SIMILAR PATTERNS OF AMINO ACIDS FOR 3NMU_J_SAMJ228

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.
1ad1 DIHYDROPTEROATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00809
(Pterin_bind) 		5 TYR A 110
ALA A 107
ILE A 102
PHE A  86
ALA A  91
 None
 1.20A 3nmuB-1ad1A:
undetectable
3nmuJ-1ad1A:
undetectable		 3nmuB-1ad1A:
22.45
3nmuJ-1ad1A:
20.96
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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 218
ALA A 295
ILE A 216
ALA A 227
ASP A 243
 None
 1.18A 3nmuB-1bvuA:
0.0
3nmuJ-1bvuA:
3.3		 3nmuB-1bvuA:
21.37
3nmuJ-1bvuA:
19.86
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 GLU A 289
ALA A 217
ILE A 195
ALA A 211
GLN A 374
 None
 1.24A 3nmuB-1c7jA:
0.0
3nmuJ-1c7jA:
undetectable		 3nmuB-1c7jA:
22.44
3nmuJ-1c7jA:
18.33
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.
1cuk RUVA PROTEIN

(Escherichia
coli) 		PF01330
(RuvA_N)
PF07499
(RuvA_C)
PF14520
(HHH_5) 		5 GLU A  68
ALA A  95
ILE A  89
PHE A  72
ALA A  88
 None
 1.20A 3nmuB-1cukA:
undetectable
3nmuJ-1cukA:
undetectable		 3nmuB-1cukA:
23.06
3nmuJ-1cukA:
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.
1gqo DEHYDROQUINASE

(Bacillus
subtilis) 		PF01220
(DHquinase_II) 		5 GLU A  62
ALA A  59
ILE A  84
ALA A  83
ASP A  55
 None
 1.16A 3nmuB-1gqoA:
undetectable
3nmuJ-1gqoA:
undetectable		 3nmuB-1gqoA:
18.50
3nmuJ-1gqoA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 219
ALA A 296
ILE A 217
ALA A 228
ASP A 244
 None
None
None
None
SO4  A 420 (-3.9A)
 1.15A 3nmuB-1gtmA:
0.0
3nmuJ-1gtmA:
3.2		 3nmuB-1gtmA:
21.14
3nmuJ-1gtmA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzj EGI

(Thermoascus
aurantiacus) 		PF00150
(Cellulase) 		5 GLY A 152
ALA A 148
ILE A 153
PHE A 112
ALA A 117
 None
 1.06A 3nmuB-1gzjA:
0.2
3nmuJ-1gzjA:
undetectable		 3nmuB-1gzjA:
22.83
3nmuJ-1gzjA:
17.95
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.
1kxh ALPHA-AMYLASE

(Pseudoalteromonas
haloplanktis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 GLU A  56
GLY A  97
ALA A  99
ILE A  41
ALA A  91
 None
 1.22A 3nmuB-1kxhA:
0.0
3nmuJ-1kxhA:
undetectable		 3nmuB-1kxhA:
20.75
3nmuJ-1kxhA:
18.67
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.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		5 GLU A 229
GLY A 326
ALA A 323
ILE A 328
ALA A 331
 None
 1.17A 3nmuB-1l8wA:
1.7
3nmuJ-1l8wA:
undetectable		 3nmuB-1l8wA:
25.70
3nmuJ-1l8wA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLU B 404
ILE B 548
ALA B 545
ASP B 334
GLN B 331
 None
 1.08A 3nmuB-1m2vB:
1.6
3nmuJ-1m2vB:
undetectable		 3nmuB-1m2vB:
17.55
3nmuJ-1m2vB:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 GLY A  65
ALA A  67
GLU A  88
ALA A 114
ASP A 133
GLN A 136
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
 0.64A 3nmuB-1nt2A:
undetectable
3nmuJ-1nt2A:
31.3		 3nmuB-1nt2A:
21.39
3nmuJ-1nt2A:
42.80
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.
1nwa PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA

(Mycobacterium
tuberculosis) 		PF01625
(PMSR) 		5 GLU A  70
ILE A  56
PHE A  72
ALA A   7
ASP A  64
 None
 1.07A 3nmuB-1nwaA:
undetectable
3nmuJ-1nwaA:
undetectable		 3nmuB-1nwaA:
20.48
3nmuJ-1nwaA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7x CITRATE SYNTHASE

(Sulfolobus
solfataricus) 		PF00285
(Citrate_synt) 		5 GLU A 223
GLY A 317
ALA A 222
ILE A 318
ALA A 322
 None
 1.23A 3nmuB-1o7xA:
1.6
3nmuJ-1o7xA:
undetectable		 3nmuB-1o7xA:
22.86
3nmuJ-1o7xA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLU A 404
ILE A 548
ALA A 545
ASP A 334
GLN A 331
 None
 1.02A 3nmuB-1pd1A:
undetectable
3nmuJ-1pd1A:
undetectable		 3nmuB-1pd1A:
17.81
3nmuJ-1pd1A:
15.36
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.
1rc2 AQUAPORIN Z

(Escherichia
coli) 		no annotation 5 GLU B   8
GLY B  91
ALA B  87
ILE B  93
ALA B 192
 None
 0.91A 3nmuB-1rc2B:
undetectable
3nmuJ-1rc2B:
undetectable		 3nmuB-1rc2B:
19.89
3nmuJ-1rc2B:
23.81
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A  46
ALA A  47
ILE A  69
GLU A  70
ALA A 143
 AHZ  A 600 (-3.1A)
None
None
AHZ  A 600 (-2.7A)
AHZ  A 600 (-3.9A)
 1.06A 3nmuB-1rp0A:
undetectable
3nmuJ-1rp0A:
3.1		 3nmuB-1rp0A:
21.74
3nmuJ-1rp0A:
20.34
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.
1rvv RIBOFLAVIN SYNTHASE

(Bacillus
subtilis) 		no annotation 5 GLY A  55
ILE A  59
GLU A  58
PHE A  57
ALA A  96
 INI  A 200 (-3.4A)
None
INI  A 200 (-2.7A)
INI  A 200 (-4.9A)
None
 1.12A 3nmuB-1rvvA:
undetectable
3nmuJ-1rvvA:
undetectable		 3nmuB-1rvvA:
17.38
3nmuJ-1rvvA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLU A 184
TYR A 198
GLY A 273
ILE A 265
ALA A 130
 None
 0.79A 3nmuB-1v7vA:
2.1
3nmuJ-1v7vA:
undetectable		 3nmuB-1v7vA:
19.11
3nmuJ-1v7vA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdn GLUTAMINE BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 GLU A 145
ALA A 151
ALA A 124
ASP A 132
GLN A 135
 None
 1.09A 3nmuB-1wdnA:
undetectable
3nmuJ-1wdnA:
undetectable		 3nmuB-1wdnA:
20.05
3nmuJ-1wdnA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yd7 2-KETO
ACID:FERREDOXIN
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF01855
(POR_N) 		5 GLU A 186
GLY A  17
ILE A  21
PHE A 156
ALA A  22
 None
 1.16A 3nmuB-1yd7A:
undetectable
3nmuJ-1yd7A:
undetectable		 3nmuB-1yd7A:
23.33
3nmuJ-1yd7A:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z82 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 GLY A 187
ALA A 183
ILE A 188
PHE A 247
ALA A 252
 None
None
MRD  A 601 (-3.8A)
None
None
 1.08A 3nmuB-1z82A:
1.4
3nmuJ-1z82A:
4.3		 3nmuB-1z82A:
23.16
3nmuJ-1z82A:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		5 GLY A  13
ALA A  90
ILE A  11
ALA A  23
ASP A  37
 NAI  A1270 (-2.9A)
NAI  A1270 (-3.2A)
None
None
NAI  A1270 (-2.9A)
 1.08A 3nmuB-1zjyA:
undetectable
3nmuJ-1zjyA:
7.9		 3nmuB-1zjyA:
21.96
3nmuJ-1zjyA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		5 GLU A 288
TYR A 257
GLY A 290
ILE A 292
ALA A 253
 None
 1.15A 3nmuB-1zx5A:
undetectable
3nmuJ-1zx5A:
undetectable		 3nmuB-1zx5A:
22.34
3nmuJ-1zx5A:
23.03
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLY A  62
ALA A  64
GLU A  85
ALA A 114
ASP A 133
 None
 0.73A 3nmuB-2gpyA:
undetectable
3nmuJ-2gpyA:
13.4		 3nmuB-2gpyA:
20.93
3nmuJ-2gpyA:
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.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLY A  62
ALA A  64
ILE A  84
GLU A  85
ASP A 133
 None
 0.79A 3nmuB-2gpyA:
undetectable
3nmuJ-2gpyA:
13.4		 3nmuB-2gpyA:
20.93
3nmuJ-2gpyA:
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 GLU A 144
GLY A 427
ILE A 428
PHE A  72
ALA A  65
 MG  A 501 ( 1.9A)
None
None
None
None
 1.17A 3nmuB-2hgsA:
undetectable
3nmuJ-2hgsA:
undetectable		 3nmuB-2hgsA:
22.65
3nmuJ-2hgsA:
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.
2inr DNA TOPOISOMERASE 4
SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		5 GLU A 486
GLY A 222
ALA A 485
ILE A 220
ASP A 224
 None
 1.23A 3nmuB-2inrA:
2.2
3nmuJ-2inrA:
undetectable		 3nmuB-2inrA:
24.16
3nmuJ-2inrA:
21.27
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.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		6 GLY A 168
ALA A 170
GLU A 192
ALA A 218
ASP A 237
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.48A 3nmuB-2ipxA:
undetectable
3nmuJ-2ipxA:
35.4		 3nmuB-2ipxA:
23.00
3nmuJ-2ipxA:
49.17
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 5 GLU A 192
TYR A 193
ILE A 180
ALA A 213
ASP A 254
 None
 0.92A 3nmuB-2jdxA:
undetectable
3nmuJ-2jdxA:
undetectable		 3nmuB-2jdxA:
19.32
3nmuJ-2jdxA:
19.17
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.
2pby GLUTAMINASE

(Geobacillus
kaustophilus) 		PF04960
(Glutaminase) 		5 GLU A  39
GLY A  55
ILE A  42
PHE A 279
ALA A  43
 None
 1.24A 3nmuB-2pbyA:
undetectable
3nmuJ-2pbyA:
undetectable		 3nmuB-2pbyA:
23.33
3nmuJ-2pbyA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		5 GLY A 233
ILE A 257
GLU A 258
ALA A 290
ASP A 341
 UNL  A 414 (-4.0A)
UNL  A 414 (-4.3A)
None
UNL  A 414 (-3.9A)
None
 0.46A 3nmuB-2py6A:
undetectable
3nmuJ-2py6A:
9.9		 3nmuB-2py6A:
20.81
3nmuJ-2py6A:
18.55
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.
2qwz PHENYLACETIC ACID
DEGRADATION-RELATED
PROTEIN

(Ruegeria sp.
TM1040) 		PF03061
(4HBT) 		5 GLU A  15
GLY A   9
ALA A  12
ALA A  71
ASP A   8
 None
 1.23A 3nmuB-2qwzA:
undetectable
3nmuJ-2qwzA:
undetectable		 3nmuB-2qwzA:
19.12
3nmuJ-2qwzA:
23.55
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		6 GLU A 404
TYR A 322
GLY A 308
ILE A 307
ALA A 306
ASP A 313
 BTB  A 620 (-4.0A)
None
None
None
None
None
 1.29A 3nmuB-2vn7A:
2.4
3nmuJ-2vn7A:
undetectable		 3nmuB-2vn7A:
21.17
3nmuJ-2vn7A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x06 L-SULFOLACTATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF02615
(Ldh_2) 		5 GLU A 125
TYR A 123
GLY A 134
ALA A 162
ILE A 265
 None
 1.16A 3nmuB-2x06A:
undetectable
3nmuJ-2x06A:
undetectable		 3nmuB-2x06A:
20.36
3nmuJ-2x06A:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		5 TYR A 266
GLY A  13
ALA A  14
ILE A 272
ALA A 271
 None
 1.02A 3nmuB-2yzwA:
undetectable
3nmuJ-2yzwA:
undetectable		 3nmuB-2yzwA:
24.43
3nmuJ-2yzwA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zo7 CYAN/GREEN-EMITTING
GFP-LIKE PROTEIN,
KUSABIRA-CYAN MUTANT
(KCY-R1)

(Verrillofungia
concinna) 		PF01353
(GFP) 		5 TYR A 177
GLY A 151
ILE A 183
ALA A 179
ASP A 150
 None
 1.21A 3nmuB-2zo7A:
undetectable
3nmuJ-2zo7A:
undetectable		 3nmuB-2zo7A:
20.94
3nmuJ-2zo7A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3agf GLUTAMINASE 1

(Bacillus
subtilis) 		PF04960
(Glutaminase) 		5 GLU A  23
GLY A  50
ALA A  63
ILE A 297
ASP A  65
 None
 1.20A 3nmuB-3agfA:
undetectable
3nmuJ-3agfA:
undetectable		 3nmuB-3agfA:
24.56
3nmuJ-3agfA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3agf GLUTAMINASE 1

(Bacillus
subtilis) 		PF04960
(Glutaminase) 		5 GLU A  23
TYR A  25
GLY A  50
ALA A  63
ASP A  65
 None
 1.23A 3nmuB-3agfA:
undetectable
3nmuJ-3agfA:
undetectable		 3nmuB-3agfA:
24.56
3nmuJ-3agfA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 TYR A 626
GLY A 673
ALA A 623
ILE A 711
ALA A 712
 None
 0.87A 3nmuB-3eqnA:
undetectable
3nmuJ-3eqnA:
undetectable		 3nmuB-3eqnA:
17.10
3nmuJ-3eqnA:
14.64
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 GLY A 143
ILE A 145
ALA A 135
ASP A 115
GLN A 112
 None
 1.22A 3nmuB-3g5tA:
undetectable
3nmuJ-3g5tA:
9.9		 3nmuB-3g5tA:
21.05
3nmuJ-3g5tA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5t AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00202
(Aminotran_3) 		5 TYR A 255
ALA A 220
ILE A 211
PHE A 222
ASP A 252
 None
 1.09A 3nmuB-3i5tA:
undetectable
3nmuJ-3i5tA:
undetectable		 3nmuB-3i5tA:
20.98
3nmuJ-3i5tA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 228
ALA A 303
ILE A 226
ALA A 237
ASP A 252
 None
 1.23A 3nmuB-3k92A:
undetectable
3nmuJ-3k92A:
3.8		 3nmuB-3k92A:
22.12
3nmuJ-3k92A:
22.17
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.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		5 GLU A 352
ILE A 175
GLU A 133
PHE A 350
ALA A 197
 None
 1.19A 3nmuB-3lm3A:
undetectable
3nmuJ-3lm3A:
undetectable		 3nmuB-3lm3A:
22.54
3nmuJ-3lm3A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 GLU A 170
GLY A 172
ALA A 169
ILE A 213
ALA A 124
 None
 1.22A 3nmuB-3mq2A:
undetectable
3nmuJ-3mq2A:
11.6		 3nmuB-3mq2A:
19.69
3nmuJ-3mq2A:
25.57
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 GLY A  79
ILE A 101
GLU A 102
ALA A 131
ASP A 149
 None
 0.89A 3nmuB-3ntvA:
undetectable
3nmuJ-3ntvA:
13.5		 3nmuB-3ntvA:
23.08
3nmuJ-3ntvA:
24.71
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.
3oac GERANYL DIPHOSPHATE
SYNTHASE SMALL
SUBUNIT

(Mentha x
piperita) 		no annotation 5 GLU B 181
TYR B 179
GLY B 146
ALA B 145
ALA B  76
 None
 1.23A 3nmuB-3oacB:
undetectable
3nmuJ-3oacB:
undetectable		 3nmuB-3oacB:
22.78
3nmuJ-3oacB:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13306
(LRR_5) 		5 GLY A 333
ILE A 308
ALA A 312
ASP A 334
GLN A 286
 None
 0.95A 3nmuB-3sb4A:
undetectable
3nmuJ-3sb4A:
undetectable		 3nmuB-3sb4A:
22.86
3nmuJ-3sb4A:
24.05
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.
3sdi PROTEASOME COMPONENT
PRE5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 TYR E  91
ILE E 138
ALA E 112
ASP E  71
GLN E  95
 None
 1.22A 3nmuB-3sdiE:
undetectable
3nmuJ-3sdiE:
undetectable		 3nmuB-3sdiE:
23.08
3nmuJ-3sdiE:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLY A 447
ALA A 449
ILE A 459
PHE A  68
ASP A 443
 None
 1.01A 3nmuB-3sghA:
0.6
3nmuJ-3sghA:
undetectable		 3nmuB-3sghA:
21.08
3nmuJ-3sghA:
18.67
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 GLU A 311
TYR A 312
GLY A 376
PHE A 313
GLN A 316
 None
 1.21A 3nmuB-3w3aA:
undetectable
3nmuJ-3w3aA:
undetectable		 3nmuB-3w3aA:
22.56
3nmuJ-3w3aA:
17.86
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.
3wpw POMB

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 TYR A 241
GLY A 274
ALA A 276
ALA A 252
GLN A 250
 None
 1.06A 3nmuB-3wpwA:
undetectable
3nmuJ-3wpwA:
undetectable		 3nmuB-3wpwA:
18.44
3nmuJ-3wpwA:
17.92
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		5 GLU A 221
GLY A 224
ALA A 222
ILE A  63
ASP A 219
 None
 1.21A 3nmuB-3wrtA:
undetectable
3nmuJ-3wrtA:
undetectable		 3nmuB-3wrtA:
23.80
3nmuJ-3wrtA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  12
ALA A  81
ILE A  10
ALA A  21
ASP A  37
 None
 1.22A 3nmuB-3wsvA:
undetectable
3nmuJ-3wsvA:
3.4		 3nmuB-3wsvA:
23.33
3nmuJ-3wsvA:
24.16
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.
4ayi LIPOPROTEIN GNA1870
CCOMPND 7

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 GLY D 159
ILE D 176
GLU D 177
ASP D 142
GLN D 162
 None
 1.00A 3nmuB-4ayiD:
undetectable
3nmuJ-4ayiD:
undetectable		 3nmuB-4ayiD:
21.41
3nmuJ-4ayiD:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
ILE E 104
GLU E 105
PHE E 106
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
None
G  A  24 ( 3.0A)
 0.77A 3nmuB-4by9E:
undetectable
3nmuJ-4by9E:
34.8		 3nmuB-4by9E:
22.51
3nmuJ-4by9E:
97.01
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.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ALA E  83
ILE E 104
PHE E 106
ALA E 131
GLN E 153
 None
C  X   5 ( 2.4A)
None
None
None
G  A  24 ( 3.0A)
 0.83A 3nmuB-4by9E:
undetectable
3nmuJ-4by9E:
34.8		 3nmuB-4by9E:
22.51
3nmuJ-4by9E:
97.01
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.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ILE E 104
GLU E 105
PHE E 106
ASP E 150
GLN E 153
 None
None
None
None
C  X   5 ( 3.2A)
G  A  24 ( 3.0A)
 0.81A 3nmuB-4by9E:
undetectable
3nmuJ-4by9E:
34.8		 3nmuB-4by9E:
22.51
3nmuJ-4by9E:
97.01
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.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 GLY E  81
ILE E 104
PHE E 106
ALA E 131
ASP E 150
GLN E 153
 None
None
None
None
C  X   5 ( 3.2A)
G  A  24 ( 3.0A)
 0.92A 3nmuB-4by9E:
undetectable
3nmuJ-4by9E:
34.8		 3nmuB-4by9E:
22.51
3nmuJ-4by9E:
97.01
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.
4d25 BMVLG PROTEIN

(Bombyx mori) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLU A 276
GLY A 229
ALA A 232
ILE A 206
ALA A 224
 ANP  A1564 ( 4.5A)
ANP  A1564 (-3.5A)
ANP  A1564 ( 4.6A)
None
None
 1.17A 3nmuB-4d25A:
undetectable
3nmuJ-4d25A:
3.2		 3nmuB-4d25A:
22.93
3nmuJ-4d25A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Vibrio
vulnificus) 		PF00480
(ROK) 		5 GLY A 142
ILE A 139
PHE A 298
ALA A 114
GLN A 120
 None
 1.22A 3nmuB-4db3A:
3.4
3nmuJ-4db3A:
undetectable		 3nmuB-4db3A:
24.56
3nmuJ-4db3A:
24.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		6 GLY A  85
ALA A  87
GLU A 109
ALA A 135
ASP A 154
GLN A 157
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
 0.41A 3nmuB-4df3A:
undetectable
3nmuJ-4df3A:
32.8		 3nmuB-4df3A:
22.65
3nmuJ-4df3A:
53.59
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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 GLU A 135
GLY A 168
ILE A 166
GLU A 167
ALA A 148
 TRS  A 401 (-2.9A)
None
None
None
None
 1.14A 3nmuB-4ee9A:
undetectable
3nmuJ-4ee9A:
undetectable		 3nmuB-4ee9A:
23.97
3nmuJ-4ee9A:
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.
4f8x ENDO-1,4-BETA-XYLANA
SE

(Penicillium
canescens) 		PF00331
(Glyco_hydro_10) 		5 GLU A 291
TYR A 293
GLY A 244
ILE A 242
GLN A 289
 None
 1.08A 3nmuB-4f8xA:
undetectable
3nmuJ-4f8xA:
undetectable		 3nmuB-4f8xA:
23.00
3nmuJ-4f8xA:
21.92
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 TYR A 702
GLY A 635
ALA A 695
ALA A 640
GLN A 647
 None
 1.12A 3nmuB-4fgvA:
1.5
3nmuJ-4fgvA:
undetectable		 3nmuB-4fgvA:
17.48
3nmuJ-4fgvA:
11.97
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.
4fn7 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 GLY A  61
ALA A  25
ILE A 105
PHE A  58
ALA A 109
 None
 1.14A 3nmuB-4fn7A:
1.1
3nmuJ-4fn7A:
undetectable		 3nmuB-4fn7A:
21.74
3nmuJ-4fn7A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hq6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TYR A 568
ALA A 498
ILE A 538
ALA A 539
ASP A 573
 None
 1.12A 3nmuB-4hq6A:
undetectable
3nmuJ-4hq6A:
undetectable		 3nmuB-4hq6A:
21.24
3nmuJ-4hq6A:
18.36
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.
4kpg MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 ILE A 181
GLU A 203
ALA A 178
ASP A 243
GLN A 176
 None
 1.19A 3nmuB-4kpgA:
undetectable
3nmuJ-4kpgA:
undetectable		 3nmuB-4kpgA:
22.94
3nmuJ-4kpgA:
21.81
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		5 GLU A 144
GLY A 176
ILE A 174
GLU A 175
ALA A 156
 TRS  A 401 (-1.8A)
None
None
None
None
 1.11A 3nmuB-4lx4A:
undetectable
3nmuJ-4lx4A:
undetectable		 3nmuB-4lx4A:
21.60
3nmuJ-4lx4A:
21.15
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.
4m85 N-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		5 GLU A  42
ALA A  14
ILE A  57
ALA A   5
ASP A  12
 None
 1.15A 3nmuB-4m85A:
undetectable
3nmuJ-4m85A:
undetectable		 3nmuB-4m85A:
19.74
3nmuJ-4m85A:
23.46
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.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		5 GLY A 127
ALA A 124
ILE A 128
GLU A  87
ALA A  80
 None
 1.12A 3nmuB-4n0lA:
0.9
3nmuJ-4n0lA:
undetectable		 3nmuB-4n0lA:
22.08
3nmuJ-4n0lA:
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.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		5 GLY A  18
ALA A  15
ILE A  17
ALA A 219
GLN A  23
 None
 1.18A 3nmuB-4nbvA:
undetectable
3nmuJ-4nbvA:
8.0		 3nmuB-4nbvA:
21.99
3nmuJ-4nbvA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox8 CARBON
DIOXIDE-CONCENTRATIN
G MECHANISM PROTEIN
CCMK

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 GLU A  23
GLY A  65
ALA A  27
ALA A  79
ASP A  67
 None
 1.11A 3nmuB-4ox8A:
undetectable
3nmuJ-4ox8A:
undetectable		 3nmuB-4ox8A:
18.59
3nmuJ-4ox8A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
ILE A  87
GLU A  88
ALA A 117
ASP A 136
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-2.6A)
SAM  A 301 (-3.3A)
MN  A 303 ( 2.7A)
 0.62A 3nmuB-4pclA:
undetectable
3nmuJ-4pclA:
13.8		 3nmuB-4pclA:
21.43
3nmuJ-4pclA:
26.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A 232
GLY A 236
ALA A 235
ILE A 189
ALA A 173
 None
 1.20A 3nmuB-4x28A:
2.6
3nmuJ-4x28A:
undetectable		 3nmuB-4x28A:
22.73
3nmuJ-4x28A:
21.23
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.
4xuy PROBABLE
ENDO-1,4-BETA-XYLANA
SE C

(Aspergillus
niger) 		PF00331
(Glyco_hydro_10) 		5 GLY A 246
ALA A 205
ILE A 244
ALA A 280
GLN A 284
 None
 1.21A 3nmuB-4xuyA:
undetectable
3nmuJ-4xuyA:
undetectable		 3nmuB-4xuyA:
23.53
3nmuJ-4xuyA:
22.52
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.
4ycs UNCHARACTERIZED
PROTEIN

(Clostridioides
difficile) 		PF02608
(Bmp) 		5 GLY A 114
ALA A 115
ILE A 136
ALA A  69
ASP A  56
 None
 1.15A 3nmuB-4ycsA:
undetectable
3nmuJ-4ycsA:
3.0		 3nmuB-4ycsA:
14.99
3nmuJ-4ycsA:
19.23
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.
4ycs UNCHARACTERIZED
PROTEIN

(Clostridioides
difficile) 		PF02608
(Bmp) 		5 TYR A 152
GLY A 114
ALA A 115
ALA A  69
ASP A  56
 GOL  A 201 ( 4.4A)
None
None
None
None
 1.17A 3nmuB-4ycsA:
undetectable
3nmuJ-4ycsA:
3.0		 3nmuB-4ycsA:
14.99
3nmuJ-4ycsA:
19.23
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.
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 GLY A  62
GLU A 110
PHE A  64
ALA A 112
ASP A  61
 None
 1.25A 3nmuB-4zu2A:
undetectable
3nmuJ-4zu2A:
undetectable		 3nmuB-4zu2A:
22.53
3nmuJ-4zu2A:
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 GLY A 323
ALA A 274
ILE A 324
PHE A 280
ALA A  31
 None
 1.24A 3nmuB-5bwiA:
0.8
3nmuJ-5bwiA:
undetectable		 3nmuB-5bwiA:
20.41
3nmuJ-5bwiA:
17.55
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		5 TYR A 111
LYS A   2
ILE A 114
ALA A 107
ASP A  89
 GOL  A 508 ( 4.1A)
None
None
None
None
 1.11A 3nmuB-5dldA:
1.9
3nmuJ-5dldA:
3.6		 3nmuB-5dldA:
23.33
3nmuJ-5dldA:
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 TYR A  22
GLY A 557
ALA A 578
ILE A 560
ALA A 499
 None
 1.17A 3nmuB-5e6sA:
undetectable
3nmuJ-5e6sA:
undetectable		 3nmuB-5e6sA:
19.05
3nmuJ-5e6sA:
14.36
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		6 GLY E  84
ALA E  86
GLU E 108
ALA E 134
ASP E 153
GLN E 156
 SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.0A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 (-3.8A)
 0.46A 3nmuB-5ginE:
undetectable
3nmuJ-5ginE:
36.5		 3nmuB-5ginE:
22.51
3nmuJ-5ginE:
50.00
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.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		5 GLY A 161
ALA A 157
ILE A 162
PHE A 121
ALA A 126
 None
 1.06A 3nmuB-5i6sA:
undetectable
3nmuJ-5i6sA:
undetectable		 3nmuB-5i6sA:
20.40
3nmuJ-5i6sA:
20.06
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.
5j49 UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Paraburkholderia
xenovorans) 		PF00483
(NTP_transferase) 		5 GLU A  44
TYR A 137
ALA A  41
ILE A  32
ALA A 265
 None
 1.17A 3nmuB-5j49A:
undetectable
3nmuJ-5j49A:
undetectable		 3nmuB-5j49A:
24.68
3nmuJ-5j49A:
26.03
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.
5l7v GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13320
(DUF4091) 		5 ALA A 200
ILE A 507
GLU A 511
ALA A 450
ASP A 459
 None
 1.10A 3nmuB-5l7vA:
undetectable
3nmuJ-5l7vA:
undetectable		 3nmuB-5l7vA:
20.58
3nmuJ-5l7vA:
16.43
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLY A  65
ILE A  88
GLU A  89
ALA A 118
ASP A 139
 SAM  A 306 (-3.2A)
SAM  A 306 ( 4.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-3.5A)
SAM  A 306 (-2.3A)
 0.57A 3nmuB-5n5dA:
undetectable
3nmuJ-5n5dA:
14.2		 3nmuB-5n5dA:
20.57
3nmuJ-5n5dA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		5 GLU A 240
GLY A 246
ALA A 242
ILE A 248
ALA A 253
 None
 1.09A 3nmuB-5u4oA:
undetectable
3nmuJ-5u4oA:
undetectable		 3nmuB-5u4oA:
21.69
3nmuJ-5u4oA:
18.74
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.
5u9p GLUCONATE
5-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A  19
ALA A  97
ILE A  17
ALA A  29
ASP A  43
 NAP  A 301 (-3.7A)
NAP  A 301 (-3.6A)
None
None
NAP  A 301 ( 4.2A)
 1.15A 3nmuB-5u9pA:
undetectable
3nmuJ-5u9pA:
7.7		 3nmuB-5u9pA:
22.51
3nmuJ-5u9pA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhd RNA POLYMERASE SIGMA
FACTOR SIGA

(Mycobacterium
tuberculosis) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 GLY F 288
ALA F 291
ILE F 284
ALA F 259
ASP F 289
 None
 1.12A 3nmuB-5uhdF:
3.0
3nmuJ-5uhdF:
undetectable		 3nmuB-5uhdF:
22.24
3nmuJ-5uhdF:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 5 GLU A  84
GLY A 119
ALA A 118
ILE A 116
ALA A  51
 None
 1.22A 3nmuB-5xb6A:
undetectable
3nmuJ-5xb6A:
2.7		 3nmuB-5xb6A:
undetectable
3nmuJ-5xb6A:
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.
5xn6 OS07G0580900 PROTEIN

(Oryza sativa) 		PF00348
(polyprenyl_synt) 		5 GLU A 196
GLY A 224
ALA A 192
ILE A 300
ALA A 297
 None
 1.14A 3nmuB-5xn6A:
3.1
3nmuJ-5xn6A:
undetectable		 3nmuB-5xn6A:
20.88
3nmuJ-5xn6A:
19.29
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLU A 386
GLY A 126
ILE A 159
ALA A 156
ASP A 125
 LLP  A  78 ( 3.5A)
PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-4.5A)
 1.15A 3nmuB-5ygrA:
undetectable
3nmuJ-5ygrA:
undetectable		 3nmuB-5ygrA:
undetectable
3nmuJ-5ygrA:
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.
5yrz HICB

(Streptococcus
pneumoniae) 		no annotation 5 GLU A  40
TYR A  21
GLY A  45
ALA A  43
ALA A   7
 None
 1.10A 3nmuB-5yrzA:
undetectable
3nmuJ-5yrzA:
undetectable		 3nmuB-5yrzA:
undetectable
3nmuJ-5yrzA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLY A  62
ALA A  64
ILE A  84
GLU A  85
ALA A 114
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 ( 4.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
 0.71A 3nmuB-5zw4A:
undetectable
3nmuJ-5zw4A:
14.5		 3nmuB-5zw4A:
undetectable
3nmuJ-5zw4A:
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.
6az0 MITOCHONDRIAL INNER
MEMBRANE I-AAA
PROTEASE
SUPERCOMPLEX SUBUNIT
YME1

(Saccharomyces
cerevisiae) 		no annotation 5 GLU A 541
GLY A 598
ILE A 600
ALA A 674
ASP A 618
 None
None
None
None
ZN  A 802 (-2.1A)
 1.08A 3nmuB-6az0A:
undetectable
3nmuJ-6az0A:
undetectable		 3nmuB-6az0A:
24.90
3nmuJ-6az0A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cao -

(-) 		no annotation 5 TYR K  59
GLY K  90
ALA K  89
ALA K  65
GLN K  62
 None
 1.15A 3nmuB-6caoK:
4.2
3nmuJ-6caoK:
undetectable		 3nmuB-6caoK:
14.40
3nmuJ-6caoK:
19.75
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 GLU A 432
TYR A 348
GLY A 334
ALA A 332
ASP A 339
 ACR  A 801 (-4.4A)
None
None
None
None
 1.21A 3nmuB-6fhwA:
undetectable
3nmuJ-6fhwA:
undetectable		 3nmuB-6fhwA:
undetectable
3nmuJ-6fhwA:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 ALA A 868
ILE A 980
PHE A 982
ALA A 979
GLN A 724
 None
None
ZQU  A1305 ( 4.6A)
None
ZQU  A1304 (-4.2A)
 1.24A 3nmuB-6fn1A:
3.4
3nmuJ-6fn1A:
undetectable		 3nmuB-6fn1A:
undetectable
3nmuJ-6fn1A:
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 GLU A 424
GLY A 328
PHE A 342
ALA A 326
ASP A 333
 None
 1.23A 3nmuB-6frvA:
undetectable
3nmuJ-6frvA:
undetectable		 3nmuB-6frvA:
undetectable
3nmuJ-6frvA:
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)

(Homo sapiens) 		no annotation 5 GLU A 473
GLY A 478
ALA A 476
ILE A 378
ALA A 131
 None
 1.23A 3nmuB-6gctA:
2.0
3nmuJ-6gctA:
undetectable		 3nmuB-6gctA:
undetectable
3nmuJ-6gctA:
undetectable