SIMILAR PATTERNS OF AMINO ACIDS FOR 1UTD_E_TRPE81

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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 GLY A 227
ALA A 173
THR A  34
ILE A 171
GLY A  14
 None
 1.14A 1utdE-1e5dA:
0.0
1utdF-1e5dA:
0.0		 1utdE-1e5dA:
16.21
1utdF-1e5dA:
16.21
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 412
ALA A 510
THR A 500
THR A 417
SER A 245
 None
None
None
TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
 1.14A 1utdE-1l5jA:
undetectable
1utdF-1l5jA:
undetectable		 1utdE-1l5jA:
7.07
1utdF-1l5jA:
7.07
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  90
ALA A 132
THR A 118
HIS A  67
GLY A  66
 None
None
None
ZN  A 343 ( 3.3A)
None
 1.17A 1utdE-1lluA:
undetectable
1utdF-1lluA:
undetectable		 1utdE-1lluA:
10.88
1utdF-1lluA:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 GLY A 152
ALA A 174
THR A 273
ILE A 167
THR A 287
 None
 1.10A 1utdE-1q8fA:
undetectable
1utdF-1q8fA:
undetectable		 1utdE-1q8fA:
13.50
1utdF-1q8fA:
13.50
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.
1tnu GERANYLGERANYL
TRANSFERASE TYPE I
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 GLY B 209
HIS B 219
THR B 223
ILE B 248
GLY B 262
 None
MGM  B 379 (-3.7A)
None
None
None
 1.02A 1utdE-1tnuB:
undetectable
1utdF-1tnuB:
0.0		 1utdE-1tnuB:
12.68
1utdF-1tnuB:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 GLY A 188
ALA A 196
THR A  49
THR A 183
THR A  40
 None
 1.17A 1utdE-1v9cA:
undetectable
1utdF-1v9cA:
undetectable		 1utdE-1v9cA:
19.25
1utdF-1v9cA:
19.25
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 ALA A 274
THR A  26
THR A 243
ILE A 247
GLY A 216
 None
None
None
None
FMN  A 501 ( 4.0A)
 1.10A 1utdE-1vcgA:
undetectable
1utdF-1vcgA:
undetectable		 1utdE-1vcgA:
10.77
1utdF-1vcgA:
10.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 GLY A 296
ALA A 197
HIS A 194
ILE A 291
GLY A 193
 None
 0.80A 1utdE-1wd3A:
0.0
1utdF-1wd3A:
0.3		 1utdE-1wd3A:
9.13
1utdF-1wd3A:
9.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 GLY A  15
ALA A  23
THR A 252
ILE A  13
SER A 495
 FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
None
 0.97A 1utdE-1yy5A:
0.0
1utdF-1yy5A:
undetectable		 1utdE-1yy5A:
9.73
1utdF-1yy5A:
9.73
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 121
THR A 118
GLY A 184
THR A 186
 DGL  A1301 (-4.2A)
None
DGL  A1301 (-3.5A)
None
DGL  A1301 (-3.1A)
 1.06A 1utdE-1zuwA:
undetectable
1utdF-1zuwA:
undetectable		 1utdE-1zuwA:
13.97
1utdF-1zuwA:
13.97
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.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 HIS A  21
ALA A 141
ILE A  18
GLY A 119
THR A 100
 None
 1.01A 1utdE-2b42A:
undetectable
1utdF-2b42A:
undetectable		 1utdE-2b42A:
10.50
1utdF-2b42A:
10.50
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 GLY A 537
THR A 659
HIS A 534
THR A 510
GLY A 533
 None
 1.02A 1utdE-2c79A:
undetectable
1utdF-2c79A:
undetectable		 1utdE-2c79A:
14.85
1utdF-2c79A:
14.85
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.
2ctr DNAJ HOMOLOG
SUBFAMILY B MEMBER 9

(Homo sapiens) 		PF00226
(DnaJ) 		5 GLY A   7
ALA A  55
ILE A  12
GLY A  72
THR A  77
 None
 0.99A 1utdE-2ctrA:
undetectable
1utdF-2ctrA:
undetectable		 1utdE-2ctrA:
24.71
1utdF-2ctrA:
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		5 THR A 129
THR A 128
ILE A  49
GLY A 104
THR A 106
 GOL  A 607 (-3.3A)
None
None
GOL  A 607 (-4.1A)
CO  A 603 (-4.0A)
 1.05A 1utdE-2d2xA:
undetectable
1utdF-2d2xA:
undetectable		 1utdE-2d2xA:
12.47
1utdF-2d2xA:
12.47
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.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		5 ALA A  22
ILE A  67
GLY A  14
THR A 189
SER A  18
 None
None
SO4  A5001 (-4.0A)
None
SO4  A5001 (-2.7A)
 0.94A 1utdE-2detA:
undetectable
1utdF-2detA:
undetectable		 1utdE-2detA:
11.89
1utdF-2detA:
11.89
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
None
 0.90A 1utdE-2dw4A:
undetectable
1utdF-2dw4A:
undetectable		 1utdE-2dw4A:
8.15
1utdF-2dw4A:
8.15
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 HIS A 190
THR A 124
THR A 121
GLY A 187
THR A 189
 DGL  A 278 ( 4.5A)
None
DGL  A 278 (-3.6A)
None
DGL  A 278 (-3.0A)
 1.06A 1utdE-2dwuA:
undetectable
1utdF-2dwuA:
undetectable		 1utdE-2dwuA:
16.50
1utdF-2dwuA:
16.50
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 677
ALA B 688
THR B 417
HIS B 682
ILE B 676
 None
None
None
NI  B 901 (-2.8A)
None
 1.11A 1utdE-2fffB:
undetectable
1utdF-2fffB:
undetectable		 1utdE-2fffB:
11.03
1utdF-2fffB:
11.03
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		5 GLY A 118
HIS A 115
ALA B 832
ILE B 837
GLY A 456
 None
 1.12A 1utdE-2fjaA:
undetectable
1utdF-2fjaA:
undetectable		 1utdE-2fjaA:
7.47
1utdF-2fjaA:
7.47
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.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 GLY A 107
HIS A 106
THR A 202
THR A 237
GLY A 172
 None
None
MN  A   1 ( 3.7A)
None
None
 1.00A 1utdE-2gtxA:
undetectable
1utdF-2gtxA:
undetectable		 1utdE-2gtxA:
18.59
1utdF-2gtxA:
18.59
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.
2gzm GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 121
THR A 118
GLY A 184
THR A 186
 DGL  A 501 (-4.4A)
None
DGL  A 501 (-3.6A)
None
DGL  A 501 (-3.0A)
 1.06A 1utdE-2gzmA:
undetectable
1utdF-2gzmA:
undetectable		 1utdE-2gzmA:
13.75
1utdF-2gzmA:
13.75
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.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		5 GLY A 102
THR A 233
HIS A  99
THR A  71
GLY A  98
 None
 1.06A 1utdE-2iw0A:
undetectable
1utdF-2iw0A:
undetectable		 1utdE-2iw0A:
14.57
1utdF-2iw0A:
14.57
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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus) 		PF01177
(Asp_Glu_race) 		5 HIS A 186
THR A 119
THR A 116
GLY A 183
THR A 185
 DGL  A1267 (-4.4A)
None
DGL  A1267 (-3.7A)
None
DGL  A1267 (-2.8A)
 1.06A 1utdE-2jfqA:
undetectable
1utdF-2jfqA:
undetectable		 1utdE-2jfqA:
16.22
1utdF-2jfqA:
16.22
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.
2vvt GLUTAMATE RACEMASE

(Enterococcus
faecalis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 121
THR A 118
GLY A 184
THR A 186
 I24  A1269 (-3.9A)
None
DGL  A1270 (-3.6A)
None
DGL  A1270 (-3.0A)
 1.07A 1utdE-2vvtA:
undetectable
1utdF-2vvtA:
undetectable		 1utdE-2vvtA:
12.76
1utdF-2vvtA:
12.76
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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 HIS A 183
THR A 119
THR A 116
GLY A 180
THR A 182
 DGL  A1256 ( 4.5A)
None
DGL  A1256 (-3.5A)
None
DGL  A1256 (-3.1A)
 1.07A 1utdE-2w4iA:
undetectable
1utdF-2w4iA:
undetectable		 1utdE-2w4iA:
14.79
1utdF-2w4iA:
14.79
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 GLY A  95
THR A 223
HIS A  92
THR A  69
GLY A  91
 None
 0.98A 1utdE-2y8uA:
undetectable
1utdF-2y8uA:
undetectable		 1utdE-2y8uA:
14.60
1utdF-2y8uA:
14.60
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 170
ALA A 110
HIS A 215
ILE A 168
GLY A 114
 None
None
ZN  A5648 (-3.4A)
None
None
 1.13A 1utdE-2z1aA:
undetectable
1utdF-2z1aA:
undetectable		 1utdE-2z1aA:
9.33
1utdF-2z1aA:
9.33
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 ALA A 285
THR A  27
THR A 254
ILE A 258
GLY A 222
 None
None
None
None
FNR  A 669 (-3.4A)
 1.16A 1utdE-3b05A:
undetectable
1utdF-3b05A:
undetectable		 1utdE-3b05A:
13.61
1utdF-3b05A:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		5 GLY A 138
ALA A 145
HIS A  91
ILE A 142
GLY A  94
 None
 1.14A 1utdE-3b8iA:
undetectable
1utdF-3b8iA:
undetectable		 1utdE-3b8iA:
13.45
1utdF-3b8iA:
13.45
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 GLY A 166
ALA A 194
THR A 284
ILE A 187
THR A 295
 None
 1.03A 1utdE-3b9gA:
undetectable
1utdF-3b9gA:
undetectable		 1utdE-3b9gA:
13.11
1utdF-3b9gA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		5 GLY A 281
ALA A 262
THR A 253
ILE A 279
GLY A 227
 None
 1.10A 1utdE-3bblA:
undetectable
1utdF-3bblA:
undetectable		 1utdE-3bblA:
14.08
1utdF-3bblA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 GLY A 274
ALA A 174
ILE A 291
GLY A 187
THR A 243
 None
 1.02A 1utdE-3bilA:
undetectable
1utdF-3bilA:
undetectable		 1utdE-3bilA:
12.79
1utdF-3bilA:
12.79
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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 ALA A 187
THR A 426
THR A 414
ILE A 184
GLY A 295
 None
 0.95A 1utdE-3cb5A:
undetectable
1utdF-3cb5A:
undetectable		 1utdE-3cb5A:
9.95
1utdF-3cb5A:
9.95
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 GLY A  63
HIS A  62
ILE A  99
GLY A 110
SER A 126
 None
CA  A 401 (-3.4A)
None
None
None
 1.12A 1utdE-3cdxA:
undetectable
1utdF-3cdxA:
undetectable		 1utdE-3cdxA:
11.68
1utdF-3cdxA:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		5 GLY A 251
ALA A 107
THR A 247
ILE A 204
GLY A 332
 None
 0.98A 1utdE-3fmqA:
undetectable
1utdF-3fmqA:
undetectable		 1utdE-3fmqA:
13.14
1utdF-3fmqA:
13.14
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.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A  10
ALA A  21
THR A  32
ILE A  11
GLY A  29
 None
 1.14A 1utdE-3g0oA:
undetectable
1utdF-3g0oA:
undetectable		 1utdE-3g0oA:
11.84
1utdF-3g0oA:
11.84
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.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.91A 1utdE-3iwjA:
undetectable
1utdF-3iwjA:
undetectable		 1utdE-3iwjA:
10.54
1utdF-3iwjA:
10.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.90A 1utdE-3iwkA:
undetectable
1utdF-3iwkA:
undetectable		 1utdE-3iwkA:
10.34
1utdF-3iwkA:
10.34
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A  86
ALA A  94
THR A 246
ILE A  84
SER A 322
 AHZ  A 500 (-3.0A)
None
None
None
None
 1.12A 1utdE-3jskA:
undetectable
1utdF-3jskA:
undetectable		 1utdE-3jskA:
13.37
1utdF-3jskA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  88
HIS A 137
ALA A 130
ILE A  89
GLY A  84
 None
 1.05A 1utdE-3meqA:
undetectable
1utdF-3meqA:
undetectable		 1utdE-3meqA:
10.66
1utdF-3meqA:
10.66
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.
3out GLUTAMATE RACEMASE

(Francisella
tularensis) 		PF01177
(Asp_Glu_race) 		5 HIS A 185
THR A 119
THR A 116
GLY A 182
THR A 184
 DGL  A 266 ( 4.8A)
None
DGL  A 266 ( 3.8A)
None
DGL  A 266 (-3.3A)
 1.05A 1utdE-3outA:
undetectable
1utdF-3outA:
undetectable		 1utdE-3outA:
12.83
1utdF-3outA:
12.83
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  88
ALA A 130
THR A 116
HIS A  65
GLY A  64
 None
None
None
ZN  A 500 ( 3.3A)
None
 1.17A 1utdE-3s2gA:
undetectable
1utdF-3s2gA:
undetectable		 1utdE-3s2gA:
11.25
1utdF-3s2gA:
11.25
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A 124
THR A  14
ILE A  12
GLY A  94
SER A 120
 None
None
None
NAP  A 601 (-3.2A)
None
 0.93A 1utdE-3toxA:
undetectable
1utdF-3toxA:
undetectable		 1utdE-3toxA:
15.71
1utdF-3toxA:
15.71
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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A 133
HIS A 151
THR A 152
ILE A 134
SER A 148
 None
 1.17A 1utdE-3wpeA:
undetectable
1utdF-3wpeA:
undetectable		 1utdE-3wpeA:
7.17
1utdF-3wpeA:
7.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zte TRYPTOPHAN OPERON
RNA-BINDING
ATTENUATION PROTEIN
(TRAP)

(Bacillus
licheniformis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.21A 1utdE-3zteA:
14.5
1utdF-3zteA:
14.3		 1utdE-3zteA:
78.21
1utdF-3zteA:
78.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzl TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
halodurans) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.22A 1utdE-3zzlA:
13.2
1utdF-3zzlA:
13.2		 1utdE-3zzlA:
71.43
1utdF-3zzlA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.15A 1utdE-3zzqA:
13.8
1utdF-3zzqA:
13.8		 1utdE-3zzqA:
80.00
1utdF-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzs TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.08A 1utdE-3zzsA:
13.8
1utdF-3zzsA:
13.7		 1utdE-3zzsA:
100.00
1utdF-3zzsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  34 ( 1.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.16A 1utdE-4b27A:
13.3
1utdF-4b27A:
13.2		 1utdE-4b27A:
76.32
1utdF-4b27A:
76.32
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 ALA A 500
THR A 572
THR A 545
ILE A 547
SER A 504
 None
 1.09A 1utdE-4bx9A:
undetectable
1utdF-4bx9A:
undetectable		 1utdE-4bx9A:
7.91
1utdF-4bx9A:
7.91
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ALA A  18
THR A  29
THR A   6
ILE A 159
GLY A  26
 None
 0.80A 1utdE-4cnkA:
undetectable
1utdF-4cnkA:
undetectable		 1utdE-4cnkA:
12.76
1utdF-4cnkA:
12.76
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.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 350
ALA A 338
THR A 363
ILE A 346
GLY A 381
 None
None
None
None
GOL  A 600 (-4.6A)
 0.96A 1utdE-4dalA:
undetectable
1utdF-4dalA:
undetectable		 1utdE-4dalA:
9.83
1utdF-4dalA:
9.83
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.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		5 GLY A 106
HIS A 105
THR A 201
THR A 236
GLY A 171
 None
None
MN  A 301 ( 3.8A)
None
None
 1.03A 1utdE-4fo7A:
undetectable
1utdF-4fo7A:
undetectable		 1utdE-4fo7A:
15.30
1utdF-4fo7A:
15.30
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.
4fuk METHIONINE
AMINOPEPTIDASE

(Trypanosoma
brucei) 		PF00557
(Peptidase_M24) 		5 GLY A 221
HIS A 220
THR A 316
THR A 351
GLY A 286
 None
None
ZN  A 401 ( 3.6A)
None
None
 1.05A 1utdE-4fukA:
undetectable
1utdF-4fukA:
undetectable		 1utdE-4fukA:
11.94
1utdF-4fukA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3t OXIDOREDUCTASE DPRE1

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 150
HIS A 152
HIS A 139
ILE A 134
GLY A 140
 None
 1.17A 1utdE-4g3tA:
undetectable
1utdF-4g3tA:
undetectable		 1utdE-4g3tA:
12.31
1utdF-4g3tA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 175
ALA A 112
HIS A 220
ILE A 173
GLY A 116
 None
None
ZN  A 602 (-3.3A)
None
None
 1.13A 1utdE-4h1sA:
undetectable
1utdF-4h1sA:
undetectable		 1utdE-4h1sA:
9.39
1utdF-4h1sA:
9.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 168
ALA A 269
THR A 195
HIS A 199
GLY A 197
 LLP  A  41 ( 3.5A)
LLP  A  41 ( 3.6A)
None
None
None
 1.15A 1utdE-4h27A:
undetectable
1utdF-4h27A:
undetectable		 1utdE-4h27A:
13.46
1utdF-4h27A:
13.46
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 389
ALA A 397
THR A 626
ILE A 387
SER A 811
 FAD  A 901 (-3.3A)
None
None
None
None
 0.94A 1utdE-4hsuA:
undetectable
1utdF-4hsuA:
undetectable		 1utdE-4hsuA:
7.64
1utdF-4hsuA:
7.64
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.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 GLY A 239
HIS A 238
THR A 334
THR A 369
GLY A 304
 None
None
CO  A 401 ( 3.6A)
None
None
 1.02A 1utdE-4hxxA:
undetectable
1utdF-4hxxA:
undetectable		 1utdE-4hxxA:
11.80
1utdF-4hxxA:
11.80
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.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		5 GLY A 365
ALA A 354
THR A 380
ILE A 361
GLY A 398
 None
 0.96A 1utdE-4i8pA:
undetectable
1utdF-4i8pA:
undetectable		 1utdE-4i8pA:
9.81
1utdF-4i8pA:
9.81
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 GLY A 364
ALA A 353
THR A 379
ILE A 360
GLY A 397
 None
 0.91A 1utdE-4i8qA:
undetectable
1utdF-4i8qA:
undetectable		 1utdE-4i8qA:
9.01
1utdF-4i8qA:
9.01
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.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 GLY A 239
HIS A 238
THR A 334
THR A 369
GLY A 304
 None
None
CO  A 401 (-3.5A)
None
None
 1.02A 1utdE-4iu6A:
undetectable
1utdF-4iu6A:
undetectable		 1utdE-4iu6A:
12.50
1utdF-4iu6A:
12.50
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.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  33
ALA B  79
THR B  53
ILE B  51
SER B  77
 None
 1.00A 1utdE-4jreB:
undetectable
1utdF-4jreB:
undetectable		 1utdE-4jreB:
15.89
1utdF-4jreB:
15.89
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.
4l1g PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		PF01522
(Polysacc_deac_1) 		5 GLY A 129
THR A 255
HIS A 126
THR A 103
GLY A 125
 None
 1.13A 1utdE-4l1gA:
undetectable
1utdF-4l1gA:
undetectable		 1utdE-4l1gA:
12.31
1utdF-4l1gA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 GLY A  55
THR A 129
THR A 132
ILE A  58
SER A 271
 None
 1.08A 1utdE-4lz6A:
undetectable
1utdF-4lz6A:
undetectable		 1utdE-4lz6A:
11.37
1utdF-4lz6A:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 GLY A 191
ALA A 119
ILE A 190
GLY A 206
THR A 174
 None
 0.98A 1utdE-4m7gA:
undetectable
1utdF-4m7gA:
undetectable		 1utdE-4m7gA:
17.16
1utdF-4m7gA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzy NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Enterococcus
faecalis) 		PF04095
(NAPRTase) 		5 GLY A 174
THR A 186
THR A 175
ILE A 320
GLY A 192
 None
 1.02A 1utdE-4mzyA:
undetectable
1utdF-4mzyA:
undetectable		 1utdE-4mzyA:
13.27
1utdF-4mzyA:
13.27
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 GLY A 430
ALA A 418
THR A 443
ILE A 426
GLY A 461
 None
 1.01A 1utdE-4oe6A:
undetectable
1utdF-4oe6A:
undetectable		 1utdE-4oe6A:
8.98
1utdF-4oe6A:
8.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 GLY A 141
HIS A 140
THR A 236
THR A 271
GLY A 206
 NA  A 305 (-3.2A)
None
CO  A 302 (-3.4A)
NA  A 305 ( 3.9A)
None
 0.96A 1utdE-4ookA:
undetectable
1utdF-4ookA:
undetectable		 1utdE-4ookA:
13.69
1utdF-4ookA:
13.69
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A  12
ALA A  20
ILE A  10
GLY A 290
SER A 307
 FDA  A 501 (-3.1A)
None
None
None
None
 1.14A 1utdE-4opuA:
undetectable
1utdF-4opuA:
undetectable		 1utdE-4opuA:
11.00
1utdF-4opuA:
11.00
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A 248
ALA A 297
THR A 363
ILE A 220
GLY A 361
 None
 1.09A 1utdE-4rjwA:
undetectable
1utdF-4rjwA:
undetectable		 1utdE-4rjwA:
11.50
1utdF-4rjwA:
11.50
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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A 148
THR A 156
ILE A 149
GLY A 161
SER A 141
 None
 1.03A 1utdE-4ureA:
undetectable
1utdF-4ureA:
undetectable		 1utdE-4ureA:
17.32
1utdF-4ureA:
17.32
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.
4wxu MYOCILIN

(Homo sapiens) 		PF02191
(OLF) 		5 GLY A 268
ALA A 327
THR A 290
ILE A 288
GLY A 375
 None
 1.16A 1utdE-4wxuA:
undetectable
1utdF-4wxuA:
undetectable		 1utdE-4wxuA:
14.78
1utdF-4wxuA:
14.78
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		5 GLY A 272
ALA A 279
THR A 262
ILE A 276
GLY A  44
 None
 1.10A 1utdE-4yfmA:
undetectable
1utdF-4yfmA:
undetectable		 1utdE-4yfmA:
15.00
1utdF-4yfmA:
15.00
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.
4ygt UNCHARACTERIZED
PROTEIN YJGB

(Bacillus
subtilis) 		PF14172
(DUF4309) 		5 GLY A 110
ALA A  67
HIS A  81
ILE A 122
GLY A  85
 None
 1.12A 1utdE-4ygtA:
undetectable
1utdF-4ygtA:
undetectable		 1utdE-4ygtA:
20.62
1utdF-4ygtA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yra L-THREONINE
3-DEHYDROGENASE,
MITOCHONDRIAL

(Mus musculus) 		PF01370
(Epimerase) 		5 ALA A 326
THR A 236
GLY A 172
THR A 193
SER A 330
 None
 1.06A 1utdE-4yraA:
undetectable
1utdF-4yraA:
undetectable		 1utdE-4yraA:
12.91
1utdF-4yraA:
12.91
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 GLY A 101
HIS A  98
HIS A  61
ILE A 103
GLY A  33
 None
 1.09A 1utdE-5a62A:
undetectable
1utdF-5a62A:
undetectable		 1utdE-5a62A:
17.15
1utdF-5a62A:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.10A 1utdE-5eexA:
15.7
1utdF-5eexA:
15.7		 1utdE-5eexA:
100.00
1utdF-5eexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
NANOS, ISOFORM B

(Homo sapiens;
Drosophila
melanogaster) 		PF04054
(Not1)
no annotation 		5 ALA D 124
ILE A1895
GLY A1951
THR A1958
SER D 126
 None
 1.15A 1utdE-5fu7D:
undetectable
1utdF-5fu7D:
undetectable		 1utdE-5fu7D:
18.42
1utdF-5fu7D:
18.42
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 GLY A 175
ALA A 112
HIS A 220
ILE A 173
GLY A 116
 None
None
ZN  A 606 (-3.1A)
None
None
 1.08A 1utdE-5h7wA:
undetectable
1utdF-5h7wA:
undetectable		 1utdE-5h7wA:
8.88
1utdF-5h7wA:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hj7 GLUTAMATE RACEMASE

(Mycobacterium
tuberculosis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 122
THR A 119
GLY A 184
THR A 186
 DGL  A 301 ( 4.4A)
None
DGL  A 301 (-3.6A)
None
DGL  A 301 (-2.9A)
 1.09A 1utdE-5hj7A:
undetectable
1utdF-5hj7A:
undetectable		 1utdE-5hj7A:
16.27
1utdF-5hj7A:
16.27
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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		5 HIS A 188
THR A 123
THR A 120
GLY A 185
THR A 187
 DGL  A 301 (-4.4A)
None
DGL  A 301 (-3.5A)
None
DGL  A 301 (-3.0A)
 1.09A 1utdE-5ijwA:
undetectable
1utdF-5ijwA:
undetectable		 1utdE-5ijwA:
14.49
1utdF-5ijwA:
14.49
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 GLY B 378
ALA B 423
THR B 376
GLY B 343
THR B 327
 None
 1.05A 1utdE-5iklB:
undetectable
1utdF-5iklB:
undetectable		 1utdE-5iklB:
10.40
1utdF-5iklB:
10.40
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A 901 (-3.3A)
None
None
None
None
 0.92A 1utdE-5l3dA:
undetectable
1utdF-5l3dA:
undetectable		 1utdE-5l3dA:
6.27
1utdF-5l3dA:
6.27
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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		6 GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
GLY A  76
 None
 1.08A 1utdE-5lgcA:
undetectable
1utdF-5lgcA:
undetectable		 1utdE-5lgcA:
17.89
1utdF-5lgcA:
17.89
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.
5mmh HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Pseudomonas
aeruginosa) 		PF03466
(LysR_substrate) 		5 GLY A 154
HIS A 153
THR A 267
THR A 155
GLY A 150
 None
 1.08A 1utdE-5mmhA:
undetectable
1utdF-5mmhA:
undetectable		 1utdE-5mmhA:
17.67
1utdF-5mmhA:
17.67
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.
5nii THIOREDOXIN
REDUCTASE

(Desulfovibrio
vulgaris) 		no annotation 5 ALA A 284
THR A 256
ILE A 105
GLY A 249
THR A 268
 None
None
None
None
NA  A 402 (-3.5A)
 1.15A 1utdE-5niiA:
undetectable
1utdF-5niiA:
undetectable		 1utdE-5niiA:
undetectable
1utdF-5niiA:
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 GLY A 172
ALA A 180
THR A 190
ILE A 175
SER A 186
 None
 1.17A 1utdE-5o1mA:
undetectable
1utdF-5o1mA:
undetectable		 1utdE-5o1mA:
12.64
1utdF-5o1mA:
12.64
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.
5o6y PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 5 GLY B 129
THR B 255
HIS B 126
THR B 103
GLY B 125
 None
NA  B 317 (-3.6A)
None
None
None
 1.11A 1utdE-5o6yB:
undetectable
1utdF-5o6yB:
undetectable		 1utdE-5o6yB:
undetectable
1utdF-5o6yB:
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.
5u6f LPXTG-MOTIF CELL
WALL ANCHOR DOMAIN
PROTEIN

(Mobiluncus
mulieris) 		no annotation 5 GLY A 225
THR A 278
ILE A 269
GLY A  22
THR A  20
 None
 0.89A 1utdE-5u6fA:
1.9
1utdF-5u6fA:
1.9		 1utdE-5u6fA:
undetectable
1utdF-5u6fA:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A 874
ALA A 726
THR A 846
ILE A 696
SER A 724
 None
None
None
None
SO4  A2003 (-2.4A)
 1.16A 1utdE-5ux5A:
undetectable
1utdF-5ux5A:
undetectable		 1utdE-5ux5A:
5.76
1utdF-5ux5A:
5.76
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.
5w16 GLUTAMATE RACEMASE

(Thermus
thermophilus) 		no annotation 5 HIS A 178
THR A 119
THR A 116
GLY A 175
THR A 177
 DGL  A 301 ( 3.9A)
None
DGL  A 301 (-3.5A)
None
DGL  A 301 (-2.9A)
 1.12A 1utdE-5w16A:
undetectable
1utdF-5w16A:
undetectable		 1utdE-5w16A:
undetectable
1utdF-5w16A:
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 5 GLY A 166
ALA A 244
THR A 161
ILE A 167
GLY A 248
 None
 0.94A 1utdE-5w4cA:
undetectable
1utdF-5w4cA:
undetectable		 1utdE-5w4cA:
undetectable
1utdF-5w4cA:
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 GLY A 356
ALA A 345
THR A 369
ILE A 352
GLY A 387
 None
 0.90A 1utdE-5x5tA:
undetectable
1utdF-5x5tA:
undetectable		 1utdE-5x5tA:
10.44
1utdF-5x5tA:
10.44
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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 5 GLY A 269
HIS A 158
ILE A 153
GLY A 248
THR A 246
 None
 1.10A 1utdE-5yapA:
undetectable
1utdF-5yapA:
undetectable		 1utdE-5yapA:
undetectable
1utdF-5yapA:
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 126
ALA A 133
THR A 122
THR A 124
ILE A 159
 PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-3.6A)
None
 1.04A 1utdE-5ygrA:
undetectable
1utdF-5ygrA:
undetectable		 1utdE-5ygrA:
undetectable
1utdF-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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 GLY A 134
HIS A 152
THR A 153
ILE A 135
SER A 149
 None
 1.12A 1utdE-5zlnA:
undetectable
1utdF-5zlnA:
undetectable		 1utdE-5zlnA:
undetectable
1utdF-5zlnA:
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 ALA A 380
THR A 165
ILE A 133
GLY A 261
THR A 265
 None
None
None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.8A)
 1.16A 1utdE-6bldA:
undetectable
1utdF-6bldA:
undetectable		 1utdE-6bldA:
undetectable
1utdF-6bldA:
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A  30
ALA A 255
ILE A  34
GLY A 351
SER A 355
 None
 1.03A 1utdE-6bn2A:
undetectable
1utdF-6bn2A:
undetectable		 1utdE-6bn2A:
undetectable
1utdF-6bn2A:
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.
6fc0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A 239
HIS A 233
THR A 234
GLY A 123
THR A 182
 None
 1.00A 1utdE-6fc0A:
undetectable
1utdF-6fc0A:
undetectable		 1utdE-6fc0A:
undetectable
1utdF-6fc0A:
undetectable