SIMILAR PATTERNS OF AMINO ACIDS FOR 1GTF_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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 THR A 417
SER A 245
GLY A 412
ALA A 510
THR A 500
 TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
None
None
None
 1.14A 1gtfD-1l5jA:
0.0
1gtfE-1l5jA:
0.0		 1gtfD-1l5jA:
7.07
1gtfE-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  66
GLY A  90
ALA A 132
THR A 118
HIS A  67
 None
None
None
None
ZN  A 343 ( 3.3A)
 1.18A 1gtfD-1lluA:
undetectable
1gtfE-1lluA:
undetectable		 1gtfD-1lluA:
10.88
1gtfE-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 THR A 287
GLY A 152
ALA A 174
THR A 273
ILE A 167
 None
 1.12A 1gtfD-1q8fA:
undetectable
1gtfE-1q8fA:
undetectable		 1gtfD-1q8fA:
13.50
1gtfE-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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 GLY A 532
ALA A 414
THR A 569
THR A 568
ILE A 416
 None
 1.12A 1gtfD-1qu2A:
0.0
1gtfE-1qu2A:
0.0		 1gtfD-1qu2A:
7.28
1gtfE-1qu2A:
7.28
Potential target for repurposing, i.e. matched protein structure has less than 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 262
GLY B 209
HIS B 219
THR B 223
ILE B 248
 None
None
MGM  B 379 (-3.7A)
None
None
 0.98A 1gtfD-1tnuB:
0.0
1gtfE-1tnuB:
0.0		 1gtfD-1tnuB:
12.68
1gtfE-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 THR A  40
GLY A 188
ALA A 196
THR A  49
THR A 183
 None
 1.14A 1gtfD-1v9cA:
undetectable
1gtfE-1v9cA:
undetectable		 1gtfD-1v9cA:
19.25
1gtfE-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 GLY A 216
ALA A 274
THR A  26
THR A 243
ILE A 247
 FMN  A 501 ( 4.0A)
None
None
None
None
 1.12A 1gtfD-1vcgA:
undetectable
1gtfE-1vcgA:
undetectable		 1gtfD-1vcgA:
10.77
1gtfE-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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  59
GLY A 201
THR A  63
THR A 260
ILE A 199
 ADP  A1425 (-3.0A)
None
None
None
None
 1.21A 1gtfD-1w78A:
undetectable
1gtfE-1w78A:
undetectable		 1gtfD-1w78A:
10.85
1gtfE-1w78A:
10.85
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh) 		5 GLY A 257
GLY A 230
ALA A 247
THR A 259
ILE A 231
 None
 1.18A 1gtfD-1w85A:
undetectable
1gtfE-1w85A:
undetectable		 1gtfD-1w85A:
12.69
1gtfE-1w85A:
12.69
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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 GLY A 193
GLY A 296
ALA A 197
HIS A 194
ILE A 291
 None
 0.72A 1gtfD-1wd3A:
undetectable
1gtfE-1wd3A:
undetectable		 1gtfD-1wd3A:
9.13
1gtfE-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 SER A 495
GLY A  15
ALA A  23
THR A 252
ILE A  13
 None
FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
 1.00A 1gtfD-1yy5A:
undetectable
1gtfE-1yy5A:
undetectable		 1gtfD-1yy5A:
9.73
1gtfE-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.
2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE

(Streptococcus
pneumoniae) 		PF01522
(Polysacc_deac_1) 		5 GLY A 320
GLY A 324
THR A 443
HIS A 321
THR A 298
 None
 1.05A 1gtfD-2c1iA:
undetectable
1gtfE-2c1iA:
undetectable		 1gtfD-2c1iA:
11.88
1gtfE-2c1iA:
11.88
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 GLY A 533
GLY A 537
THR A 659
HIS A 534
THR A 510
 None
 0.96A 1gtfD-2c79A:
undetectable
1gtfE-2c79A:
undetectable		 1gtfD-2c79A:
14.85
1gtfE-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  72
THR A  77
GLY A   7
ALA A  55
ILE A  12
 None
 1.02A 1gtfD-2ctrA:
undetectable
1gtfE-2ctrA:
undetectable		 1gtfD-2ctrA:
24.71
1gtfE-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 GLY A 104
THR A 106
THR A 129
THR A 128
ILE A  49
 GOL  A 607 (-4.1A)
CO  A 603 (-4.0A)
GOL  A 607 (-3.3A)
None
None
 1.07A 1gtfD-2d2xA:
undetectable
1gtfE-2d2xA:
undetectable		 1gtfD-2d2xA:
12.47
1gtfE-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 GLY A  14
THR A 189
SER A  18
ALA A  22
ILE A  67
 SO4  A5001 (-4.0A)
None
SO4  A5001 (-2.7A)
None
None
 0.92A 1gtfD-2detA:
undetectable
1gtfE-2detA:
undetectable		 1gtfD-2detA:
11.89
1gtfE-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 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
 0.92A 1gtfD-2dw4A:
undetectable
1gtfE-2dw4A:
undetectable		 1gtfD-2dw4A:
8.15
1gtfE-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 GLY A 187
THR A 189
ALA A  80
THR A 124
THR A 121
 None
DGL  A 278 (-3.0A)
None
None
DGL  A 278 (-3.6A)
 0.91A 1gtfD-2dwuA:
undetectable
1gtfE-2dwuA:
undetectable		 1gtfD-2dwuA:
16.50
1gtfE-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
 1.00A 1gtfD-2fffB:
undetectable
1gtfE-2fffB:
undetectable		 1gtfD-2fffB:
11.03
1gtfE-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.
2gzm GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 GLY A 184
THR A 186
ALA A  77
THR A 121
THR A 118
 None
DGL  A 501 (-3.0A)
None
None
DGL  A 501 (-3.6A)
 0.93A 1gtfD-2gzmA:
undetectable
1gtfE-2gzmA:
undetectable		 1gtfD-2gzmA:
13.75
1gtfE-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.
2h3g BIOSYNTHETIC PROTEIN

(Bacillus
anthracis) 		PF03309
(Pan_kinase) 		5 GLY X 148
THR X 135
GLY X 107
ALA X 114
ILE X 111
 None
 1.19A 1gtfD-2h3gX:
undetectable
1gtfE-2h3gX:
undetectable		 1gtfD-2h3gX:
16.15
1gtfE-2h3gX:
16.15
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.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		5 GLY A  98
GLY A 102
THR A 233
HIS A  99
THR A  71
 None
 0.99A 1gtfD-2iw0A:
undetectable
1gtfE-2iw0A:
undetectable		 1gtfD-2iw0A:
14.57
1gtfE-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 GLY A 183
THR A 185
ALA A  75
THR A 119
THR A 116
 None
DGL  A1267 (-2.8A)
None
None
DGL  A1267 (-3.7A)
 0.92A 1gtfD-2jfqA:
undetectable
1gtfE-2jfqA:
undetectable		 1gtfD-2jfqA:
16.22
1gtfE-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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 GLY A 255
GLY A 226
ALA A 247
HIS A 229
THR A 228
 None
None
None
ACT  A 306 ( 4.6A)
None
 1.15A 1gtfD-2p4oA:
undetectable
1gtfE-2p4oA:
undetectable		 1gtfD-2p4oA:
14.90
1gtfE-2p4oA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rkb SERINE
DEHYDRATASE-LIKE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 203
GLY A 174
ALA A 275
THR A 201
HIS A 205
 None
PLP  A 400 ( 3.3A)
PLP  A 400 ( 4.0A)
None
None
 1.04A 1gtfD-2rkbA:
undetectable
1gtfE-2rkbA:
undetectable		 1gtfD-2rkbA:
12.38
1gtfE-2rkbA:
12.38
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 184
THR A 186
ALA A  77
THR A 121
THR A 118
 None
DGL  A1270 (-3.0A)
None
None
DGL  A1270 (-3.6A)
 0.91A 1gtfD-2vvtA:
undetectable
1gtfE-2vvtA:
undetectable		 1gtfD-2vvtA:
12.76
1gtfE-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.
2xzl ATP-DEPENDENT
HELICASE NAM7

(Saccharomyces
cerevisiae) 		PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 SER A 402
GLY A 435
ALA A 407
THR A 442
THR A 439
 None
ADP  A1854 (-3.1A)
ADP  A1854 ( 4.5A)
None
None
 1.20A 1gtfD-2xzlA:
undetectable
1gtfE-2xzlA:
undetectable		 1gtfD-2xzlA:
7.24
1gtfE-2xzlA:
7.24
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 GLY A  91
GLY A  95
THR A 223
HIS A  92
THR A  69
 None
 0.95A 1gtfD-2y8uA:
undetectable
1gtfE-2y8uA:
undetectable		 1gtfD-2y8uA:
14.60
1gtfE-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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 GLY A 222
ALA A 285
THR A  27
THR A 254
ILE A 258
 FNR  A 669 (-3.4A)
None
None
None
None
 1.17A 1gtfD-3b05A:
undetectable
1gtfE-3b05A:
undetectable		 1gtfD-3b05A:
13.61
1gtfE-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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 THR A 295
GLY A 166
ALA A 194
THR A 284
ILE A 187
 None
 1.05A 1gtfD-3b9gA:
undetectable
1gtfE-3b9gA:
undetectable		 1gtfD-3b9gA:
13.11
1gtfE-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 227
GLY A 281
ALA A 262
THR A 253
ILE A 279
 None
 1.12A 1gtfD-3bblA:
undetectable
1gtfE-3bblA:
undetectable		 1gtfD-3bblA:
14.08
1gtfE-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 187
THR A 243
GLY A 274
ALA A 174
ILE A 291
 None
 1.07A 1gtfD-3bilA:
undetectable
1gtfE-3bilA:
undetectable		 1gtfD-3bilA:
12.79
1gtfE-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 SER A 191
ALA A 187
THR A 426
THR A 414
ILE A 184
 None
 0.95A 1gtfD-3cb5A:
undetectable
1gtfE-3cb5A:
undetectable		 1gtfD-3cb5A:
9.95
1gtfE-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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		5 GLY A 132
GLY A 110
HIS A 134
THR A 135
ILE A 164
 None
 1.13A 1gtfD-3cq5A:
undetectable
1gtfE-3cq5A:
undetectable		 1gtfD-3cq5A:
13.50
1gtfE-3cq5A:
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.
3d8x THIOREDOXIN
REDUCTASE 1

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 GLY A 220
GLY A 138
ALA A 216
THR A 133
ILE A 139
 None
 0.99A 1gtfD-3d8xA:
undetectable
1gtfE-3d8xA:
undetectable		 1gtfD-3d8xA:
13.12
1gtfE-3d8xA:
13.12
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.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A  29
GLY A  10
ALA A  21
THR A  32
ILE A  11
 None
 1.13A 1gtfD-3g0oA:
undetectable
1gtfE-3g0oA:
undetectable		 1gtfD-3g0oA:
11.84
1gtfE-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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		5 GLY A 149
SER A 154
ALA A 160
THR A 115
ILE A  69
 None
 1.20A 1gtfD-3h0lA:
undetectable
1gtfE-3h0lA:
undetectable		 1gtfD-3h0lA:
10.90
1gtfE-3h0lA:
10.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 442
GLY A 174
ALA A 140
THR A 457
ILE A 173
 None
 1.20A 1gtfD-3hpaA:
undetectable
1gtfE-3hpaA:
undetectable		 1gtfD-3hpaA:
10.65
1gtfE-3hpaA:
10.65
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.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.89A 1gtfD-3iwjA:
undetectable
1gtfE-3iwjA:
undetectable		 1gtfD-3iwjA:
10.54
1gtfE-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 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.88A 1gtfD-3iwkA:
undetectable
1gtfE-3iwkA:
undetectable		 1gtfD-3iwkA:
10.34
1gtfE-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 SER A 322
GLY A  86
ALA A  94
THR A 246
ILE A  84
 None
AHZ  A 500 (-3.0A)
None
None
None
 1.16A 1gtfD-3jskA:
undetectable
1gtfE-3jskA:
undetectable		 1gtfD-3jskA:
13.37
1gtfE-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  64
GLY A  88
ALA A 130
THR A 116
HIS A  65
 None
None
None
None
ZN  A 401 ( 3.2A)
 1.20A 1gtfD-3meqA:
undetectable
1gtfE-3meqA:
undetectable		 1gtfD-3meqA:
10.66
1gtfE-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.
3s7z PUTATIVE ASPARTATE
RACEMASE

(Salmonella
enterica) 		PF01177
(Asp_Glu_race) 		5 GLY A 192
THR A 194
ALA A  86
THR A 127
THR A 124
 None
SIN  A 300 (-3.3A)
None
None
SIN  A 300 (-4.0A)
 0.95A 1gtfD-3s7zA:
undetectable
1gtfE-3s7zA:
undetectable		 1gtfD-3s7zA:
12.92
1gtfE-3s7zA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  94
SER A 120
ALA A 124
THR A  14
ILE A  12
 NAP  A 601 (-3.2A)
None
None
None
None
 0.96A 1gtfD-3toxA:
undetectable
1gtfE-3toxA:
undetectable		 1gtfD-3toxA:
15.71
1gtfE-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 SER A 148
GLY A 133
HIS A 151
THR A 152
ILE A 134
 None
 1.20A 1gtfD-3wpeA:
undetectable
1gtfE-3wpeA:
undetectable		 1gtfD-3wpeA:
7.17
1gtfE-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) 		5 GLY A  23
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.28A 1gtfD-3zteA:
15.3
1gtfE-3zteA:
14.7		 1gtfD-3zteA:
78.21
1gtfE-3zteA:
78.21
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 355
ALA X 322
THR X 299
THR X 302
ILE X 308
 None
 1.15A 1gtfD-3zyyX:
undetectable
1gtfE-3zyyX:
undetectable		 1gtfD-3zyyX:
9.44
1gtfE-3zyyX:
9.44
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) 		5 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.32A 1gtfD-3zzlA:
13.3
1gtfE-3zzlA:
13.4		 1gtfD-3zzlA:
71.43
1gtfE-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) 		5 GLY A  23
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.13A 1gtfD-3zzqA:
13.9
1gtfE-3zzqA:
14.0		 1gtfD-3zzqA:
80.00
1gtfE-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) 		6 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.23A 1gtfD-3zzsA:
13.8
1gtfE-3zzsA:
13.9		 1gtfD-3zzsA:
100.00
1gtfE-3zzsA:
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 GLY A 393
GLY A 360
ALA A 349
THR A 375
ILE A 356
 None
 1.02A 1gtfD-4a0mA:
undetectable
1gtfE-4a0mA:
undetectable		 1gtfD-4a0mA:
9.68
1gtfE-4a0mA:
9.68
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.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ALA A 320
THR A 377
HIS A 249
THR A 250
ILE A 315
 None
None
HEM  A1715 (-3.9A)
None
None
 1.19A 1gtfD-4aj9A:
undetectable
1gtfE-4aj9A:
undetectable		 1gtfD-4aj9A:
8.76
1gtfE-4aj9A:
8.76
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) 		6 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
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)
 0.32A 1gtfD-4b27A:
13.3
1gtfE-4b27A:
13.4		 1gtfD-4b27A:
76.32
1gtfE-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 SER A 504
ALA A 500
THR A 572
THR A 545
ILE A 547
 None
 1.14A 1gtfD-4bx9A:
undetectable
1gtfE-4bx9A:
undetectable		 1gtfD-4bx9A:
7.91
1gtfE-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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 GLY I 355
ALA I 322
THR I 299
THR I 302
ILE I 308
 None
 1.14A 1gtfD-4c1nI:
undetectable
1gtfE-4c1nI:
undetectable		 1gtfD-4c1nI:
10.47
1gtfE-4c1nI:
10.47
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 GLY A  26
ALA A  18
THR A  29
THR A   6
ILE A 159
 None
 0.83A 1gtfD-4cnkA:
undetectable
1gtfE-4cnkA:
undetectable		 1gtfD-4cnkA:
12.76
1gtfE-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.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 GLY A 127
THR A 100
GLY A 360
THR A 129
ILE A 151
 None
 1.13A 1gtfD-4czaA:
undetectable
1gtfE-4czaA:
undetectable		 1gtfD-4czaA:
11.24
1gtfE-4czaA:
11.24
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.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 381
GLY A 350
ALA A 338
THR A 363
ILE A 346
 GOL  A 600 (-4.6A)
None
None
None
None
 0.95A 1gtfD-4dalA:
undetectable
1gtfE-4dalA:
undetectable		 1gtfD-4dalA:
9.83
1gtfE-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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		5 GLY A 427
SER A 336
GLY A 327
ALA A 340
THR A 324
 None
 1.07A 1gtfD-4doeA:
undetectable
1gtfE-4doeA:
undetectable		 1gtfD-4doeA:
10.25
1gtfE-4doeA:
10.25
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.
4e8e GLUTATHIONE
S-TRANSFERASE

(Bombyx mori) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 GLY A  41
THR A  45
HIS A  43
THR A  36
ILE A  34
 None
 1.20A 1gtfD-4e8eA:
undetectable
1gtfE-4e8eA:
undetectable		 1gtfD-4e8eA:
13.82
1gtfE-4e8eA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 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 197
GLY A 168
ALA A 269
THR A 195
HIS A 199
 None
LLP  A  41 ( 3.5A)
LLP  A  41 ( 3.6A)
None
None
 1.12A 1gtfD-4h27A:
undetectable
1gtfE-4h27A:
undetectable		 1gtfD-4h27A:
13.46
1gtfE-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 SER A 811
GLY A 389
ALA A 397
THR A 626
ILE A 387
 None
FAD  A 901 (-3.3A)
None
None
None
 0.97A 1gtfD-4hsuA:
undetectable
1gtfE-4hsuA:
undetectable		 1gtfD-4hsuA:
7.64
1gtfE-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.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		5 GLY A 398
GLY A 365
ALA A 354
THR A 380
ILE A 361
 None
 0.93A 1gtfD-4i8pA:
undetectable
1gtfE-4i8pA:
undetectable		 1gtfD-4i8pA:
9.81
1gtfE-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 397
GLY A 364
ALA A 353
THR A 379
ILE A 360
 None
 0.90A 1gtfD-4i8qA:
undetectable
1gtfE-4i8qA:
undetectable		 1gtfD-4i8qA:
9.01
1gtfE-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.
4iik ADENOSINE
MONOPHOSPHATE-PROTEI
N HYDROLASE SIDD

(Legionella
pneumophila) 		no annotation 5 GLY A 194
THR A 252
SER A 172
GLY A 331
ILE A  96
 None
 1.16A 1gtfD-4iikA:
undetectable
1gtfE-4iikA:
undetectable		 1gtfD-4iikA:
17.23
1gtfE-4iikA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l1g PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		PF01522
(Polysacc_deac_1) 		5 GLY A 125
GLY A 129
THR A 255
HIS A 126
THR A 103
 None
 1.08A 1gtfD-4l1gA:
undetectable
1gtfE-4l1gA:
undetectable		 1gtfD-4l1gA:
12.31
1gtfE-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 SER A 271
GLY A  55
THR A 129
THR A 132
ILE A  58
 None
 1.10A 1gtfD-4lz6A:
undetectable
1gtfE-4lz6A:
undetectable		 1gtfD-4lz6A:
11.37
1gtfE-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 206
THR A 174
GLY A 191
ALA A 119
ILE A 190
 None
 0.99A 1gtfD-4m7gA:
undetectable
1gtfE-4m7gA:
undetectable		 1gtfD-4m7gA:
17.16
1gtfE-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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.15A 1gtfD-4opuA:
undetectable
1gtfE-4opuA:
undetectable		 1gtfD-4opuA:
11.00
1gtfE-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.
4ord THIOESTERASE
SUPERFAMILY MEMBER 2

(Danio rerio) 		PF03061
(4HBT) 		5 GLY A  58
GLY A  54
HIS A  57
THR A  50
ILE A  97
 None
 1.09A 1gtfD-4ordA:
undetectable
1gtfE-4ordA:
undetectable		 1gtfD-4ordA:
22.97
1gtfE-4ordA:
22.97
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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		5 SER A 219
GLY A 213
ALA A 217
THR A 244
HIS A 209
 None
None
None
None
ZN  A 401 ( 3.4A)
 1.14A 1gtfD-4ov4A:
undetectable
1gtfE-4ov4A:
undetectable		 1gtfD-4ov4A:
11.11
1gtfE-4ov4A:
11.11
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 GLY A 137
SER A 298
GLY A  97
ALA A 302
ILE A 175
 None
None
None
EDO  A 414 (-2.7A)
EDO  A 411 (-4.2A)
 1.17A 1gtfD-4qa9A:
undetectable
1gtfE-4qa9A:
undetectable		 1gtfD-4qa9A:
11.11
1gtfE-4qa9A:
11.11
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A 361
GLY A 248
ALA A 297
THR A 363
ILE A 220
 None
 1.11A 1gtfD-4rjwA:
undetectable
1gtfE-4rjwA:
undetectable		 1gtfD-4rjwA:
11.50
1gtfE-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.
4tr6 DNA POLYMERASE III
SUBUNIT BETA

(Bacillus
subtilis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 GLY A 355
GLY A 325
ALA A 296
THR A 264
ILE A 323
 None
 1.21A 1gtfD-4tr6A:
undetectable
1gtfE-4tr6A:
undetectable		 1gtfD-4tr6A:
14.11
1gtfE-4tr6A:
14.11
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 GLY A  50
ALA A  46
THR A 143
THR A 158
ILE A 167
 None
 1.19A 1gtfD-4ufcA:
undetectable
1gtfE-4ufcA:
undetectable		 1gtfD-4ufcA:
6.66
1gtfE-4ufcA:
6.66
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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A 161
SER A 141
GLY A 148
THR A 156
ILE A 149
 None
 1.03A 1gtfD-4ureA:
undetectable
1gtfE-4ureA:
undetectable		 1gtfD-4ureA:
17.32
1gtfE-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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		5 GLY A  44
GLY A 272
ALA A 279
THR A 262
ILE A 276
 None
 1.08A 1gtfD-4yfmA:
undetectable
1gtfE-4yfmA:
undetectable		 1gtfD-4yfmA:
15.00
1gtfE-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  85
GLY A 110
ALA A  67
HIS A  81
ILE A 122
 None
 1.09A 1gtfD-4ygtA:
undetectable
1gtfE-4ygtA:
undetectable		 1gtfD-4ygtA:
20.62
1gtfE-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 GLY A 172
THR A 193
SER A 330
ALA A 326
THR A 236
 None
 1.06A 1gtfD-4yraA:
undetectable
1gtfE-4yraA:
undetectable		 1gtfD-4yraA:
12.91
1gtfE-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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A2741
GLY A2677
ALA A2682
HIS A2753
ILE A2678
 None
 1.18A 1gtfD-4z37A:
undetectable
1gtfE-4z37A:
undetectable		 1gtfD-4z37A:
8.15
1gtfE-4z37A:
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.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 GLY A 393
GLY A 358
ALA A 347
THR A 375
ILE A 354
 None
 0.93A 1gtfD-4zwlA:
undetectable
1gtfE-4zwlA:
undetectable		 1gtfD-4zwlA:
9.48
1gtfE-4zwlA:
9.48
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) 		6 GLY A  23
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.20A 1gtfD-5eexA:
15.5
1gtfE-5eexA:
15.6		 1gtfD-5eexA:
100.00
1gtfE-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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		5 GLY A 219
SER A 190
GLY A 154
ALA A 194
ILE A 155
 None
 1.21A 1gtfD-5fb3A:
undetectable
1gtfE-5fb3A:
undetectable		 1gtfD-5fb3A:
14.29
1gtfE-5fb3A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 GLY A 145
SER A 143
ALA A 170
HIS A 146
ILE A 137
 FMN  A 402 ( 4.3A)
FMN  A 402 (-4.4A)
FMN  A 402 ( 4.1A)
None
None
 1.12A 1gtfD-5gvhA:
undetectable
1gtfE-5gvhA:
undetectable		 1gtfD-5gvhA:
12.70
1gtfE-5gvhA:
12.70
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 GLY B 343
THR B 327
GLY B 378
ALA B 423
THR B 376
 None
 1.05A 1gtfD-5iklB:
undetectable
1gtfE-5iklB:
undetectable		 1gtfD-5iklB:
10.40
1gtfE-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 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A 901 (-3.3A)
None
None
None
 0.94A 1gtfD-5l3dA:
undetectable
1gtfE-5l3dA:
undetectable		 1gtfD-5l3dA:
6.27
1gtfE-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  76
GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
 None
 1.03A 1gtfD-5lgcA:
undetectable
1gtfE-5lgcA:
undetectable		 1gtfD-5lgcA:
17.89
1gtfE-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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 GLY B 148
THR B 126
ALA B 828
HIS B 872
THR B 868
 None
 1.20A 1gtfD-5nd1B:
undetectable
1gtfE-5nd1B:
undetectable		 1gtfD-5nd1B:
undetectable
1gtfE-5nd1B:
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 SER A 186
GLY A 172
ALA A 180
THR A 190
ILE A 175
 None
 1.15A 1gtfD-5o1mA:
undetectable
1gtfE-5o1mA:
undetectable		 1gtfD-5o1mA:
12.64
1gtfE-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 125
GLY B 129
THR B 255
HIS B 126
THR B 103
 None
None
NA  B 317 (-3.6A)
None
None
 1.07A 1gtfD-5o6yB:
undetectable
1gtfE-5o6yB:
undetectable		 1gtfD-5o6yB:
undetectable
1gtfE-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  22
THR A  20
GLY A 225
ALA A 280
ILE A 269
 None
 1.18A 1gtfD-5u6fA:
1.9
1gtfE-5u6fA:
1.9		 1gtfD-5u6fA:
undetectable
1gtfE-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.
5u6f LPXTG-MOTIF CELL
WALL ANCHOR DOMAIN
PROTEIN

(Mobiluncus
mulieris) 		no annotation 5 GLY A  22
THR A  20
GLY A 225
THR A 278
ILE A 269
 None
 0.90A 1gtfD-5u6fA:
1.9
1gtfE-5u6fA:
1.9		 1gtfD-5u6fA:
undetectable
1gtfE-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 SER A 724
GLY A 874
ALA A 726
THR A 846
ILE A 696
 SO4  A2003 (-2.4A)
None
None
None
None
 1.18A 1gtfD-5ux5A:
undetectable
1gtfE-5ux5A:
undetectable		 1gtfD-5ux5A:
5.76
1gtfE-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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 5 GLY A 248
GLY A 166
ALA A 244
THR A 161
ILE A 167
 None
 0.92A 1gtfD-5w4cA:
undetectable
1gtfE-5w4cA:
undetectable		 1gtfD-5w4cA:
undetectable
1gtfE-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 387
GLY A 356
ALA A 345
THR A 369
ILE A 352
 None
 0.91A 1gtfD-5x5tA:
undetectable
1gtfE-5x5tA:
undetectable		 1gtfD-5x5tA:
10.44
1gtfE-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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 GLY A 147
ALA A 622
HIS A 626
THR A 627
ILE A 148
 SO4  A 706 ( 4.4A)
None
SO4  A 706 (-3.9A)
None
None
 1.18A 1gtfD-5y6rA:
undetectable
1gtfE-5y6rA:
undetectable		 1gtfD-5y6rA:
undetectable
1gtfE-5y6rA:
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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 5 GLY A 248
THR A 246
GLY A 269
HIS A 158
ILE A 153
 None
 1.10A 1gtfD-5yapA:
undetectable
1gtfE-5yapA:
undetectable		 1gtfD-5yapA:
undetectable
1gtfE-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
 1.03A 1gtfD-5ygrA:
undetectable
1gtfE-5ygrA:
undetectable		 1gtfD-5ygrA:
undetectable
1gtfE-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 SER A 149
GLY A 134
HIS A 152
THR A 153
ILE A 135
 None
 1.16A 1gtfD-5zlnA:
undetectable
1gtfE-5zlnA:
undetectable		 1gtfD-5zlnA:
undetectable
1gtfE-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.
6fc0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 GLY A 123
THR A 182
ALA A 239
HIS A 233
THR A 234
 None
 1.05A 1gtfD-6fc0A:
undetectable
1gtfE-6fc0A:
0.6		 1gtfD-6fc0A:
undetectable
1gtfE-6fc0A:
undetectable