SIMILAR PATTERNS OF AMINO ACIDS FOR 1C9S_V_TRPV81

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.
1f6d UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Escherichia
coli) 		PF02350
(Epimerase_2) 		5 GLY A 357
SER A 299
GLY A 292
ALA A 297
ILE A 293
 None
CL  A1379 ( 4.6A)
UDP  A1377 (-3.1A)
None
None
 1.19A 1c9sL-1f6dA:
undetectable
1c9sV-1f6dA:
undetectable		 1c9sL-1f6dA:
12.35
1c9sV-1f6dA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 1c9sL-1l5jA:
undetectable
1c9sV-1l5jA:
undetectable		 1c9sL-1l5jA:
7.07
1c9sV-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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A 915
GLY A1006
HIS A 884
ALA A1079
ILE A1007
 None
None
None
TEI  A3006 ( 3.8A)
None
 0.97A 1c9sL-1n5xA:
0.0
1c9sV-1n5xA:
0.0		 1c9sL-1n5xA:
4.96
1c9sV-1n5xA:
4.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 1c9sL-1qu2A:
0.0
1c9sV-1qu2A:
0.0		 1c9sL-1qu2A:
7.28
1c9sV-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
 0.97A 1c9sL-1tnuB:
undetectable
1c9sV-1tnuB:
undetectable		 1c9sL-1tnuB:
12.68
1c9sV-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
 1.12A 1c9sL-1v9cA:
undetectable
1c9sV-1v9cA:
undetectable		 1c9sL-1v9cA:
19.25
1c9sV-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
 1.17A 1c9sL-1vcgA:
undetectable
1c9sV-1vcgA:
undetectable		 1c9sL-1vcgA:
10.77
1c9sV-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.
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
 1.19A 1c9sL-1w85A:
undetectable
1c9sV-1w85A:
undetectable		 1c9sL-1w85A:
12.69
1c9sV-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
 0.74A 1c9sL-1wd3A:
0.3
1c9sV-1wd3A:
0.2		 1c9sL-1wd3A:
9.13
1c9sV-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
 1.02A 1c9sL-1yy5A:
undetectable
1c9sV-1yy5A:
undetectable		 1c9sL-1yy5A:
9.73
1c9sV-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.
2b30 PVIVAX HYPOTHETICAL
PROTEIN

(Plasmodium
vivax) 		PF08282
(Hydrolase_3) 		5 GLY A 222
THR A 207
ALA A 254
THR A 227
HIS A 223
 None
 1.16A 1c9sL-2b30A:
undetectable
1c9sV-2b30A:
undetectable		 1c9sL-2b30A:
13.62
1c9sV-2b30A:
13.62
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.
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
 1.08A 1c9sL-2c1iA:
undetectable
1c9sV-2c1iA:
undetectable		 1c9sL-2c1iA:
11.88
1c9sV-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
 1.01A 1c9sL-2c79A:
undetectable
1c9sV-2c79A:
undetectable		 1c9sL-2c79A:
14.85
1c9sV-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.
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
 1.03A 1c9sL-2d2xA:
undetectable
1c9sV-2d2xA:
undetectable		 1c9sL-2d2xA:
12.47
1c9sV-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
 0.95A 1c9sL-2detA:
undetectable
1c9sV-2detA:
undetectable		 1c9sL-2detA:
11.89
1c9sV-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 1c9sL-2dw4A:
undetectable
1c9sV-2dw4A:
undetectable		 1c9sL-2dw4A:
8.15
1c9sV-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.
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
 1.07A 1c9sL-2fffB:
undetectable
1c9sV-2fffB:
undetectable		 1c9sL-2fffB:
11.03
1c9sV-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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 499
SER A 132
GLY A 488
HIS A 497
ALA A 130
 None
 0.98A 1c9sL-2fknA:
undetectable
1c9sV-2fknA:
undetectable		 1c9sL-2fknA:
9.42
1c9sV-2fknA:
9.42
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.
2gko MICROBIAL SERINE
PROTEINASES
SUBTILISIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 GLY A  77
THR A  73
GLY A 240
HIS A  41
ALA A 243
 None
 1.17A 1c9sL-2gkoA:
undetectable
1c9sV-2gkoA:
undetectable		 1c9sL-2gkoA:
12.38
1c9sV-2gkoA:
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 GLY A 191
GLY A 168
HIS A  70
ALA A 178
ILE A 205
 None
 0.96A 1c9sL-2hj0A:
undetectable
1c9sV-2hj0A:
undetectable		 1c9sL-2hj0A:
10.04
1c9sV-2hj0A:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hma PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF03054
(tRNA_Me_trans) 		5 GLY A  15
THR A 190
SER A  19
ALA A  23
ILE A  68
 None
None
MG  A 374 ( 3.1A)
None
None
 1.17A 1c9sL-2hmaA:
undetectable
1c9sV-2hmaA:
undetectable		 1c9sL-2hmaA:
11.38
1c9sV-2hmaA:
11.38
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.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 GLY A  54
SER A  84
GLY A  92
ALA A  86
ILE A  90
 None
 1.11A 1c9sL-2hxgA:
undetectable
1c9sV-2hxgA:
undetectable		 1c9sL-2hxgA:
9.60
1c9sV-2hxgA:
9.60
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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  23
HIS A  59
ALA A  87
HIS A  58
ILE A  25
 None
 0.89A 1c9sL-2i3aA:
undetectable
1c9sV-2i3aA:
undetectable		 1c9sL-2i3aA:
12.78
1c9sV-2i3aA:
12.78
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.
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
 1.04A 1c9sL-2iw0A:
undetectable
1c9sV-2iw0A:
undetectable		 1c9sL-2iw0A:
14.57
1c9sV-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.
2qjp CYTOCHROME B
CYTOCHROME C1

(Rhodobacter
sphaeroides;
Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		5 GLY B   2
GLY B 109
HIS B 111
ALA B 159
HIS A 291
 None
 0.98A 1c9sL-2qjpB:
undetectable
1c9sV-2qjpB:
undetectable		 1c9sL-2qjpB:
14.45
1c9sV-2qjpB:
14.45
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.
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
 1.10A 1c9sL-2rkbA:
undetectable
1c9sV-2rkbA:
undetectable		 1c9sL-2rkbA:
12.38
1c9sV-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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 503
SER A 136
GLY A 492
HIS A 501
ALA A 134
 None
 1.00A 1c9sL-2v7gA:
undetectable
1c9sV-2v7gA:
undetectable		 1c9sL-2v7gA:
8.79
1c9sV-2v7gA:
8.79
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.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 345
GLY B 456
HIS B 314
ALA B 529
ILE B 457
 None
None
None
HPA  B1780 ( 3.2A)
None
 0.90A 1c9sL-2w55B:
undetectable
1c9sV-2w55B:
undetectable		 1c9sL-2w55B:
7.21
1c9sV-2w55B:
7.21
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.
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
 0.98A 1c9sL-2y8uA:
undetectable
1c9sV-2y8uA:
undetectable		 1c9sL-2y8uA:
14.60
1c9sV-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.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		5 GLY A  94
GLY A 138
ALA A 145
HIS A  91
ILE A 142
 None
 1.16A 1c9sL-3b8iA:
undetectable
1c9sV-3b8iA:
undetectable		 1c9sL-3b8iA:
13.45
1c9sV-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 THR A 295
GLY A 166
ALA A 194
THR A 284
ILE A 187
 None
 1.07A 1c9sL-3b9gA:
undetectable
1c9sV-3b9gA:
undetectable		 1c9sL-3b9gA:
13.11
1c9sV-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
 1.08A 1c9sL-3bblA:
undetectable
1c9sV-3bblA:
undetectable		 1c9sL-3bblA:
14.08
1c9sV-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
 1.06A 1c9sL-3bilA:
undetectable
1c9sV-3bilA:
undetectable		 1c9sL-3bilA:
12.79
1c9sV-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 1c9sL-3cb5A:
undetectable
1c9sV-3cb5A:
undetectable		 1c9sL-3cb5A:
9.95
1c9sV-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.
3cyg UNCHARACTERIZED
PROTEIN

(Fervidobacterium
nodosum) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		5 GLY A 137
THR A 139
GLY A 223
HIS A 214
HIS A 136
 None
 1.09A 1c9sL-3cygA:
undetectable
1c9sV-3cygA:
undetectable		 1c9sL-3cygA:
16.97
1c9sV-3cygA:
16.97
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.
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
 0.96A 1c9sL-3d8xA:
undetectable
1c9sV-3d8xA:
undetectable		 1c9sL-3d8xA:
13.12
1c9sV-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.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		5 GLY A 332
GLY A 251
ALA A 107
THR A 247
ILE A 204
 None
 0.94A 1c9sL-3fmqA:
undetectable
1c9sV-3fmqA:
undetectable		 1c9sL-3fmqA:
13.14
1c9sV-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  29
GLY A  10
ALA A  21
THR A  32
ILE A  11
 None
 1.17A 1c9sL-3g0oA:
undetectable
1c9sV-3g0oA:
undetectable		 1c9sL-3g0oA:
11.84
1c9sV-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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri;
Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 354
GLY B  14
HIS A 323
ALA B  86
ILE B  15
 NO3  A5658 (-3.7A)
None
None
NIO  B5661 ( 3.7A)
None
 1.05A 1c9sL-3hrdA:
undetectable
1c9sV-3hrdA:
undetectable		 1c9sL-3hrdA:
10.39
1c9sV-3hrdA:
10.39
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.
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
 0.93A 1c9sL-3iwjA:
undetectable
1c9sV-3iwjA:
undetectable		 1c9sL-3iwjA:
10.54
1c9sV-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
 0.92A 1c9sL-3iwkA:
undetectable
1c9sV-3iwkA:
undetectable		 1c9sL-3iwkA:
10.34
1c9sV-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
 1.14A 1c9sL-3jskA:
undetectable
1c9sV-3jskA:
undetectable		 1c9sL-3jskA:
13.37
1c9sV-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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 192
THR A 151
HIS A 150
THR A 149
ILE A 191
 None
 1.16A 1c9sL-3k55A:
undetectable
1c9sV-3k55A:
undetectable		 1c9sL-3k55A:
13.73
1c9sV-3k55A:
13.73
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY C 915
GLY C1006
HIS C 884
ALA C1079
ILE C1007
 None
None
None
RMO  C1317 ( 3.6A)
None
 0.93A 1c9sL-3sr6C:
undetectable
1c9sV-3sr6C:
undetectable		 1c9sL-3sr6C:
7.93
1c9sV-3sr6C:
7.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 1c9sL-3toxA:
undetectable
1c9sV-3toxA:
undetectable		 1c9sL-3toxA:
15.71
1c9sV-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
 1.14A 1c9sL-3wpeA:
undetectable
1c9sV-3wpeA:
undetectable		 1c9sL-3wpeA:
7.17
1c9sV-3wpeA:
7.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 THR A 213
GLY A 209
HIS A 388
THR A 387
ILE A 208
 FMN  A 500 ( 4.6A)
None
FMN  A 500 (-4.6A)
None
None
 1.14A 1c9sL-3x0yA:
undetectable
1c9sV-3x0yA:
undetectable		 1c9sL-3x0yA:
11.36
1c9sV-3x0yA:
11.36
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  33
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
None
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.25A 1c9sL-3zteA:
14.3
1c9sV-3zteA:
14.3		 1c9sL-3zteA:
78.21
1c9sV-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  33
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
None
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.29A 1c9sL-3zzlA:
13.1
1c9sV-3zzlA:
13.1		 1c9sL-3zzlA:
71.43
1c9sV-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  33
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)
 0.17A 1c9sL-3zzqA:
13.7
1c9sV-3zzqA:
13.7		 1c9sL-3zzqA:
80.00
1c9sV-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  33
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
None
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.20A 1c9sL-3zzsA:
13.5
1c9sV-3zzsA:
13.5		 1c9sL-3zzsA:
100.00
1c9sV-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
 1.04A 1c9sL-4a0mA:
undetectable
1c9sV-4a0mA:
undetectable		 1c9sL-4a0mA:
9.68
1c9sV-4a0mA:
9.68
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  33
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  33 ( 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)
 0.30A 1c9sL-4b27A:
13.1
1c9sV-4b27A:
13.1		 1c9sL-4b27A:
76.32
1c9sV-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
 1.13A 1c9sL-4bx9A:
undetectable
1c9sV-4bx9A:
undetectable		 1c9sL-4bx9A:
7.91
1c9sV-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 GLY A  26
ALA A  18
THR A  29
THR A   6
ILE A 159
 None
 0.81A 1c9sL-4cnkA:
undetectable
1c9sV-4cnkA:
undetectable		 1c9sL-4cnkA:
12.76
1c9sV-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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 GLY A 124
HIS A 123
ALA A 138
THR A 117
ILE A 140
 None
 1.10A 1c9sL-4d9iA:
undetectable
1c9sV-4d9iA:
undetectable		 1c9sL-4d9iA:
11.42
1c9sV-4d9iA:
11.42
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.
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
 0.98A 1c9sL-4dalA:
undetectable
1c9sV-4dalA:
undetectable		 1c9sL-4dalA:
9.83
1c9sV-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
 1.14A 1c9sL-4doeA:
undetectable
1c9sV-4doeA:
undetectable		 1c9sL-4doeA:
10.25
1c9sV-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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A  76
ALA A  69
HIS A  54
THR A  55
ILE A  57
 None
 1.19A 1c9sL-4fc7A:
undetectable
1c9sV-4fc7A:
undetectable		 1c9sL-4fc7A:
16.60
1c9sV-4fc7A:
16.60
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 SER A 252
GLY A 203
ALA A 233
HIS A 207
ILE A 245
 None
 1.13A 1c9sL-4fqdA:
undetectable
1c9sV-4fqdA:
undetectable		 1c9sL-4fqdA:
9.50
1c9sV-4fqdA:
9.50
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.
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
 0.98A 1c9sL-4hsuA:
undetectable
1c9sV-4hsuA:
undetectable		 1c9sL-4hsuA:
7.64
1c9sV-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.
4i6m ACTIN-LIKE PROTEIN
ARP9

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 THR B 169
GLY B 191
THR B 340
THR B 339
ILE B 194
 None
 1.02A 1c9sL-4i6mB:
undetectable
1c9sV-4i6mB:
undetectable		 1c9sL-4i6mB:
11.93
1c9sV-4i6mB:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 1c9sL-4i8pA:
undetectable
1c9sV-4i8pA:
undetectable		 1c9sL-4i8pA:
9.81
1c9sV-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
 0.94A 1c9sL-4i8qA:
undetectable
1c9sV-4i8qA:
undetectable		 1c9sL-4i8qA:
9.01
1c9sV-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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 GLY A  85
SER A  88
GLY A 109
HIS A 133
THR A  81
 LMS  A 401 ( 4.7A)
None
None
LMS  A 401 (-3.9A)
None
 1.15A 1c9sL-4injA:
undetectable
1c9sV-4injA:
undetectable		 1c9sL-4injA:
10.80
1c9sV-4injA:
10.80
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.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B  77
GLY B  33
ALA B  79
THR B  53
ILE B  51
 None
 1.05A 1c9sL-4jreB:
undetectable
1c9sV-4jreB:
undetectable		 1c9sL-4jreB:
15.89
1c9sV-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 125
GLY A 129
THR A 255
HIS A 126
THR A 103
 None
 1.11A 1c9sL-4l1gA:
undetectable
1c9sV-4l1gA:
undetectable		 1c9sL-4l1gA:
12.31
1c9sV-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
 1.09A 1c9sL-4lz6A:
undetectable
1c9sV-4lz6A:
undetectable		 1c9sL-4lz6A:
11.37
1c9sV-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
 1.00A 1c9sL-4m7gA:
undetectable
1c9sV-4m7gA:
undetectable		 1c9sL-4m7gA:
17.16
1c9sV-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 192
GLY A 174
THR A 186
THR A 175
ILE A 320
 None
 1.03A 1c9sL-4mzyA:
undetectable
1c9sV-4mzyA:
undetectable		 1c9sL-4mzyA:
13.27
1c9sV-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.
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
 1.10A 1c9sL-4ordA:
undetectable
1c9sV-4ordA:
undetectable		 1c9sL-4ordA:
22.97
1c9sV-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)
 1.16A 1c9sL-4ov4A:
undetectable
1c9sV-4ov4A:
undetectable		 1c9sL-4ov4A:
11.11
1c9sV-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)
 1.19A 1c9sL-4qa9A:
undetectable
1c9sV-4qa9A:
undetectable		 1c9sL-4qa9A:
11.11
1c9sV-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
 1.14A 1c9sL-4rjwA:
undetectable
1c9sV-4rjwA:
undetectable		 1c9sL-4rjwA:
11.50
1c9sV-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.
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
 1.14A 1c9sL-4ufcA:
undetectable
1c9sV-4ufcA:
undetectable		 1c9sL-4ufcA:
6.66
1c9sV-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
 1.04A 1c9sL-4ureA:
undetectable
1c9sV-4ureA:
undetectable		 1c9sL-4ureA:
17.32
1c9sV-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
 1.13A 1c9sL-4yfmA:
undetectable
1c9sV-4yfmA:
undetectable		 1c9sL-4yfmA:
15.00
1c9sV-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
 1.14A 1c9sL-4ygtA:
undetectable
1c9sV-4ygtA:
undetectable		 1c9sL-4ygtA:
20.62
1c9sV-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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  94
GLY A  83
ALA A  56
THR A  91
ILE A  61
 FAD  A 601 (-3.0A)
None
None
None
None
 1.18A 1c9sL-4ynuA:
undetectable
1c9sV-4ynuA:
undetectable		 1c9sL-4ynuA:
9.14
1c9sV-4ynuA:
9.14
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.
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
 1.04A 1c9sL-4yraA:
undetectable
1c9sV-4yraA:
undetectable		 1c9sL-4yraA:
12.91
1c9sV-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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A 915
GLY A1006
HIS A 884
ALA A1079
ILE A1007
 BCT  A3006 (-3.9A)
None
None
URC  A3007 (-3.4A)
None
 0.91A 1c9sL-4yswA:
undetectable
1c9sV-4yswA:
undetectable		 1c9sL-4yswA:
5.06
1c9sV-4yswA:
5.06
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  33
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.23A 1c9sL-5eexA:
15.5
1c9sV-5eexA:
15.4		 1c9sL-5eexA:
100.00
1c9sV-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
 1.18A 1c9sL-5fb3A:
undetectable
1c9sV-5fb3A:
undetectable		 1c9sL-5fb3A:
14.29
1c9sV-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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 GLY A 116
GLY A 175
ALA A 112
HIS A 220
ILE A 173
 None
None
None
ZN  A 606 (-3.1A)
None
 1.18A 1c9sL-5h7wA:
undetectable
1c9sV-5h7wA:
undetectable		 1c9sL-5h7wA:
8.88
1c9sV-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.
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
 1.04A 1c9sL-5iklB:
undetectable
1c9sV-5iklB:
undetectable		 1c9sL-5iklB:
10.40
1c9sV-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.
5k1c WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40) 		5 GLY B 208
THR B 210
GLY B 232
THR B 247
THR B 233
 None
 1.17A 1c9sL-5k1cB:
undetectable
1c9sV-5k1cB:
undetectable		 1c9sL-5k1cB:
11.98
1c9sV-5k1cB:
11.98
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.
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
 0.95A 1c9sL-5l3dA:
undetectable
1c9sV-5l3dA:
undetectable		 1c9sL-5l3dA:
6.27
1c9sV-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
 1.05A 1c9sL-5lgcA:
undetectable
1c9sV-5lgcA:
undetectable		 1c9sL-5lgcA:
17.89
1c9sV-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.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 SER A2008
GLY A2074
HIS A2081
THR A2083
ILE A2072
 None
 1.16A 1c9sL-5nnnA:
undetectable
1c9sV-5nnnA:
undetectable		 1c9sL-5nnnA:
15.08
1c9sV-5nnnA:
15.08
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.
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 1c9sL-5o1mA:
undetectable
1c9sV-5o1mA:
undetectable		 1c9sL-5o1mA:
12.64
1c9sV-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
 1.10A 1c9sL-5o6yB:
undetectable
1c9sV-5o6yB:
undetectable		 1c9sL-5o6yB:
undetectable
1c9sV-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
 1.15A 1c9sL-5u6fA:
2.1
1c9sV-5u6fA:
1.9		 1c9sL-5u6fA:
undetectable
1c9sV-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
 0.89A 1c9sL-5u6fA:
2.1
1c9sV-5u6fA:
1.9		 1c9sL-5u6fA:
undetectable
1c9sV-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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 5 GLY A 248
GLY A 166
ALA A 244
THR A 161
ILE A 167
 None
 0.91A 1c9sL-5w4cA:
undetectable
1c9sV-5w4cA:
undetectable		 1c9sL-5w4cA:
undetectable
1c9sV-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
 0.94A 1c9sL-5x5tA:
undetectable
1c9sV-5x5tA:
undetectable		 1c9sL-5x5tA:
10.44
1c9sV-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 248
THR A 246
GLY A 269
HIS A 158
ILE A 153
 None
 1.03A 1c9sL-5yapA:
undetectable
1c9sV-5yapA:
undetectable		 1c9sL-5yapA:
undetectable
1c9sV-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
 1.06A 1c9sL-5ygrA:
undetectable
1c9sV-5ygrA:
undetectable		 1c9sL-5ygrA:
undetectable
1c9sV-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
 1.09A 1c9sL-5zlnA:
undetectable
1c9sV-5zlnA:
undetectable		 1c9sL-5zlnA:
undetectable
1c9sV-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 GLY A 261
THR A 265
ALA A 380
THR A 165
ILE A 133
 HEM  A 501 (-3.6A)
HEM  A 501 (-3.8A)
None
None
None
 1.19A 1c9sL-6bldA:
undetectable
1c9sV-6bldA:
undetectable		 1c9sL-6bldA:
undetectable
1c9sV-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.
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
 1.02A 1c9sL-6fc0A:
0.6
1c9sV-6fc0A:
undetectable		 1c9sL-6fc0A:
undetectable
1c9sV-6fc0A:
undetectable