SIMILAR PATTERNS OF AMINO ACIDS FOR 4QOG_A_ML1A302

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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 348
ILE A 419
PHE A 293
GLY A 302
 None
 0.99A 4qogA-1dedA:
undetectable
4qogB-1dedA:
undetectable		 4qogA-1dedA:
17.69
4qogB-1dedA:
17.69
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.
1l3l TRANSCRIPTIONAL
ACTIVATOR PROTEIN
TRAR

(Agrobacterium
tumefaciens) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 PHE A 128
ILE A 155
PHE A  32
ILE A  14
 None
 0.97A 4qogA-1l3lA:
undetectable
4qogB-1l3lA:
undetectable		 4qogA-1l3lA:
22.01
4qogB-1l3lA:
22.01
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ILE A 378
PHE A  12
GLY A 374
ILE A 466
 None
 0.95A 4qogA-1mewA:
undetectable
4qogB-1mewA:
undetectable		 4qogA-1mewA:
17.71
4qogB-1mewA:
17.71
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 272
ILE A 268
PHE A 292
GLY A 115
 None
 0.93A 4qogA-1o99A:
4.1
4qogB-1o99A:
2.5		 4qogA-1o99A:
18.69
4qogB-1o99A:
18.69
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.
1oby SYNTENIN 1

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A 269
GLY A 231
MET A 201
ILE A 221
 None
 0.73A 4qogA-1obyA:
undetectable
4qogB-1obyA:
undetectable		 4qogA-1obyA:
16.82
4qogB-1obyA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A 441
ILE A 439
TRP A 371
GLY A 375
 None
 0.95A 4qogA-1pvdA:
3.1
4qogB-1pvdA:
3.1		 4qogA-1pvdA:
18.39
4qogB-1pvdA:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrd QUINONE-REDUCTASE

(Rattus rattus) 		PF02525
(Flavodoxin_2) 		4 TRP A 105
PHE A 106
GLY A 149
MET A 154
 DQN  A 276 ( 3.6A)
DQN  A 276 ( 4.2A)
CBD  A 275 ( 3.7A)
CBD  A 275 ( 4.4A)
 0.45A 4qogA-1qrdA:
29.6
4qogB-1qrdA:
29.2		 4qogA-1qrdA:
41.88
4qogB-1qrdA:
41.88
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.
1s4y INHIBIN BETA A CHAIN

(Homo sapiens) 		PF00019
(TGF_beta) 		4 PHE B  16
GLY B  34
MET B  89
ILE B  29
 None
 0.98A 4qogA-1s4yB:
undetectable
4qogB-1s4yB:
undetectable		 4qogA-1s4yB:
17.26
4qogB-1s4yB:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfs HYPOTHETICAL PROTEIN

(Geobacillus
stearothermophilus) 		PF08924
(DUF1906) 		4 PHE A  68
ILE A 103
GLY A 129
ILE A 159
 None
 0.81A 4qogA-1sfsA:
undetectable
4qogB-1sfsA:
undetectable		 4qogA-1sfsA:
22.26
4qogB-1sfsA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ILE A 448
PHE A 442
GLY A 595
ILE A 482
 None
 0.81A 4qogA-1suvA:
2.4
4qogB-1suvA:
2.6		 4qogA-1suvA:
17.48
4qogB-1suvA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 PHE P 348
ILE P 269
PHE P 285
GLY P 266
 None
 0.88A 4qogA-1svcP:
undetectable
4qogB-1svcP:
undetectable		 4qogA-1svcP:
20.71
4qogB-1svcP:
20.71
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.
1um7 SYNAPSE-ASSOCIATED
PROTEIN 102

(Homo sapiens) 		PF00595
(PDZ) 		4 PHE A  42
ILE A  41
PHE A 105
GLY A  38
 None
 0.94A 4qogA-1um7A:
undetectable
4qogB-1um7A:
undetectable		 4qogA-1um7A:
20.96
4qogB-1um7A:
20.96
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.
1vl7 HYPOTHETICAL PROTEIN
ALR5027

(Nostoc sp. PCC
7120) 		PF01243
(Putative_PNPOx) 		4 PHE A  39
ILE A  41
PHE A  71
GLY A  13
 None
 0.94A 4qogA-1vl7A:
undetectable
4qogB-1vl7A:
undetectable		 4qogA-1vl7A:
21.67
4qogB-1vl7A:
21.67
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.
1wvi PUTATIVE
PHOSPHATASES
INVOLVED IN
N-ACETYL-GLUCOSAMINE
CATABOLISM

(Streptococcus
mutans) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ILE A1202
PHE A1027
GLY A1205
ILE A1212
 None
 0.88A 4qogA-1wviA:
3.4
4qogB-1wviA:
3.4		 4qogA-1wviA:
22.99
4qogB-1wviA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y96 GEM-ASSOCIATED
PROTEIN 6
GEM-ASSOCIATED
PROTEIN 7

(Homo sapiens) 		PF06372
(Gemin6)
PF11095
(Gemin7) 		4 PHE A  86
PHE B  92
GLY A  59
ILE A  44
 None
 0.92A 4qogA-1y96A:
undetectable
4qogB-1y96A:
undetectable		 4qogA-1y96A:
15.02
4qogB-1y96A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ydf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ILE A 203
PHE A  28
GLY A 206
ILE A 213
 None
 0.77A 4qogA-1ydfA:
3.3
4qogB-1ydfA:
3.3		 4qogA-1ydfA:
24.64
4qogB-1ydfA:
24.64
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.
1yv9 HYDROLASE, HALOACID
DEHALOGENASE FAMILY

(Enterococcus
faecalis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 ILE A 204
PHE A  29
GLY A 207
ILE A 214
 None
 0.92A 4qogA-1yv9A:
undetectable
4qogB-1yv9A:
3.4		 4qogA-1yv9A:
21.99
4qogB-1yv9A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		4 PHE A  84
PHE A  85
GLY A 194
ILE A 295
 None
 0.98A 4qogA-2aniA:
undetectable
4qogB-2aniA:
undetectable		 4qogA-2aniA:
20.40
4qogB-2aniA:
20.40
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.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 PHE A 199
ILE A 167
PHE A 226
ILE A 146
 None
 0.98A 4qogA-2avtA:
undetectable
4qogB-2avtA:
undetectable		 4qogA-2avtA:
21.54
4qogB-2avtA:
21.54
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.
2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		4 PHE A 150
ILE A  56
PHE A 146
ILE A  12
 None
 0.96A 4qogA-2bu2A:
undetectable
4qogB-2bu2A:
undetectable		 4qogA-2bu2A:
19.70
4qogB-2bu2A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dyb NEUTROPHIL CYTOSOL
FACTOR 4

(Homo sapiens) 		PF00018
(SH3_1)
PF00564
(PB1)
PF00787
(PX) 		4 PHE A 133
ILE A  43
PHE A 132
ILE A 106
 None
 0.91A 4qogA-2dybA:
undetectable
4qogB-2dybA:
undetectable		 4qogA-2dybA:
22.44
4qogB-2dybA:
22.44
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ILE A 135
PHE A 154
GLY A 205
ILE A 210
 None
 0.94A 4qogA-2gf2A:
6.6
4qogB-2gf2A:
6.4		 4qogA-2gf2A:
24.30
4qogB-2gf2A:
24.30
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.
2gtt NUCLEOPROTEIN

(Rabies
lyssavirus) 		PF00945
(Rhabdo_ncap) 		4 ILE A 312
PHE A 260
GLY A 306
MET A 272
 None
 0.97A 4qogA-2gttA:
undetectable
4qogB-2gttA:
undetectable		 4qogA-2gttA:
21.64
4qogB-2gttA:
21.64
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 271
ILE A 267
PHE A 291
GLY A 114
 None
 0.93A 4qogA-2ifyA:
4.3
4qogB-2ifyA:
4.3		 4qogA-2ifyA:
19.13
4qogB-2ifyA:
19.13
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.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		4 PHE A 126
ILE A 103
PHE A 149
GLY A 138
 None
 0.88A 4qogA-2iq7A:
undetectable
4qogB-2iq7A:
undetectable		 4qogA-2iq7A:
20.58
4qogB-2iq7A:
20.58
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.
2iu8 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Chlamydia
trachomatis) 		PF00132
(Hexapep)
PF04613
(LpxD) 		4 ILE A 285
GLY A 280
MET A 293
ILE A 263
 None
PLM  A1349 (-3.7A)
None
None
 0.83A 4qogA-2iu8A:
undetectable
4qogB-2iu8A:
undetectable		 4qogA-2iu8A:
19.54
4qogB-2iu8A:
19.54
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.
2v73 PUTATIVE
EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF02973
(Sialidase) 		4 ILE A  40
PHE A 135
GLY A  56
ILE A 146
 None
 0.81A 4qogA-2v73A:
undetectable
4qogB-2v73A:
undetectable		 4qogA-2v73A:
21.43
4qogB-2v73A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		4 PHE A 271
ILE A 331
TRP A  95
GLY A 236
 None
 0.89A 4qogA-2x5fA:
undetectable
4qogB-2x5fA:
2.8		 4qogA-2x5fA:
19.23
4qogB-2x5fA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		4 PHE A  67
PHE A  63
GLY A  82
ILE A  92
 PG4  A1302 (-3.7A)
None
None
None
 0.93A 4qogA-2xuzA:
3.5
4qogB-2xuzA:
2.2		 4qogA-2xuzA:
21.69
4qogB-2xuzA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 ILE A 408
GLY A 395
MET A  29
ILE A 392
 None
 0.86A 4qogA-2zxhA:
2.0
4qogB-2zxhA:
undetectable		 4qogA-2zxhA:
16.06
4qogB-2zxhA:
16.06
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.
2zzw ABC TRANSPORTER,
SOLUTE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF03480
(DctP) 		4 PHE A 188
ILE A 160
PHE A 172
GLY A 238
 None
 0.91A 4qogA-2zzwA:
undetectable
4qogB-2zzwA:
undetectable		 4qogA-2zzwA:
19.45
4qogB-2zzwA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9b VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 75

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		4 PHE A 125
ILE A 105
TRP A 185
ILE A  83
 None
 0.89A 4qogA-3c9bA:
undetectable
4qogB-3c9bA:
undetectable		 4qogA-3c9bA:
22.22
4qogB-3c9bA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		4 ILE A 471
PHE A 388
GLY A 608
ILE A 657
 None
 0.92A 4qogA-3d3lA:
undetectable
4qogB-3d3lA:
undetectable		 4qogA-3d3lA:
18.68
4qogB-3d3lA:
18.68
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF19

(Schizosaccharomyces
pombe) 		no annotation 4 PHE c 628
ILE c 477
PHE c 624
ILE c 505
 None
 0.86A 4qogA-3jb9c:
undetectable
4qogB-3jb9c:
undetectable		 4qogA-3jb9c:
16.95
4qogB-3jb9c:
16.95
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.
3jup PHENAZINE
BIOSYNTHESIS PROTEIN
A/B

(Burkholderia
lata) 		PF03284
(PHZA_PHZB) 		4 PHE A 128
ILE A 135
PHE A 141
GLY A  52
 None
None
None
AKD  A 500 ( 4.7A)
 0.97A 4qogA-3jupA:
undetectable
4qogB-3jupA:
undetectable		 4qogA-3jupA:
22.09
4qogB-3jupA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jv4 NUCLEAR FACTOR
NF-KAPPA-B P105
SUBUNIT

(Mus musculus) 		PF16179
(RHD_dimer) 		4 PHE B 345
ILE B 266
PHE B 282
GLY B 263
 None
 0.91A 4qogA-3jv4B:
undetectable
4qogB-3jv4B:
undetectable		 4qogA-3jv4B:
22.86
4qogB-3jv4B:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A 160
PHE A 237
PHE A 239
ILE A 182
 None
 0.82A 4qogA-3k4xA:
undetectable
4qogB-3k4xA:
undetectable		 4qogA-3k4xA:
14.67
4qogB-3k4xA:
14.67
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A 427
PHE A 504
PHE A 506
ILE A 449
 None
 0.87A 4qogA-3k4xA:
undetectable
4qogB-3k4xA:
undetectable		 4qogA-3k4xA:
14.67
4qogB-3k4xA:
14.67
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A 694
PHE A 771
PHE A 773
ILE A 716
 None
 0.81A 4qogA-3k4xA:
undetectable
4qogB-3k4xA:
undetectable		 4qogA-3k4xA:
14.67
4qogB-3k4xA:
14.67
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		4 PHE A  20
PHE A  34
GLY A  62
ILE A  50
 None
 0.88A 4qogA-3o7tA:
undetectable
4qogB-3o7tA:
undetectable		 4qogA-3o7tA:
23.61
4qogB-3o7tA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 4 PHE B 239
ILE B 232
PHE B 268
GLY B 276
 None
 0.88A 4qogA-3ogkB:
undetectable
4qogB-3ogkB:
undetectable		 4qogA-3ogkB:
18.66
4qogB-3ogkB:
18.66
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		4 PHE A 228
GLY A 117
MET A 208
ILE A  29
 None
 0.99A 4qogA-3omnA:
undetectable
4qogB-3omnA:
undetectable		 4qogA-3omnA:
18.81
4qogB-3omnA:
18.81
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		4 PHE A 265
PHE A 249
GLY A 243
MET A 206
 MLI  A 601 (-4.8A)
None
ATP  A 600 (-3.3A)
None
 0.92A 4qogA-3q60A:
undetectable
4qogB-3q60A:
undetectable		 4qogA-3q60A:
20.59
4qogB-3q60A:
20.59
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.
3qr3 ENDOGLUCANASE EG-II

(Trichoderma
reesei) 		PF00150
(Cellulase) 		4 ILE A 214
PHE A 241
GLY A 288
ILE A  58
 None
 0.97A 4qogA-3qr3A:
undetectable
4qogB-3qr3A:
undetectable		 4qogA-3qr3A:
20.06
4qogB-3qr3A:
20.06
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.
3t5s MACROPHAGE MIGRATION
INHIBITORY FACTOR

(Giardia
intestinalis) 		PF01187
(MIF) 		4 ILE A  97
PHE A  88
GLY A  82
MET A  24
 None
 0.78A 4qogA-3t5sA:
undetectable
4qogB-3t5sA:
undetectable		 4qogA-3t5sA:
20.78
4qogB-3t5sA:
20.78
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.
3tat TYROSINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 ILE A  47
GLY A 391
MET A 359
ILE A  37
 None
 0.87A 4qogA-3tatA:
3.0
4qogB-3tatA:
3.0		 4qogA-3tatA:
20.29
4qogB-3tatA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
PHE A 106
GLY A 149
MET A 154
ILE A 194
 FAD  A 232 ( 4.3A)
FAD  A 232 ( 4.6A)
FAD  A 232 (-3.6A)
None
None
 0.31A 4qogA-3te7A:
39.8
4qogB-3te7A:
38.8		 4qogA-3te7A:
100.00
4qogB-3te7A:
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.
3v6o LEPTIN RECEPTOR
MONOCLONAL ANTIBODY
9F8 FAB FRAGMENT
HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
no annotation 		4 ILE C  26
PHE A 504
GLY C  35
ILE C  53
 None
ACT  C 301 (-3.8A)
None
None
 0.93A 4qogA-3v6oC:
undetectable
4qogB-3v6oC:
undetectable		 4qogA-3v6oC:
23.97
4qogB-3v6oC:
23.97
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.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ILE A  99
PHE A 167
GLY A  13
MET A 110
 None
 0.77A 4qogA-3w8sA:
undetectable
4qogB-3w8sA:
undetectable		 4qogA-3w8sA:
23.65
4qogB-3w8sA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ILE A 328
PHE A 614
GLY A 384
ILE A 432
 None
 0.95A 4qogA-3wfaA:
undetectable
4qogB-3wfaA:
undetectable		 4qogA-3wfaA:
14.17
4qogB-3wfaA:
14.17
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.
3wva UPF0254 PROTEIN
MJ1251

(Methanocaldococcus
jannaschii) 		PF06787
(UPF0254) 		4 ILE A  19
PHE A  35
GLY A 154
ILE A 120
 None
 0.93A 4qogA-3wvaA:
2.3
4qogB-3wvaA:
undetectable		 4qogA-3wvaA:
21.74
4qogB-3wvaA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		4 ILE A  14
PHE A 209
GLY A 183
ILE A 249
 NAD  A 301 (-3.8A)
None
NAD  A 301 (-4.9A)
None
 0.76A 4qogA-3wyeA:
5.6
4qogB-3wyeA:
5.9		 4qogA-3wyeA:
22.10
4qogB-3wyeA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ak1 BT_4661

(Bacteroides
thetaiotaomicron) 		PF16319
(DUF4958) 		4 ILE A  23
PHE A  61
PHE A  56
GLY A  81
 None
 0.98A 4qogA-4ak1A:
undetectable
4qogB-4ak1A:
undetectable		 4qogA-4ak1A:
16.22
4qogB-4ak1A:
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.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		4 PHE A 106
ILE A 108
PHE A 191
GLY A 176
 None
 0.68A 4qogA-4au7A:
undetectable
4qogB-4au7A:
undetectable		 4qogA-4au7A:
22.86
4qogB-4au7A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 PHE A 130
ILE A 385
PHE A  90
ILE A 117
 None
 0.94A 4qogA-4b99A:
undetectable
4qogB-4b99A:
undetectable		 4qogA-4b99A:
19.80
4qogB-4b99A:
19.80
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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04054
(Not1) 		4 PHE A1669
ILE A1672
GLY A1644
ILE A1640
 None
 0.97A 4qogA-4by6A:
undetectable
4qogB-4by6A:
undetectable		 4qogA-4by6A:
14.44
4qogB-4by6A:
14.44
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 PHE A 674
ILE A 681
PHE A 583
TRP A 494
 None
 0.91A 4qogA-4c4aA:
undetectable
4qogB-4c4aA:
undetectable		 4qogA-4c4aA:
15.85
4qogB-4c4aA:
15.85
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 ILE P  66
PHE P  34
GLY P 174
ILE P 215
 None
 0.95A 4qogA-4dvyP:
undetectable
4qogB-4dvyP:
undetectable		 4qogA-4dvyP:
13.19
4qogB-4dvyP:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 PHE A 301
PHE A 299
PHE A 133
GLY A 128
 None
 0.95A 4qogA-4e1oA:
undetectable
4qogB-4e1oA:
undetectable		 4qogA-4e1oA:
18.96
4qogB-4e1oA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 196
GLY A 226
MET A 213
ILE A 252
 None
 0.96A 4qogA-4e4fA:
undetectable
4qogB-4e4fA:
undetectable		 4qogA-4e4fA:
22.02
4qogB-4e4fA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1

(Saccharomyces
cerevisiae) 		PF16413
(Mlh1_C) 		4 PHE A 533
ILE A 749
PHE A 743
GLY A 563
 None
 0.98A 4qogA-4e4wA:
undetectable
4qogB-4e4wA:
undetectable		 4qogA-4e4wA:
20.47
4qogB-4e4wA:
20.47
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.
4fin ETTA (YJJK) ABCF
FAMILY PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF12848
(ABC_tran_Xtn) 		4 PHE A 344
ILE A 346
PHE A 522
GLY A 353
 None
 0.95A 4qogA-4finA:
undetectable
4qogB-4finA:
undetectable		 4qogA-4finA:
17.03
4qogB-4finA:
17.03
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 PHE A 191
PHE A 192
TRP A 209
GLY A 146
 None
 0.81A 4qogA-4gl3A:
undetectable
4qogB-4gl3A:
undetectable		 4qogA-4gl3A:
18.31
4qogB-4gl3A:
18.31
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		4 PHE A 211
ILE A 245
GLY A 260
ILE A 281
 None
 0.79A 4qogA-4gnrA:
2.6
4qogB-4gnrA:
2.5		 4qogA-4gnrA:
19.17
4qogB-4gnrA:
19.17
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 PHE A 230
ILE A 253
GLY A 263
ILE A 286
 None
 0.98A 4qogA-4kngA:
undetectable
4qogB-4kngA:
undetectable		 4qogA-4kngA:
17.60
4qogB-4kngA:
17.60
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.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		4 PHE A 335
ILE A 261
PHE A 342
GLY A 348
 None
 0.88A 4qogA-4kq7A:
undetectable
4qogB-4kq7A:
undetectable		 4qogA-4kq7A:
19.89
4qogB-4kq7A:
19.89
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.
4l60 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A 160
PHE A 237
PHE A 239
ILE A 182
 None
 0.97A 4qogA-4l60A:
undetectable
4qogB-4l60A:
undetectable		 4qogA-4l60A:
22.70
4qogB-4l60A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l63 ECXA

(Escherichia
coli) 		PF16313
(DUF4953) 		4 PHE A 112
ILE A 177
GLY A 182
ILE A 217
 None
 0.97A 4qogA-4l63A:
undetectable
4qogB-4l63A:
undetectable		 4qogA-4l63A:
21.91
4qogB-4l63A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mx8 PERIPLASMIC BINDING
PROTEIN

(Xylanimonas
cellulosilytica) 		PF01497
(Peripla_BP_2) 		4 PHE A 214
ILE A 167
TRP A 290
PHE A 294
 None
 0.79A 4qogA-4mx8A:
2.1
4qogB-4mx8A:
2.1		 4qogA-4mx8A:
21.88
4qogB-4mx8A:
21.88
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		4 TRP A 776
PHE A 785
GLY A 807
ILE A 430
 None
 0.93A 4qogA-4n75A:
undetectable
4qogB-4n75A:
undetectable		 4qogA-4n75A:
20.10
4qogB-4n75A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 4 ILE E 254
TRP E 307
PHE E  98
GLY E 275
 None
None
PLP  E 501 (-4.7A)
None
 0.93A 4qogA-4obuE:
2.3
4qogB-4obuE:
undetectable		 4qogA-4obuE:
20.21
4qogB-4obuE:
20.21
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.
4q6g PYRROLYSINE--TRNA
LIGASE

(Methanosarcina
mazei) 		PF01409
(tRNA-synt_2d) 		4 PHE A 306
ILE A 413
PHE A 348
GLY A 403
 ALY  A 508 ( 4.8A)
EDO  A 506 ( 4.7A)
ALY  A 508 (-4.9A)
None
 0.88A 4qogA-4q6gA:
undetectable
4qogB-4q6gA:
undetectable		 4qogA-4q6gA:
22.14
4qogB-4q6gA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqx SORTASE

(Streptococcus
mutans) 		PF04203
(Sortase) 		4 PHE A 152
ILE A 103
PHE A 108
GLY A  95
 None
 0.87A 4qogA-4tqxA:
undetectable
4qogB-4tqxA:
undetectable		 4qogA-4tqxA:
20.32
4qogB-4tqxA:
20.32
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.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 PHE A 230
ILE A 253
GLY A 263
ILE A 286
 None
 0.98A 4qogA-4ufsA:
undetectable
4qogB-4ufsA:
undetectable		 4qogA-4ufsA:
17.17
4qogB-4ufsA:
17.17
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.
4y21 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		4 PHE A 281
ILE A 284
GLY A 296
ILE A 294
 None
 0.85A 4qogA-4y21A:
undetectable
4qogB-4y21A:
undetectable		 4qogA-4y21A:
17.75
4qogB-4y21A:
17.75
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.
4ywz SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		no annotation 4 PHE A  15
ILE A  19
GLY A  60
ILE A  62
 None
 0.84A 4qogA-4ywzA:
undetectable
4qogB-4ywzA:
undetectable		 4qogA-4ywzA:
19.48
4qogB-4ywzA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2p SYNTENIN-1

(Rattus
norvegicus) 		PF00595
(PDZ) 		4 ILE A 271
GLY A 233
MET A 203
ILE A 223
 None
 0.85A 4qogA-5a2pA:
undetectable
4qogB-5a2pA:
undetectable		 4qogA-5a2pA:
19.56
4qogB-5a2pA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ILE A 832
PHE A 501
PHE A 467
ILE A 824
 None
 0.85A 4qogA-5a55A:
2.1
4qogB-5a55A:
2.2		 4qogA-5a55A:
12.08
4qogB-5a55A:
12.08
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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A  35
PHE A  31
GLY A  22
ILE A  53
 None
 0.96A 4qogA-5dgtA:
3.9
4qogB-5dgtA:
2.5		 4qogA-5dgtA:
18.09
4qogB-5dgtA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		4 ILE A 335
PHE A 343
GLY A  64
ILE A 331
 None
 0.92A 4qogA-5dpdA:
undetectable
4qogB-5dpdA:
2.4		 4qogA-5dpdA:
18.05
4qogB-5dpdA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqq TWO PORE CALCIUM
CHANNEL PROTEIN 1

(Arabidopsis
thaliana) 		PF00520
(Ion_trans) 		4 PHE A 368
ILE A 348
PHE A 372
ILE A 334
 None
 0.97A 4qogA-5dqqA:
undetectable
4qogB-5dqqA:
undetectable		 4qogA-5dqqA:
15.33
4qogB-5dqqA:
15.33
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		4 PHE A  34
ILE A 226
GLY A  30
ILE A 233
 None
 0.96A 4qogA-5e2hA:
undetectable
4qogB-5e2hA:
undetectable		 4qogA-5e2hA:
21.61
4qogB-5e2hA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		4 PHE B  39
ILE B 231
GLY B  35
ILE B 238
 EDO  B 401 ( 4.6A)
None
MLY  B  36 ( 2.4A)
None
 0.85A 4qogA-5eviB:
undetectable
4qogB-5eviB:
undetectable		 4qogA-5eviB:
21.20
4qogB-5eviB:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fre EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF02973
(Sialidase) 		4 ILE A  35
PHE A 136
GLY A  51
ILE A 148
 None
 0.83A 4qogA-5freA:
undetectable
4qogB-5freA:
undetectable		 4qogA-5freA:
22.32
4qogB-5freA:
22.32
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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		4 ILE A 136
PHE A 109
PHE A 163
GLY A 172
 None
 0.98A 4qogA-5frsA:
undetectable
4qogB-5frsA:
undetectable		 4qogA-5frsA:
14.73
4qogB-5frsA:
14.73
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 ILE Y  92
PHE Y  23
GLY Y  71
ILE Y  73
 None
 0.96A 4qogA-5gaiY:
undetectable
4qogB-5gaiY:
undetectable		 4qogA-5gaiY:
14.84
4qogB-5gaiY:
14.84
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.
5lcn UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF12146
(Hydrolase_4) 		4 TRP A 275
GLY A 168
MET A 287
ILE A 165
 None
 0.82A 4qogA-5lcnA:
3.4
4qogB-5lcnA:
3.4		 4qogA-5lcnA:
21.60
4qogB-5lcnA:
21.60
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.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		4 ILE A  35
PHE A 151
GLY A 453
MET A 398
 None
 0.94A 4qogA-5mchA:
undetectable
4qogB-5mchA:
undetectable		 4qogA-5mchA:
18.10
4qogB-5mchA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		4 ILE A 428
PHE A 809
GLY A 331
ILE A 327
 None
 0.84A 4qogA-5mtzA:
undetectable
4qogB-5mtzA:
undetectable		 4qogA-5mtzA:
12.91
4qogB-5mtzA:
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 4 PHE A 422
GLY A 396
MET A 354
ILE A 330
 None
 0.97A 4qogA-5n6vA:
undetectable
4qogB-5n6vA:
undetectable		 4qogA-5n6vA:
17.27
4qogB-5n6vA:
17.27
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		4 PHE A 238
ILE A 224
GLY A 321
ILE A 106
 8R5  A 502 (-4.2A)
8R5  A 502 (-4.6A)
8R5  A 502 ( 3.3A)
None
 0.70A 4qogA-5nagA:
undetectable
4qogB-5nagA:
undetectable		 4qogA-5nagA:
19.96
4qogB-5nagA:
19.96
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.
5nck N-ACETYLMANNOSAMINE
KINASE

(Fusobacterium
nucleatum) 		PF00480
(ROK) 		4 PHE A 226
ILE A 222
GLY A 138
ILE A 136
 None
 0.84A 4qogA-5nckA:
undetectable
4qogB-5nckA:
undetectable		 4qogA-5nckA:
20.54
4qogB-5nckA:
20.54
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.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 4 PHE A 432
PHE A 424
GLY A 498
ILE A 494
 None
 0.95A 4qogA-5nf2A:
undetectable
4qogB-5nf2A:
undetectable		 4qogA-5nf2A:
15.38
4qogB-5nf2A:
15.38
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 PHE A 273
ILE A 269
PHE A 292
GLY A 120
 None
 0.90A 4qogA-5vpuA:
3.9
4qogB-5vpuA:
4.5		 4qogA-5vpuA:
18.57
4qogB-5vpuA:
18.57
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.
5wb9 N60P23 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 PHE H  29
ILE H  74
PHE H  33
GLY H  56
 None
 0.88A 4qogA-5wb9H:
undetectable
4qogB-5wb9H:
undetectable		 4qogA-5wb9H:
19.90
4qogB-5wb9H:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zut PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		no annotation 4 ILE A 160
PHE A 237
PHE A 239
ILE A 182
 None
 0.83A 4qogA-5zutA:
undetectable
4qogB-5zutA:
undetectable		 4qogA-5zutA:
16.14
4qogB-5zutA:
16.14
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.
6bcq TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Mus musculus) 		no annotation 4 PHE B 779
ILE B 905
PHE B1065
TRP B 680
 None
 0.97A 4qogA-6bcqB:
2.9
4qogB-6bcqB:
3.4		 4qogA-6bcqB:
13.85
4qogB-6bcqB:
13.85
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.
6ei9 TRNA-DIHYDROURIDINE
SYNTHASE B

(Escherichia
coli) 		no annotation 4 ILE A 140
PHE A 177
GLY A 170
ILE A 186
 None
GOL  A 402 (-3.9A)
None
None
 0.95A 4qogA-6ei9A:
undetectable
4qogB-6ei9A:
undetectable		 4qogA-6ei9A:
16.74
4qogB-6ei9A:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 PHE A2532
PHE A2453
TRP A2465
GLY A2423
 None
 0.76A 4qogA-6fb3A:
undetectable
4qogB-6fb3A:
undetectable		 4qogA-6fb3A:
19.47
4qogB-6fb3A:
19.47
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.
6g94 PROBABLE
NI/FE-HYDROGENASE 1
B-TYPE CYTOCHROME
SUBUNIT

(Escherichia
coli) 		no annotation 4 PHE A 148
ILE A 144
PHE A 163
ILE A  78
 HEM  A 301 (-3.7A)
HEM  A 301 ( 4.4A)
None
None
 0.87A 4qogA-6g94A:
undetectable
4qogB-6g94A:
undetectable		 4qogA-6g94A:
18.06
4qogB-6g94A:
18.06