SIMILAR PATTERNS OF AMINO ACIDS FOR 2NXE_A_SAMA302_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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 129
GLY A 134
LEU A 157
ILE A 270
LEU A 241
 FAD  A 600 (-3.0A)
None
None
None
None
 0.86A 2nxeA-1bhyA:
undetectable		 2nxeA-1bhyA:
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		7 PHE A  35
ASP A  61
LEU A  62
GLY A  63
GLY A  65
ILE A  85
ASN A 129
 None
 0.60A 2nxeA-1dusA:
18.4		 2nxeA-1dusA:
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.
1gl6 ATPASE

(Escherichia
coli) 		PF10412
(TrwB_AAD_bind) 		6 LEU A 127
GLY A 384
LEU A 413
ILE A 355
LEU A 385
LEU A 391
 None
 1.47A 2nxeA-1gl6A:
3.0		 2nxeA-1gl6A:
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		6 PHE A  42
GLY A  29
ASP A  26
ASN A 118
LEU A  30
LEU A 122
 None
 1.43A 2nxeA-1izeA:
undetectable		 2nxeA-1izeA:
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		6 GLY A 465
ASP A 459
LEU A 420
GLY A 421
ASP A 424
LEU A 384
 None
 1.38A 2nxeA-1j0hA:
undetectable		 2nxeA-1j0hA:
19.45
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		6 GLY A 466
ASP A 459
LEU A 420
GLY A 421
ASP A 424
LEU A 384
 None
 1.37A 2nxeA-1j0hA:
undetectable		 2nxeA-1j0hA:
19.45
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.
1jeq KU70

(Homo sapiens) 		PF02037
(SAP)
PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N) 		5 ASP A 195
LEU A 193
GLY A 191
ILE A 220
ASP A 219
 None
 0.78A 2nxeA-1jeqA:
2.2		 2nxeA-1jeqA:
18.91
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.
1mwi G/U
MISMATCH-SPECIFIC
DNA GLYCOSYLASE

(Escherichia
coli) 		PF03167
(UDG) 		5 GLY A 143
LEU A 138
ILE A  41
ASN A 140
LEU A 107
 None
 0.88A 2nxeA-1mwiA:
undetectable		 2nxeA-1mwiA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		7 ASP A  54
GLY A  56
GLY A  58
LEU A  62
ILE A  79
ASP A  80
ASN A 114
 None
 0.55A 2nxeA-1ne2A:
17.4		 2nxeA-1ne2A:
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.
1nvm ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)

(Pseudomonas sp.
CF600) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 165
LEU B  19
GLY B  16
GLY B  13
LEU B 103
 NAD  B3501 (-3.6A)
None
None
NAD  B3501 (-3.4A)
None
 0.89A 2nxeA-1nvmB:
6.8		 2nxeA-1nvmB:
23.72
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A1281
LEU A1365
GLY A1334
ILE A1360
ASN A1317
 None
 0.93A 2nxeA-1ofeA:
2.8		 2nxeA-1ofeA:
11.51
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 GLY A  45
GLY A  47
LEU A  51
ASP A  68
ASN A 113
 None
 0.60A 2nxeA-1qyrA:
12.8		 2nxeA-1qyrA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r3f TRNA PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF01509
(TruB_N)
PF09157
(TruB-C_2)
PF16198
(TruB_C_2) 		6 GLY A 192
GLY A 188
ILE A 183
ASP A 186
LEU A 112
LEU A 158
 None
 1.33A 2nxeA-1r3fA:
2.1		 2nxeA-1r3fA:
23.22
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 PHE A 100
ASP A 127
GLY A 129
GLY A 131
ASN A 197
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
GLN  A 400 ( 3.1A)
 0.34A 2nxeA-1sg9A:
16.5		 2nxeA-1sg9A:
25.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		6 ASP A 397
GLY A 399
GLY A 401
ILE A 423
ASN A 479
LEU A 487
 SAH  A 801 (-3.0A)
SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-3.7A)
SAH  A 801 (-4.4A)
SAH  A 801 ( 4.9A)
 0.55A 2nxeA-1u2zA:
8.7		 2nxeA-1u2zA:
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		6 ASP A 397
GLY A 399
LEU A 477
ILE A 423
ASN A 479
LEU A 487
 SAH  A 801 (-3.0A)
SAH  A 801 (-3.1A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-4.4A)
SAH  A 801 ( 4.9A)
 1.12A 2nxeA-1u2zA:
8.7		 2nxeA-1u2zA:
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 ASP A 397
LEU A 398
GLY A 399
GLY A 401
ASN A 479
 SAH  A 801 (-3.0A)
None
SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-4.4A)
 0.65A 2nxeA-1u2zA:
8.7		 2nxeA-1u2zA:
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.
1ux8 YJBI PROTEIN

(Bacillus
subtilis) 		PF01152
(Bac_globin) 		5 LEU A  53
GLY A  59
LEU A  62
LEU A  17
LEU A  20
 HEM  A 700 (-4.9A)
None
None
None
None
 0.93A 2nxeA-1ux8A:
undetectable		 2nxeA-1ux8A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		6 GLY A 235
LEU A  69
GLY A 210
ILE A  35
ASN A 183
LEU A  14
 None
None
None
None
ZN  A 372 ( 4.7A)
None
 1.27A 2nxeA-1vheA:
undetectable		 2nxeA-1vheA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 ASP A  55
GLY A  57
GLY A  59
LEU A  63
ASP A  81
ASN A 119
 SAH  A1001 ( 4.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 4.3A)
None
SAH  A1001 (-4.6A)
 0.47A 2nxeA-1wy7A:
16.4		 2nxeA-1wy7A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 ASP A  55
LEU A  56
GLY A  57
GLY A  59
LEU A  63
ASN A 119
 SAH  A1001 ( 4.5A)
None
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-4.6A)
 0.77A 2nxeA-1wy7A:
16.4		 2nxeA-1wy7A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 PHE A 119
GLY A 120
LEU A 310
LEU A 342
LEU A 325
 None
 0.88A 2nxeA-1yt8A:
undetectable		 2nxeA-1yt8A:
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ASP A 115
LEU A 116
GLY A 117
GLY A 119
ASN A 183
 None
None
SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.9A)
 0.56A 2nxeA-2b3tA:
19.0		 2nxeA-2b3tA:
27.05
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.
2b7h HEMOGLOBIN BETA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		5 GLY B  83
LEU B  75
GLY B  74
LEU B  78
LEU B   3
 None
 0.93A 2nxeA-2b7hB:
undetectable		 2nxeA-2b7hB:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e9w MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF00047
(ig) 		6 LEU A 184
GLY A 150
GLY A 153
LEU A 196
LEU A 156
LEU A 160
 None
 1.47A 2nxeA-2e9wA:
undetectable		 2nxeA-2e9wA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		6 GLY A 136
LEU A 146
GLY A 143
ASN A 132
LEU A 130
LEU A 154
 None
 1.31A 2nxeA-2f5xA:
undetectable		 2nxeA-2f5xA:
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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		6 ASP A 298
LEU A   6
GLY A   7
GLY A   9
ASP A  67
LEU A  35
 None
None
None
None
ZN  A 401 (-2.6A)
None
 1.37A 2nxeA-2fk6A:
undetectable		 2nxeA-2fk6A:
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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 ASP A  58
GLY A  62
LEU A  66
ASP A  84
LEU A 134
 None
None
None
None
CL  A 401 (-4.5A)
 0.69A 2nxeA-2fpoA:
15.6		 2nxeA-2fpoA:
23.83
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 GLY A 190
LEU A  17
GLY A  14
GLY A  11
LEU A 309
LEU A 102
 SO4  A 405 (-3.3A)
None
None
SO4  A 405 (-3.1A)
None
None
 1.28A 2nxeA-2g17A:
4.3		 2nxeA-2g17A:
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 ASP A  71
GLY A  73
GLY A  75
ASP A  98
ASN A 147
 SAH  A 300 ( 4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
None
SAH  A 300 (-3.9A)
 0.41A 2nxeA-2h00A:
9.1		 2nxeA-2h00A:
20.22
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.
2ift PUTATIVE METHYLASE
HI0767

(Haemophilus
influenzae) 		PF03602
(Cons_hypoth95) 		5 ASP A  59
GLY A  63
LEU A  67
ASP A  85
LEU A 139
 None
 0.88A 2nxeA-2iftA:
13.5		 2nxeA-2iftA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ASP A 173
GLY A 175
GLY A 177
LEU A 181
LEU A 246
 None
 0.85A 2nxeA-2ip2A:
15.2		 2nxeA-2ip2A:
25.45
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.
2ml1 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind) 		6 GLY A  24
ASP A  62
GLY A  39
GLY A  22
ILE A  19
LEU A  46
 CA  A 203 (-4.5A)
CA  A 205 (-3.3A)
CA  A 205 (-4.2A)
CA  A 201 (-4.3A)
None
None
 1.23A 2nxeA-2ml1A:
undetectable		 2nxeA-2ml1A:
21.26
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.
2o7p RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 PHE A 146
GLY A 145
GLY A 289
ILE A 230
LEU A 279
 None
 0.84A 2nxeA-2o7pA:
2.2		 2nxeA-2o7pA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 218
GLY A 243
ILE A 246
ASP A 245
LEU A 237
LEU A 261
 None
 1.04A 2nxeA-2obyA:
10.9		 2nxeA-2obyA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogp PARTITIONING-DEFECTI
VE 3 HOMOLOG

(Rattus
norvegicus) 		PF00595
(PDZ) 		6 GLY A  30
ASP A  65
LEU A  68
GLY A  60
LEU A 105
LEU A  74
 None
 1.44A 2nxeA-2ogpA:
undetectable		 2nxeA-2ogpA:
19.67
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		5 ASP A 202
GLY A 204
GLY A 206
LEU A 210
ASN A 268
 None
 0.51A 2nxeA-2pjdA:
18.5		 2nxeA-2pjdA:
23.73
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.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 LEU A 278
GLY A 226
ASP A 223
LEU A 254
LEU A 258
 None
 0.81A 2nxeA-2pmiA:
2.3		 2nxeA-2pmiA:
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 GLY A  96
ASP A 302
LEU A 276
GLY A 278
GLY A 221
LEU A 285
 None
SO4  A2009 (-2.9A)
None
SO4  A2009 ( 4.0A)
EDO  A5002 ( 3.8A)
None
 1.40A 2nxeA-2q27A:
2.4		 2nxeA-2q27A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A  82
GLY A  84
GLY A  86
ILE A 111
ASP A 112
 None
SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-3.7A)
None
 0.49A 2nxeA-2qe6A:
11.7		 2nxeA-2qe6A:
25.91
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A  82
LEU A  83
GLY A  84
GLY A  86
ASP A 112
 None
None
SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
None
 0.75A 2nxeA-2qe6A:
11.7		 2nxeA-2qe6A:
25.91
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A  82
LEU A  83
GLY A  84
GLY A  86
LEU A 169
 None
None
SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
None
 0.80A 2nxeA-2qe6A:
11.7		 2nxeA-2qe6A:
25.91
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 313
ASP A 265
GLY A 278
GLY A 276
LEU A 285
 None
 0.88A 2nxeA-2rjtA:
undetectable		 2nxeA-2rjtA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 ASP E 101
GLY E 103
GLY E 105
LEU E 109
ILE E 127
 SAM  E1287 ( 4.9A)
SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
None
SAM  E1287 (-3.8A)
 0.91A 2nxeA-2vdvE:
10.4		 2nxeA-2vdvE:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		6 LEU A 539
GLY A 535
GLY A 533
ASN A 511
LEU A 513
LEU A 516
 None
ADP  A1844 (-3.2A)
ADP  A1844 (-3.3A)
ADP  A1844 (-3.6A)
None
None
 1.04A 2nxeA-2vf8A:
undetectable		 2nxeA-2vf8A:
16.75
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.
2yv1 SUCCINYL-COA LIGASE
[ADP-FORMING]
SUBUNIT ALPHA

(Methanocaldococcus
jannaschii) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 182
GLY A 190
GLY A 126
ILE A 188
ASP A 186
 None
 0.92A 2nxeA-2yv1A:
6.7		 2nxeA-2yv1A:
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.
2z6e DISHEVELED-ASSOCIATE
D ACTIVATOR OF
MORPHOGENESIS 1

(Homo sapiens) 		PF02181
(FH2) 		5 LEU A 810
ILE A 881
ASP A 880
ASN A 873
LEU A 874
 None
 0.92A 2nxeA-2z6eA:
undetectable		 2nxeA-2z6eA:
18.96
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.
2z8u TATA-BOX-BINDING
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00352
(TBP) 		5 GLY A 132
GLY A 150
GLY A 148
ILE A 109
LEU A 171
 None
 0.76A 2nxeA-2z8uA:
undetectable		 2nxeA-2z8uA:
21.91
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		8 PHE A 207
ASP A 239
LEU A 240
GLY A 241
GLY A 243
LEU A 247
ASP A 264
ASN A 305
 SAH  A 376 (-3.4A)
SAH  A 376 ( 4.2A)
None
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 ( 4.4A)
None
SAH  A 376 (-4.4A)
 0.63A 2nxeA-2zwvA:
16.3		 2nxeA-2zwvA:
27.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ASP A 109
GLY A 113
ILE A 132
LEU A 175
LEU A 179
 None
5GP  A 500 ( 4.5A)
5GP  A 500 (-4.1A)
5GP  A 500 ( 4.7A)
None
 0.79A 2nxeA-3b89A:
12.8		 2nxeA-3b89A:
25.17
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 314
LEU A 132
GLY A 135
LEU A 127
LEU A  98
 None
 0.94A 2nxeA-3bjsA:
undetectable		 2nxeA-3bjsA:
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.
3bre PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		6 ASP A 174
LEU A 179
GLY A 252
LEU A 176
ILE A 208
ASP A 209
 None
 1.39A 2nxeA-3breA:
undetectable		 2nxeA-3breA:
23.50
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.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		6 GLY A 306
ASP A 201
LEU A 199
GLY A 284
LEU A 384
LEU A 388
 None
 1.42A 2nxeA-3c87A:
undetectable		 2nxeA-3c87A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 ASP A  44
GLY A  46
GLY A  48
LEU A  52
ASN A 105
 None
 0.91A 2nxeA-3ccfA:
17.6		 2nxeA-3ccfA:
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 ASP A  44
LEU A  45
GLY A  46
GLY A  48
ASN A 105
 None
 0.58A 2nxeA-3ccfA:
17.6		 2nxeA-3ccfA:
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.
3cgg SAM-DEPENDENT
METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13649
(Methyltransf_25) 		5 ASP A  51
GLY A  53
GLY A  55
ASP A  76
LEU A 120
 None
NHE  A 195 (-3.2A)
None
None
EDO  A 197 (-4.0A)
 0.91A 2nxeA-3cggA:
16.6		 2nxeA-3cggA:
28.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		6 ASP A 126
LEU A 127
GLY A 128
LEU A 134
ILE A 150
LEU A 200
 SAH  A 258 ( 3.9A)
None
SAH  A 258 (-3.1A)
SAH  A 258 (-4.2A)
SAH  A 258 (-4.0A)
None
 1.16A 2nxeA-3cjtA:
37.5		 2nxeA-3cjtA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		12 PHE A  99
GLY A 100
ASP A 126
LEU A 127
GLY A 128
GLY A 130
LEU A 134
ILE A 150
ASP A 151
ASN A 191
LEU A 192
LEU A 196
 SAH  A 258 ( 4.3A)
SAH  A 258 (-3.1A)
SAH  A 258 ( 3.9A)
None
SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 (-4.2A)
SAH  A 258 (-4.0A)
None
SAH  A 258 ( 3.8A)
None
SAH  A 258 (-4.6A)
 0.26A 2nxeA-3cjtA:
37.5		 2nxeA-3cjtA:
99.61
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 ASP A  48
GLY A  50
GLY A  52
LEU A  56
LEU A 120
 None
 0.71A 2nxeA-3dtnA:
14.8		 2nxeA-3dtnA:
21.17
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		6 ASP A  48
LEU A  49
GLY A  50
GLY A  52
LEU A  56
LEU A 128
 None
 1.46A 2nxeA-3dtnA:
14.8		 2nxeA-3dtnA:
21.17
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.
3du4 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 GLY A 279
GLY A 113
ILE A 289
ASP A 111
LEU A  96
 None
PLP  A 450 (-3.2A)
None
None
None
 0.87A 2nxeA-3du4A:
undetectable		 2nxeA-3du4A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		6 ASP A  57
LEU A  58
GLY A  59
GLY A  61
LEU A  65
ASN A 122
 SAH  A 300 ( 4.7A)
None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
SAH  A 300 (-3.8A)
 0.95A 2nxeA-3e8sA:
14.1		 2nxeA-3e8sA:
27.15
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		6 ASP A  57
LEU A  58
GLY A  59
GLY A  61
LEU A  65
ASP A  82
 SAH  A 300 ( 4.7A)
None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
None
 0.81A 2nxeA-3e8sA:
14.1		 2nxeA-3e8sA:
27.15
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		6 LEU A  58
GLY A  59
GLY A  61
LEU A  65
ASN A 122
LEU A 125
 None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
SAH  A 300 (-3.8A)
None
 1.17A 2nxeA-3e8sA:
14.1		 2nxeA-3e8sA:
27.15
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.
3epu STM2138 VIRULENCE
CHAPERONE

(Salmonella
enterica) 		PF05932
(CesT) 		5 ASP A 134
LEU A 133
GLY A  56
ASP A  86
LEU A 122
 None
 0.93A 2nxeA-3epuA:
undetectable		 2nxeA-3epuA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		6 GLY A 349
LEU A 335
GLY A 351
LEU A 342
ILE A 356
LEU A 410
 None
 1.08A 2nxeA-3fhnA:
undetectable		 2nxeA-3fhnA:
16.24
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		5 GLY A  54
GLY A  56
LEU A  60
ASP A  77
LEU A 126
 None
 0.86A 2nxeA-3futA:
13.0		 2nxeA-3futA:
27.30
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
ASN A 101
 None
 0.88A 2nxeA-3fydA:
14.3		 2nxeA-3fydA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLY A  40
LEU A 124
GLY A  38
LEU A  44
ILE A 110
ASN A 101
 None
 1.38A 2nxeA-3fydA:
14.3		 2nxeA-3fydA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		6 ASP A 112
GLY A 114
GLY A 116
ILE A 138
ASP A 139
LEU A 185
 None
SAM  A 300 (-3.5A)
SAM  A 300 ( 3.7A)
SAM  A 300 (-3.7A)
None
None
 0.78A 2nxeA-3fzgA:
10.6		 2nxeA-3fzgA:
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		6 LEU A 153
GLY A 137
LEU A  35
ILE A 362
LEU A 183
LEU A 187
 None
 1.35A 2nxeA-3g05A:
undetectable		 2nxeA-3g05A:
19.48
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		6 ASP A   5
GLY A   9
LEU A  13
ILE A  30
ASP A  31
LEU A  97
 None
 0.88A 2nxeA-3g7uA:
9.0		 2nxeA-3g7uA:
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD
CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis;
Bacillus
anthracis) 		no annotation
no annotation 		5 LEU S 441
GLY L 258
ASP L 260
LEU L 277
LEU L 273
 None
 0.94A 2nxeA-3g9kS:
undetectable		 2nxeA-3g9kS:
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.
3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)

(Streptomyces
matensis) 		PF16483
(Glyco_hydro_64) 		5 ASP A 259
LEU A 260
GLY A 275
ILE A 321
LEU A 282
 None
 0.83A 2nxeA-3gd9A:
undetectable		 2nxeA-3gd9A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdj HEMOGLOBIN SUBUNIT
BETA

(Camelus
dromedarius) 		PF00042
(Globin) 		5 GLY B  83
LEU B  75
GLY B  74
LEU B  78
LEU B   3
 None
 0.94A 2nxeA-3gdjB:
undetectable		 2nxeA-3gdjB:
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  61
LEU A 111
ASP A  99
LEU A  81
LEU A  78
 None
 0.92A 2nxeA-3gg9A:
7.9		 2nxeA-3gg9A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.87A 2nxeA-3gryA:
13.8		 2nxeA-3gryA:
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		6 GLY A  40
LEU A 124
GLY A  38
LEU A  44
ILE A 110
ASN A 101
 SAM  A 300 (-3.3A)
None
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
None
SAM  A 300 (-3.6A)
 1.26A 2nxeA-3gryA:
13.8		 2nxeA-3gryA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		6 ASP A 182
GLY A 184
GLY A 186
LEU A 190
ILE A 207
ASN A 248
 None
GOL  A 322 ( 3.7A)
None
None
GOL  A 322 (-4.1A)
None
 0.60A 2nxeA-3grzA:
26.6		 2nxeA-3grzA:
30.20
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.
3gzg MOLYBDATE-BINDING
PERIPLASMIC PROTEIN
PERMEASE

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		6 GLY A 126
LEU A 166
GLY A 167
LEU A 146
ASP A 173
LEU A  87
 None
 1.22A 2nxeA-3gzgA:
undetectable		 2nxeA-3gzgA:
24.24
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 GLY A 183
ASP A  80
LEU A  79
GLY A  83
LEU A 188
LEU A 191
 None
 1.09A 2nxeA-3i8bA:
undetectable		 2nxeA-3i8bA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		6 ASP A 116
LEU A 117
GLY A 114
LEU A 143
LEU A  32
LEU A  36
 None
 1.14A 2nxeA-3isaA:
undetectable		 2nxeA-3isaA:
28.43
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		6 GLY A 136
ASP A 116
LEU A 117
GLY A 114
LEU A 143
LEU A  32
 CL  A 256 (-3.4A)
None
None
None
None
None
 1.28A 2nxeA-3isaA:
undetectable		 2nxeA-3isaA:
28.43
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		6 GLY A 136
LEU A 117
GLY A 114
GLY A 112
LEU A 143
LEU A  32
 CL  A 256 (-3.4A)
None
None
CL  A 257 ( 3.5A)
None
None
 1.46A 2nxeA-3isaA:
undetectable		 2nxeA-3isaA:
28.43
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		6 LEU A 117
GLY A 114
GLY A 112
LEU A 143
LEU A  32
LEU A  36
 None
None
CL  A 257 ( 3.5A)
None
None
None
 1.31A 2nxeA-3isaA:
undetectable		 2nxeA-3isaA:
28.43
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		6 ASP A2347
LEU A2346
GLY A2351
LEU A2349
LEU A2303
LEU A2299
 None
 1.33A 2nxeA-3jbzA:
undetectable		 2nxeA-3jbzA:
12.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 663
LEU A 395
GLY A 403
LEU A 410
LEU A 632
 None
 0.80A 2nxeA-3k30A:
5.6		 2nxeA-3k30A:
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ASP A 198
GLY A 202
ILE A 262
ASP A 263
ASN A 305
LEU A 321
 None
GTP  A 383 (-2.6A)
GTP  A 383 (-4.2A)
None
GTP  A 383 (-4.2A)
None
 0.89A 2nxeA-3lduA:
10.6		 2nxeA-3lduA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
LEU A 107
ILE A 126
LEU A 170
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
 0.72A 2nxeA-3lgaA:
17.6		 2nxeA-3lgaA:
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.
3m70 TELLURITE RESISTANCE
PROTEIN TEHB HOMOLOG

(Haemophilus
influenzae) 		PF03848
(TehB)
PF09313
(DUF1971) 		5 ASP A 126
LEU A 127
GLY A 128
GLY A 130
LEU A 197
 None
 0.86A 2nxeA-3m70A:
10.1		 2nxeA-3m70A:
20.97
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 ASP A  30
GLY A  32
GLY A  34
ASP A  57
LEU A 108
 SAH  A 216 ( 4.7A)
SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
None
SAH  A 216 (-4.0A)
 0.60A 2nxeA-3mq2A:
11.7		 2nxeA-3mq2A:
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		5 GLY A 678
ILE A  14
ASP A  13
LEU A 673
LEU A 669
 None
 0.92A 2nxeA-3nz4A:
undetectable		 2nxeA-3nz4A:
17.42
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.
3ot1 4-METHYL-5(B-HYDROXY
ETHYL)-THIAZOLE
MONOPHOSPHATE
BIOSYNTHESIS ENZYME

(Vibrio cholerae) 		PF01965
(DJ-1_PfpI) 		5 LEU B 168
GLY B 176
LEU B 173
LEU B 197
LEU B 194
 None
 0.73A 2nxeA-3ot1B:
3.6		 2nxeA-3ot1B:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		5 ASP A  49
LEU A  50
GLY A  53
LEU A  57
ASP A  75
 None
 0.70A 2nxeA-3p9nA:
16.5		 2nxeA-3p9nA:
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.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		6 ASP A 464
LEU A 443
GLY A 442
GLY A 411
LEU A 415
LEU A 385
 None
 1.34A 2nxeA-3s83A:
undetectable		 2nxeA-3s83A:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc3 UV DAMAGE
ENDONUCLEASE

(Sulfolobus
acidocaldarius) 		PF03851
(UvdE) 		5 ASP A  88
GLY A  87
GLY A 133
ILE A  97
LEU A  41
 None
 0.85A 2nxeA-3tc3A:
undetectable		 2nxeA-3tc3A:
19.62
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 190
GLY A 194
ASP A 218
ASN A 260
LEU A 276
 None
 0.76A 2nxeA-3tmaA:
18.0		 2nxeA-3tmaA:
27.27
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ASP A 195
GLY A 199
LEU A 203
ASP A 264
ASN A 309
 None
SAM  A 801 (-3.2A)
SAM  A 801 ( 4.7A)
None
SAM  A 801 (-4.5A)
 0.72A 2nxeA-3v8vA:
14.4		 2nxeA-3v8vA:
18.64
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		6 PHE A  87
GLY A  86
GLY A  84
ILE A 113
ASN A 160
LEU A 165
 None
 1.23A 2nxeA-3wj2A:
2.3		 2nxeA-3wj2A:
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.
3wo8 BETA-N-ACETYLGLUCOSA
MINIDASE

(Thermotoga
maritima) 		PF00933
(Glyco_hydro_3) 		5 GLY A 143
LEU A 119
GLY A 133
ASN A  81
LEU A  82
 None
 0.80A 2nxeA-3wo8A:
undetectable		 2nxeA-3wo8A:
20.58