130
VAL A 188
LEU A 231
 EDO  A1355 ( 4.5A)
NLG  A1360 ( 4.9A)
None
None
None
 1.00A 3m6wA-3zzfA:
2.9		 3m6wA-3zzfA:
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.
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
 1.05A 3m6wA-4autA:
undetectable		 3m6wA-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
 1.01A 3m6wA-4bkoA:
5.8		 3m6wA-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
 0.91A 3m6wA-4bx9A:
undetectable		 3m6wA-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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 GLY A  18
GLY A  17
VAL A 225
VAL A 210
LEU A 195
 None
None
None
None
FAD  A 551 (-4.6A)
 0.98A 3m6wA-4c3yA:
2.1		 3m6wA-4c3yA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3d IMINE REDUCTASE

(Bacillus cereus) 		PF03446
(NAD_binding_2) 		5 GLY A  34
GLY A  31
VAL A  82
VAL A  99
LEU A  96
 None
 1.00A 3m6wA-4d3dA:
3.5		 3m6wA-4d3dA:
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.
4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 GLY A 316
GLY A 317
PRO A  70
VAL A 335
LEU A  68
 None
 0.91A 3m6wA-4fdjA:
undetectable		 3m6wA-4fdjA:
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.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		5 GLY A 237
GLY A 236
ASP A 255
VAL A 337
LEU A 285
 None
 1.06A 3m6wA-4fdyA:
undetectable		 3m6wA-4fdyA:
21.43
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		7 PRO A 185
GLY A 185
GLY A 186
LYS A 187
ARG A 209
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 (-4.0A)
None
 0.54A 3m6wA-4fzvA:
28.8		 3m6wA-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
 0.99A 3m6wA-4gvfA:
undetectable		 3m6wA-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.
4iwh 3-ISOPROPYLMALATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00180
(Iso_dh) 		5 ALA A  67
PRO A  82
GLY A  38
GLY A  39
PRO A 277
 None
 0.95A 3m6wA-4iwhA:
undetectable		 3m6wA-4iwhA:
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.
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
 1.20A 3m6wA-4j5iA:
undetectable		 3m6wA-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
 1.23A 3m6wA-4j5iA:
undetectable		 3m6wA-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.
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 3m6wA-4kw5A:
undetectable		 3m6wA-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.
4mfi SN-GLYCEROL-3-PHOSPH
ATE ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN USPB

(Mycobacterium
tuberculosis) 		PF13416
(SBP_bac_8) 		5 GLY A 306
GLY A 305
VAL A  98
VAL A 113
LEU A 114
 None
 1.01A 3m6wA-4mfiA:
undetectable		 3m6wA-4mfiA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A 459
GLY A 434
GLY A 435
VAL A 600
LEU A 596
 None
 1.07A 3m6wA-4ox2A:
undetectable		 3m6wA-4ox2A:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pch VP1

(Human
polyomavirus 7) 		PF00718
(Polyoma_coat) 		5 GLY A 208
GLY A 209
PRO A 150
VAL A 157
LEU A 155
 None
 1.03A 3m6wA-4pchA:
undetectable		 3m6wA-4pchA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3o MGS-MT1

(unidentified) 		PF07859
(Abhydrolase_3) 		5 GLY A 196
GLY A 197
VAL A 104
VAL A 178
LEU A 179
 None
 1.07A 3m6wA-4q3oA:
undetectable		 3m6wA-4q3oA:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ALA A  55
GLY A 104
ASP A  52
VAL A  60
LEU A  57
 None
 1.04A 3m6wA-4qmeA:
undetectable		 3m6wA-4qmeA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3m6wA-4trtA:
undetectable		 3m6wA-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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		5 GLY A 258
GLY A 257
PRO A 393
VAL A  88
LEU A  92
 None
 1.07A 3m6wA-4tvmA:
undetectable		 3m6wA-4tvmA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u33 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 GLY A 312
ASP A 326
PRO A 239
VAL A 341
LEU A 276
 None
 0.83A 3m6wA-4u33A:
undetectable		 3m6wA-4u33A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 ALA A 137
GLY A  62
LYS A  63
VAL A 141
VAL A 157
 None
 0.97A 3m6wA-4wy5A:
2.5		 3m6wA-4wy5A:
24.23
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.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		5 GLY A 246
GLY A 245
PRO A   5
VAL A  15
LEU A  89
 None
 0.93A 3m6wA-4zadA:
undetectable		 3m6wA-4zadA:
22.20
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.
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 3m6wA-5i61B:
undetectable		 3m6wA-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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1144
GLY A1145
PRO A1130
VAL A1073
LEU A1132
 None
 0.94A 3m6wA-5i8iA:
undetectable		 3m6wA-5i8iA:
13.61
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1167
VAL A1073
PRO A1130
VAL A1082
LEU A1123
 None
 0.98A 3m6wA-5i8iA:
undetectable		 3m6wA-5i8iA:
13.61
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.
5kh5 ISOPRENYL
TRANSFERASE

(Streptococcus
pneumoniae) 		PF01255
(Prenyltransf) 		5 ALA A  71
GLY A  29
GLY A  31
VAL A  69
LEU A 145
 None
 1.06A 3m6wA-5kh5A:
undetectable		 3m6wA-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.
5l35 GENE 5 PROTEIN

(Shigella virus
Sf6) 		PF11651
(P22_CoatProtein) 		5 ALA A 295
GLY A 417
GLY A 416
VAL A 268
VAL A 333
 None
 1.00A 3m6wA-5l35A:
undetectable		 3m6wA-5l35A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3m6wA-5mqmA:
undetectable		 3m6wA-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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA B 104
GLY B  99
ASP B 124
PRO B 141
VAL B 132
 None
 1.02A 3m6wA-5mrwB:
undetectable		 3m6wA-5mrwB:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PRO A 353
GLY A 414
PRO A 206
VAL A 176
LEU A 199
 None
 0.98A 3m6wA-5u1oA:
undetectable		 3m6wA-5u1oA:
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.
5uem 354NC37 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 GLY H  55
GLY H  56
ASP H  31
VAL H 102
LEU H   4
 None
 0.99A 3m6wA-5uemH:
undetectable		 3m6wA-5uemH:
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PRO A 358
GLY A 419
PRO A 212
VAL A 182
LEU A 205
 None
 0.99A 3m6wA-5vdnA:
2.4		 3m6wA-5vdnA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		6 PRO A 245
GLY A 246
GLY A 247
LYS A 248
PRO A 325
LEU A 354
 C  C  72 ( 4.7A)
None
None
C  C  72 ( 3.1A)
None
None
 0.46A 3m6wA-5wwtA:
33.6		 3m6wA-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.
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
 1.01A 3m6wA-6cczA:
2.9		 3m6wA-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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARC

(Acetobacterium
woodii) 		no annotation 5 PRO C  55
GLY C  60
GLY C  59
VAL C 166
LEU C 120
 None
 1.07A 3m6wA-6fahC:
undetectable		 3m6wA-6fahC:
undetectable