SIMILAR PATTERNS OF AMINO ACIDS FOR 1C9S_P_TRPP81_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 412
ALA A 510
THR A 500
THR A 417
SER A 245
 None
None
None
TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
 1.07A 1c9sP-1l5jA:
undetectable
1c9sQ-1l5jA:
undetectable		 1c9sP-1l5jA:
7.07
1c9sQ-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.
1n94 PROTEIN
FARNESYLTRANSFERASE
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 HIS B  80
THR B 363
HIS B  78
ILE B 107
GLY B 348
 None
 1.13A 1c9sP-1n94B:
undetectable
1c9sQ-1n94B:
undetectable		 1c9sP-1n94B:
11.59
1c9sQ-1n94B:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 ALA A 414
THR A 569
THR A 568
ILE A 416
GLY A 532
 None
 1.12A 1c9sP-1qu2A:
0.0
1c9sQ-1qu2A:
0.0		 1c9sP-1qu2A:
7.28
1c9sQ-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 209
HIS B 219
THR B 223
ILE B 248
GLY B 262
 None
MGM  B 379 (-3.7A)
None
None
None
 0.96A 1c9sP-1tnuB:
0.0
1c9sQ-1tnuB:
0.0		 1c9sP-1tnuB:
12.68
1c9sQ-1tnuB:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 GLY A 188
ALA A 196
THR A  49
THR A 183
THR A  40
 None
 1.13A 1c9sP-1v9cA:
undetectable
1c9sQ-1v9cA:
undetectable		 1c9sP-1v9cA:
19.25
1c9sQ-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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 GLY A 296
ALA A 197
HIS A 194
ILE A 291
GLY A 193
 None
 0.76A 1c9sP-1wd3A:
0.2
1c9sQ-1wd3A:
0.3		 1c9sP-1wd3A:
9.13
1c9sQ-1wd3A:
9.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 GLY A  15
ALA A  23
THR A 252
ILE A  13
SER A 495
 FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
None
 1.02A 1c9sP-1yy5A:
undetectable
1c9sQ-1yy5A:
undetectable		 1c9sP-1yy5A:
9.73
1c9sQ-1yy5A:
9.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 121
THR A 118
GLY A 184
THR A 186
 DGL  A1301 (-4.2A)
None
DGL  A1301 (-3.5A)
None
DGL  A1301 (-3.1A)
 1.02A 1c9sP-1zuwA:
undetectable
1c9sQ-1zuwA:
undetectable		 1c9sP-1zuwA:
13.97
1c9sQ-1zuwA:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 GLY A 537
THR A 659
HIS A 534
THR A 510
GLY A 533
 None
 1.03A 1c9sP-2c79A:
undetectable
1c9sQ-2c79A:
undetectable		 1c9sP-2c79A:
14.85
1c9sQ-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 THR A 129
THR A 128
ILE A  49
GLY A 104
THR A 106
 GOL  A 607 (-3.3A)
None
None
GOL  A 607 (-4.1A)
CO  A 603 (-4.0A)
 1.04A 1c9sP-2d2xA:
undetectable
1c9sQ-2d2xA:
undetectable		 1c9sP-2d2xA:
12.47
1c9sQ-2d2xA:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		5 ALA A  22
ILE A  67
GLY A  14
THR A 189
SER A  18
 None
None
SO4  A5001 (-4.0A)
None
SO4  A5001 (-2.7A)
 0.96A 1c9sP-2detA:
undetectable
1c9sQ-2detA:
undetectable		 1c9sP-2detA:
11.89
1c9sQ-2detA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
None
 0.93A 1c9sP-2dw4A:
undetectable
1c9sQ-2dw4A:
undetectable		 1c9sP-2dw4A:
8.15
1c9sQ-2dw4A:
8.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 HIS A 190
THR A 124
THR A 121
GLY A 187
THR A 189
 DGL  A 278 ( 4.5A)
None
DGL  A 278 (-3.6A)
None
DGL  A 278 (-3.0A)
 1.00A 1c9sP-2dwuA:
undetectable
1c9sQ-2dwuA:
undetectable		 1c9sP-2dwuA:
16.50
1c9sQ-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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 HIS A 554
ALA A 354
THR A 514
ILE A 349
GLY A 550
 None
 1.14A 1c9sP-2e6kA:
undetectable
1c9sQ-2e6kA:
undetectable		 1c9sP-2e6kA:
6.45
1c9sQ-2e6kA:
6.45
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.
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
 1.06A 1c9sP-2fffB:
undetectable
1c9sQ-2fffB:
undetectable		 1c9sP-2fffB:
11.03
1c9sQ-2fffB:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		5 GLY A 118
HIS A 115
ALA B 832
ILE B 837
GLY A 456
 None
 1.09A 1c9sP-2fjaA:
undetectable
1c9sQ-2fjaA:
undetectable		 1c9sP-2fjaA:
7.47
1c9sQ-2fjaA:
7.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 488
HIS A 497
ALA A 130
GLY A 499
SER A 132
 None
 0.98A 1c9sP-2fknA:
undetectable
1c9sQ-2fknA:
undetectable		 1c9sP-2fknA:
9.42
1c9sQ-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.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 GLY A 107
HIS A 106
THR A 202
THR A 237
GLY A 172
 None
None
MN  A   1 ( 3.7A)
None
None
 0.98A 1c9sP-2gtxA:
undetectable
1c9sQ-2gtxA:
undetectable		 1c9sP-2gtxA:
18.59
1c9sQ-2gtxA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzm GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 121
THR A 118
GLY A 184
THR A 186
 DGL  A 501 (-4.4A)
None
DGL  A 501 (-3.6A)
None
DGL  A 501 (-3.0A)
 1.01A 1c9sP-2gzmA:
undetectable
1c9sQ-2gzmA:
undetectable		 1c9sP-2gzmA:
13.75
1c9sQ-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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 GLY A 168
HIS A  70
ALA A 178
ILE A 205
GLY A 191
 None
 0.95A 1c9sP-2hj0A:
undetectable
1c9sQ-2hj0A:
undetectable		 1c9sP-2hj0A:
10.04
1c9sQ-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.
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
 0.87A 1c9sP-2i3aA:
undetectable
1c9sQ-2i3aA:
undetectable		 1c9sP-2i3aA:
12.78
1c9sQ-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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus) 		PF01177
(Asp_Glu_race) 		5 HIS A 186
THR A 119
THR A 116
GLY A 183
THR A 185
 DGL  A1267 (-4.4A)
None
DGL  A1267 (-3.7A)
None
DGL  A1267 (-2.8A)
 1.01A 1c9sP-2jfqA:
undetectable
1c9sQ-2jfqA:
undetectable		 1c9sP-2jfqA:
16.22
1c9sQ-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.
2qjp CYTOCHROME B
CYTOCHROME C1

(Rhodobacter
sphaeroides;
Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		5 GLY B 109
HIS B 111
ALA B 159
HIS A 291
GLY B   2
 None
 0.97A 1c9sP-2qjpB:
undetectable
1c9sQ-2qjpB:
undetectable		 1c9sP-2qjpB:
14.45
1c9sQ-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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLY A 492
HIS A 501
ALA A 134
GLY A 503
SER A 136
 None
 1.01A 1c9sP-2v7gA:
undetectable
1c9sQ-2v7gA:
undetectable		 1c9sP-2v7gA:
8.79
1c9sQ-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.
2vvt GLUTAMATE RACEMASE

(Enterococcus
faecalis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 121
THR A 118
GLY A 184
THR A 186
 I24  A1269 (-3.9A)
None
DGL  A1270 (-3.6A)
None
DGL  A1270 (-3.0A)
 1.02A 1c9sP-2vvtA:
undetectable
1c9sQ-2vvtA:
undetectable		 1c9sP-2vvtA:
12.76
1c9sQ-2vvtA:
12.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 GLY A  40
ALA A  73
ILE A  47
GLY A 180
THR A 182
 DGL  A1256 (-3.4A)
None
None
None
DGL  A1256 (-3.1A)
 1.10A 1c9sP-2w4iA:
undetectable
1c9sQ-2w4iA:
undetectable		 1c9sP-2w4iA:
14.79
1c9sQ-2w4iA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 HIS A 183
THR A 119
THR A 116
GLY A 180
THR A 182
 DGL  A1256 ( 4.5A)
None
DGL  A1256 (-3.5A)
None
DGL  A1256 (-3.1A)
 1.03A 1c9sP-2w4iA:
undetectable
1c9sQ-2w4iA:
undetectable		 1c9sP-2w4iA:
14.79
1c9sQ-2w4iA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w55 XANTHINE
DEHYDROGENASE

(Rhodobacter
capsulatus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 456
HIS B 314
ALA B 529
ILE B 457
GLY B 345
 None
None
HPA  B1780 ( 3.2A)
None
None
 0.91A 1c9sP-2w55B:
undetectable
1c9sQ-2w55B:
undetectable		 1c9sP-2w55B:
7.21
1c9sQ-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  95
THR A 223
HIS A  92
THR A  69
GLY A  91
 None
 0.99A 1c9sP-2y8uA:
undetectable
1c9sQ-2y8uA:
undetectable		 1c9sP-2y8uA:
14.60
1c9sQ-2y8uA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 170
ALA A 110
HIS A 215
ILE A 168
GLY A 114
 None
None
ZN  A5648 (-3.4A)
None
None
 1.15A 1c9sP-2z1aA:
undetectable
1c9sQ-2z1aA:
undetectable		 1c9sP-2z1aA:
9.33
1c9sQ-2z1aA:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		5 GLY A 138
ALA A 145
HIS A  91
ILE A 142
GLY A  94
 None
 1.15A 1c9sP-3b8iA:
undetectable
1c9sQ-3b8iA:
undetectable		 1c9sP-3b8iA:
13.45
1c9sQ-3b8iA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 GLY A 166
ALA A 194
THR A 284
ILE A 187
THR A 295
 None
 1.07A 1c9sP-3b9gA:
undetectable
1c9sQ-3b9gA:
undetectable		 1c9sP-3b9gA:
13.11
1c9sQ-3b9gA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		5 GLY A 281
ALA A 262
THR A 253
ILE A 279
GLY A 227
 None
 1.05A 1c9sP-3bblA:
undetectable
1c9sQ-3bblA:
undetectable		 1c9sP-3bblA:
14.08
1c9sQ-3bblA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 GLY A 274
ALA A 174
ILE A 291
GLY A 187
THR A 243
 None
 1.05A 1c9sP-3bilA:
undetectable
1c9sQ-3bilA:
undetectable		 1c9sP-3bilA:
12.79
1c9sQ-3bilA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 ALA A 187
THR A 426
THR A 414
ILE A 184
SER A 191
 None
 0.95A 1c9sP-3cb5A:
undetectable
1c9sQ-3cb5A:
undetectable		 1c9sP-3cb5A:
9.95
1c9sQ-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 223
HIS A 214
HIS A 136
GLY A 137
THR A 139
 None
 1.07A 1c9sP-3cygA:
undetectable
1c9sQ-3cygA:
undetectable		 1c9sP-3cygA:
16.97
1c9sQ-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 138
ALA A 216
THR A 133
ILE A 139
GLY A 220
 None
 0.98A 1c9sP-3d8xA:
undetectable
1c9sQ-3d8xA:
undetectable		 1c9sP-3d8xA:
13.12
1c9sQ-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 251
ALA A 107
THR A 247
ILE A 204
GLY A 332
 None
 0.93A 1c9sP-3fmqA:
undetectable
1c9sQ-3fmqA:
undetectable		 1c9sP-3fmqA:
13.14
1c9sQ-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.
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 B  14
HIS A 323
ALA B  86
ILE B  15
GLY A 354
 None
None
NIO  B5661 ( 3.7A)
None
NO3  A5658 (-3.7A)
 1.04A 1c9sP-3hrdB:
undetectable
1c9sQ-3hrdB:
undetectable		 1c9sP-3hrdB:
13.64
1c9sQ-3hrdB:
13.64
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.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.96A 1c9sP-3iwjA:
undetectable
1c9sQ-3iwjA:
undetectable		 1c9sP-3iwjA:
10.54
1c9sQ-3iwjA:
10.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 363
ALA A 352
THR A 378
ILE A 359
GLY A 396
 None
 0.93A 1c9sP-3iwkA:
undetectable
1c9sQ-3iwkA:
undetectable		 1c9sP-3iwkA:
10.34
1c9sQ-3iwkA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A  86
ALA A  94
THR A 246
ILE A  84
SER A 322
 AHZ  A 500 (-3.0A)
None
None
None
None
 1.15A 1c9sP-3jskA:
undetectable
1c9sQ-3jskA:
undetectable		 1c9sP-3jskA:
13.37
1c9sQ-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.
3oev PROTEASOME COMPONENT
C1

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 GLY F 219
HIS F  73
ALA F 146
HIS F 221
GLY F  75
 None
 1.13A 1c9sP-3oevF:
undetectable
1c9sQ-3oevF:
undetectable		 1c9sP-3oevF:
18.58
1c9sQ-3oevF:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		5 GLY A 333
HIS A 335
ALA A 326
THR A 301
GLY A 296
 None
 1.13A 1c9sP-3othA:
undetectable
1c9sQ-3othA:
undetectable		 1c9sP-3othA:
9.18
1c9sQ-3othA:
9.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3out GLUTAMATE RACEMASE

(Francisella
tularensis) 		PF01177
(Asp_Glu_race) 		5 HIS A 185
THR A 119
THR A 116
GLY A 182
THR A 184
 DGL  A 266 ( 4.8A)
None
DGL  A 266 ( 3.8A)
None
DGL  A 266 (-3.3A)
 1.02A 1c9sP-3outA:
undetectable
1c9sQ-3outA:
undetectable		 1c9sP-3outA:
12.83
1c9sQ-3outA:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY C1006
HIS C 884
ALA C1079
ILE C1007
GLY C 915
 None
None
RMO  C1317 ( 3.6A)
None
None
 0.92A 1c9sP-3sr6C:
undetectable
1c9sQ-3sr6C:
undetectable		 1c9sP-3sr6C:
7.93
1c9sQ-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 ALA A 124
THR A  14
ILE A  12
GLY A  94
SER A 120
 None
None
None
NAP  A 601 (-3.2A)
None
 0.98A 1c9sP-3toxA:
undetectable
1c9sQ-3toxA:
undetectable		 1c9sP-3toxA:
15.71
1c9sQ-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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 HIS A 518
HIS A 886
HIS A 927
THR A 928
ILE A 891
 None
 1.13A 1c9sP-3ux8A:
undetectable
1c9sQ-3ux8A:
undetectable		 1c9sP-3ux8A:
7.91
1c9sQ-3ux8A:
7.91
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) 		7 GLY A  23
HIS A  33
HIS A  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
None
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.24A 1c9sP-3zteA:
14.4
1c9sQ-3zteA:
14.4		 1c9sP-3zteA:
78.21
1c9sQ-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) 		7 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
None
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.30A 1c9sP-3zzlA:
13.2
1c9sQ-3zzlA:
13.1		 1c9sP-3zzlA:
71.43
1c9sQ-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) 		7 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.14A 1c9sP-3zzqA:
13.7
1c9sQ-3zzqA:
13.8		 1c9sP-3zzqA:
80.00
1c9sQ-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) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
None
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.16A 1c9sP-3zzsA:
13.6
1c9sQ-3zzsA:
13.6		 1c9sP-3zzsA:
100.00
1c9sQ-3zzsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  33 ( 1.0A)
HIS  A  34 ( 1.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.25A 1c9sP-4b27A:
13.2
1c9sQ-4b27A:
13.2		 1c9sP-4b27A:
76.32
1c9sQ-4b27A:
76.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 ALA A 500
THR A 572
THR A 545
ILE A 547
SER A 504
 None
 1.15A 1c9sP-4bx9A:
undetectable
1c9sQ-4bx9A:
undetectable		 1c9sP-4bx9A:
7.91
1c9sQ-4bx9A:
7.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ALA A  18
THR A  29
THR A   6
ILE A 159
GLY A  26
 None
 0.79A 1c9sP-4cnkA:
undetectable
1c9sQ-4cnkA:
undetectable		 1c9sP-4cnkA:
12.76
1c9sQ-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
 1.12A 1c9sP-4d9iA:
undetectable
1c9sQ-4d9iA:
undetectable		 1c9sP-4d9iA:
11.42
1c9sQ-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 350
ALA A 338
THR A 363
ILE A 346
GLY A 381
 None
None
None
None
GOL  A 600 (-4.6A)
 1.01A 1c9sP-4dalA:
undetectable
1c9sQ-4dalA:
undetectable		 1c9sP-4dalA:
9.83
1c9sQ-4dalA:
9.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		5 GLY A 106
HIS A 105
THR A 201
THR A 236
GLY A 171
 None
None
MN  A 301 ( 3.8A)
None
None
 1.00A 1c9sP-4fo7A:
undetectable
1c9sQ-4fo7A:
undetectable		 1c9sP-4fo7A:
15.30
1c9sQ-4fo7A:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fuk METHIONINE
AMINOPEPTIDASE

(Trypanosoma
brucei) 		PF00557
(Peptidase_M24) 		5 GLY A 221
HIS A 220
THR A 316
THR A 351
GLY A 286
 None
None
ZN  A 401 ( 3.6A)
None
None
 1.02A 1c9sP-4fukA:
undetectable
1c9sQ-4fukA:
undetectable		 1c9sP-4fukA:
11.94
1c9sQ-4fukA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 389
ALA A 397
THR A 626
ILE A 387
SER A 811
 FAD  A 901 (-3.3A)
None
None
None
None
 0.98A 1c9sP-4hsuA:
undetectable
1c9sQ-4hsuA:
undetectable		 1c9sP-4hsuA:
7.64
1c9sQ-4hsuA:
7.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 GLY A 239
HIS A 238
THR A 334
THR A 369
GLY A 304
 None
None
CO  A 401 ( 3.6A)
None
None
 1.00A 1c9sP-4hxxA:
undetectable
1c9sQ-4hxxA:
undetectable		 1c9sP-4hxxA:
11.80
1c9sQ-4hxxA:
11.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6m ACTIN-LIKE PROTEIN
ARP9

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 GLY B 191
THR B 340
THR B 339
ILE B 194
THR B 169
 None
 1.01A 1c9sP-4i6mB:
undetectable
1c9sQ-4i6mB:
undetectable		 1c9sP-4i6mB:
11.93
1c9sQ-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 365
ALA A 354
THR A 380
ILE A 361
GLY A 398
 None
 0.99A 1c9sP-4i8pA:
undetectable
1c9sQ-4i8pA:
undetectable		 1c9sP-4i8pA:
9.81
1c9sQ-4i8pA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 GLY A 364
ALA A 353
THR A 379
ILE A 360
GLY A 397
 None
 0.95A 1c9sP-4i8qA:
undetectable
1c9sQ-4i8qA:
undetectable		 1c9sP-4i8qA:
9.01
1c9sQ-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 109
HIS A 133
THR A  81
GLY A  85
SER A  88
 None
LMS  A 401 (-3.9A)
None
LMS  A 401 ( 4.7A)
None
 1.13A 1c9sP-4injA:
undetectable
1c9sQ-4injA:
undetectable		 1c9sP-4injA:
10.80
1c9sQ-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.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 GLY A 239
HIS A 238
THR A 334
THR A 369
GLY A 304
 None
None
CO  A 401 (-3.5A)
None
None
 1.00A 1c9sP-4iu6A:
undetectable
1c9sQ-4iu6A:
undetectable		 1c9sP-4iu6A:
12.50
1c9sQ-4iu6A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  33
ALA B  79
THR B  53
ILE B  51
SER B  77
 None
 1.02A 1c9sP-4jreB:
undetectable
1c9sQ-4jreB:
undetectable		 1c9sP-4jreB:
15.89
1c9sQ-4jreB:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l1g PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		PF01522
(Polysacc_deac_1) 		5 GLY A 129
THR A 255
HIS A 126
THR A 103
GLY A 125
 None
 1.12A 1c9sP-4l1gA:
undetectable
1c9sQ-4l1gA:
undetectable		 1c9sP-4l1gA:
12.31
1c9sQ-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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 GLY A 191
ALA A 119
ILE A 190
GLY A 206
THR A 174
 None
 1.02A 1c9sP-4m7gA:
undetectable
1c9sQ-4m7gA:
undetectable		 1c9sP-4m7gA:
17.16
1c9sQ-4m7gA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzy NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Enterococcus
faecalis) 		PF04095
(NAPRTase) 		5 GLY A 174
THR A 186
THR A 175
ILE A 320
GLY A 192
 None
 1.05A 1c9sP-4mzyA:
undetectable
1c9sQ-4mzyA:
undetectable		 1c9sP-4mzyA:
13.27
1c9sQ-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.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 GLY A 141
HIS A 140
THR A 236
THR A 271
GLY A 206
 NA  A 305 (-3.2A)
None
CO  A 302 (-3.4A)
NA  A 305 ( 3.9A)
None
 0.95A 1c9sP-4ookA:
undetectable
1c9sQ-4ookA:
undetectable		 1c9sP-4ookA:
13.69
1c9sQ-4ookA:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ord THIOESTERASE
SUPERFAMILY MEMBER 2

(Danio rerio) 		PF03061
(4HBT) 		5 GLY A  54
HIS A  57
THR A  50
ILE A  97
GLY A  58
 None
 1.10A 1c9sP-4ordA:
undetectable
1c9sQ-4ordA:
undetectable		 1c9sP-4ordA:
22.97
1c9sQ-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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 ALA A  46
THR A 143
THR A 158
ILE A 167
GLY A  50
 None
 1.10A 1c9sP-4ufcA:
undetectable
1c9sQ-4ufcA:
undetectable		 1c9sP-4ufcA:
6.66
1c9sQ-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 148
THR A 156
ILE A 149
GLY A 161
SER A 141
 None
 1.07A 1c9sP-4ureA:
undetectable
1c9sQ-4ureA:
undetectable		 1c9sP-4ureA:
17.32
1c9sQ-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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 GLY A  58
ALA A   8
THR A  83
THR A  82
ILE A  52
 None
None
EDO  A 403 (-4.1A)
None
None
 1.10A 1c9sP-4wjmA:
undetectable
1c9sQ-4wjmA:
undetectable		 1c9sP-4wjmA:
13.11
1c9sQ-4wjmA:
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		5 GLY A 272
ALA A 279
THR A 262
ILE A 276
GLY A  44
 None
 1.13A 1c9sP-4yfmA:
undetectable
1c9sQ-4yfmA:
undetectable		 1c9sP-4yfmA:
15.00
1c9sQ-4yfmA:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ygt UNCHARACTERIZED
PROTEIN YJGB

(Bacillus
subtilis) 		PF14172
(DUF4309) 		5 GLY A 110
ALA A  67
HIS A  81
ILE A 122
GLY A  85
 None
 1.13A 1c9sP-4ygtA:
undetectable
1c9sQ-4ygtA:
undetectable		 1c9sP-4ygtA:
20.62
1c9sQ-4ygtA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yra L-THREONINE
3-DEHYDROGENASE,
MITOCHONDRIAL

(Mus musculus) 		PF01370
(Epimerase) 		5 ALA A 326
THR A 236
GLY A 172
THR A 193
SER A 330
 None
 1.04A 1c9sP-4yraA:
undetectable
1c9sQ-4yraA:
undetectable		 1c9sP-4yraA:
12.91
1c9sQ-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 A1006
HIS A 884
ALA A1079
ILE A1007
GLY A 915
 None
None
URC  A3007 (-3.4A)
None
BCT  A3006 (-3.9A)
 0.91A 1c9sP-4yswA:
undetectable
1c9sQ-4yswA:
undetectable		 1c9sP-4yswA:
5.06
1c9sQ-4yswA:
5.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 GLY A 101
HIS A  98
HIS A  61
ILE A 103
GLY A  33
 None
 1.11A 1c9sP-5a62A:
undetectable
1c9sQ-5a62A:
undetectable		 1c9sP-5a62A:
17.15
1c9sQ-5a62A:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.20A 1c9sP-5eexA:
15.5
1c9sQ-5eexA:
15.5		 1c9sP-5eexA:
100.00
1c9sQ-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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 GLY A 175
ALA A 112
HIS A 220
ILE A 173
GLY A 116
 None
None
ZN  A 606 (-3.1A)
None
None
 1.12A 1c9sP-5h7wA:
undetectable
1c9sQ-5h7wA:
undetectable		 1c9sP-5h7wA:
8.88
1c9sQ-5h7wA:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hj7 GLUTAMATE RACEMASE

(Mycobacterium
tuberculosis) 		PF01177
(Asp_Glu_race) 		5 HIS A 187
THR A 122
THR A 119
GLY A 184
THR A 186
 DGL  A 301 ( 4.4A)
None
DGL  A 301 (-3.6A)
None
DGL  A 301 (-2.9A)
 1.04A 1c9sP-5hj7A:
undetectable
1c9sQ-5hj7A:
undetectable		 1c9sP-5hj7A:
16.27
1c9sQ-5hj7A:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		5 HIS A 188
THR A 123
THR A 120
GLY A 185
THR A 187
 DGL  A 301 (-4.4A)
None
DGL  A 301 (-3.5A)
None
DGL  A 301 (-3.0A)
 1.04A 1c9sP-5ijwA:
undetectable
1c9sQ-5ijwA:
undetectable		 1c9sP-5ijwA:
14.49
1c9sQ-5ijwA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 GLY B 378
ALA B 423
THR B 376
GLY B 343
THR B 327
 None
 1.05A 1c9sP-5iklB:
undetectable
1c9sQ-5iklB:
undetectable		 1c9sP-5iklB:
10.40
1c9sQ-5iklB:
10.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A 901 (-3.3A)
None
None
None
None
 0.96A 1c9sP-5l3dA:
undetectable
1c9sQ-5l3dA:
undetectable		 1c9sP-5l3dA:
6.27
1c9sQ-5l3dA:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		6 GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
GLY A  76
 None
 1.05A 1c9sP-5lgcA:
undetectable
1c9sQ-5lgcA:
undetectable		 1c9sP-5lgcA:
17.89
1c9sQ-5lgcA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmh HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Pseudomonas
aeruginosa) 		PF03466
(LysR_substrate) 		5 GLY A 154
HIS A 153
THR A 267
THR A 155
GLY A 150
 None
 1.09A 1c9sP-5mmhA:
undetectable
1c9sQ-5mmhA:
undetectable		 1c9sP-5mmhA:
17.67
1c9sQ-5mmhA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6y PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 5 GLY B 129
THR B 255
HIS B 126
THR B 103
GLY B 125
 None
NA  B 317 (-3.6A)
None
None
None
 1.11A 1c9sP-5o6yB:
undetectable
1c9sQ-5o6yB:
undetectable		 1c9sP-5o6yB:
undetectable
1c9sQ-5o6yB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6f LPXTG-MOTIF CELL
WALL ANCHOR DOMAIN
PROTEIN

(Mobiluncus
mulieris) 		no annotation 5 GLY A 225
ALA A 280
ILE A 269
GLY A  22
THR A  20
 None
 1.13A 1c9sP-5u6fA:
1.6
1c9sQ-5u6fA:
1.6		 1c9sP-5u6fA:
undetectable
1c9sQ-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 225
THR A 278
ILE A 269
GLY A  22
THR A  20
 None
 0.86A 1c9sP-5u6fA:
1.6
1c9sQ-5u6fA:
1.6		 1c9sP-5u6fA:
undetectable
1c9sQ-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.
5w16 GLUTAMATE RACEMASE

(Thermus
thermophilus) 		no annotation 5 HIS A 178
THR A 119
THR A 116
GLY A 175
THR A 177
 DGL  A 301 ( 3.9A)
None
DGL  A 301 (-3.5A)
None
DGL  A 301 (-2.9A)
 1.06A 1c9sP-5w16A:
undetectable
1c9sQ-5w16A:
undetectable		 1c9sP-5w16A:
undetectable
1c9sQ-5w16A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 GLY A  73
HIS A  72
HIS A  75
ILE A  37
GLY A 222
 None
 1.11A 1c9sP-5wslA:
undetectable
1c9sQ-5wslA:
undetectable		 1c9sP-5wslA:
12.21
1c9sQ-5wslA:
12.21
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 GLY A 356
ALA A 345
THR A 369
ILE A 352
GLY A 387
 None
 0.96A 1c9sP-5x5tA:
undetectable
1c9sQ-5x5tA:
undetectable		 1c9sP-5x5tA:
10.44
1c9sQ-5x5tA:
10.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 5 GLY A 269
HIS A 158
ILE A 153
GLY A 248
THR A 246
 None
 1.07A 1c9sP-5yapA:
undetectable
1c9sQ-5yapA:
undetectable		 1c9sP-5yapA:
undetectable
1c9sQ-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
 1.05A 1c9sP-5ygrA:
undetectable
1c9sQ-5ygrA:
undetectable		 1c9sP-5ygrA:
undetectable
1c9sQ-5ygrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 GLY A 134
HIS A 152
THR A 153
ILE A 135
SER A 149
 None
 1.12A 1c9sP-5zlnA:
undetectable
1c9sQ-5zlnA:
undetectable		 1c9sP-5zlnA:
undetectable
1c9sQ-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.
5znn SORTILIN

(Mus musculus) 		no annotation 5 GLY A 372
HIS A 362
HIS A 391
GLY A 398
THR A 400
 None
 1.15A 1c9sP-5znnA:
undetectable
1c9sQ-5znnA:
undetectable		 1c9sP-5znnA:
undetectable
1c9sQ-5znnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A  30
ALA A 255
ILE A  34
GLY A 351
SER A 355
 None
 1.04A 1c9sP-6bn2A:
undetectable
1c9sQ-6bn2A:
undetectable		 1c9sP-6bn2A:
undetectable
1c9sQ-6bn2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fc0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A 239
HIS A 233
THR A 234
GLY A 123
THR A 182
 None
 1.00A 1c9sP-6fc0A:
undetectable
1c9sQ-6fc0A:
undetectable		 1c9sP-6fc0A:
undetectable
1c9sQ-6fc0A:
undetectable