SIMILAR PATTERNS OF AMINO ACIDS FOR 2QWX_B_ML1B233

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.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLY A 418
GLY A 477
PHE A 297
PHE A 319
 None
 0.96A 2qwxA-1bbuA:
undetectable
2qwxB-1bbuA:
undetectable		 2qwxA-1bbuA:
18.05
2qwxB-1bbuA:
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLY A 418
GLY A 477
PHE A 297
PHE A 319
 GOL  A 605 (-4.0A)
LAD  A 601 (-3.4A)
None
None
 0.88A 2qwxA-1e1tA:
undetectable
2qwxB-1e1tA:
undetectable		 2qwxA-1e1tA:
18.50
2qwxB-1e1tA:
18.50
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.
1eom ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F3

(Elizabethkingia
meningoseptica) 		PF00704
(Glyco_hydro_18) 		4 GLY A 147
GLY A 229
GLN A 263
PHE A 240
 None
 0.89A 2qwxA-1eomA:
undetectable
2qwxB-1eomA:
undetectable		 2qwxA-1eomA:
20.53
2qwxB-1eomA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		4 GLY A 427
GLY A 350
PHE A 600
PHE A 612
 None
 0.92A 2qwxA-1g8xA:
undetectable
2qwxB-1g8xA:
undetectable		 2qwxA-1g8xA:
14.36
2qwxB-1g8xA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLY A 192
GLY A 182
GLN A  89
PHE A  96
 None
 0.97A 2qwxA-1gz4A:
3.6
2qwxB-1gz4A:
3.7		 2qwxA-1gz4A:
18.44
2qwxB-1gz4A:
18.44
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		4 GLY A 224
GLY A 429
PHE A 422
PHE A 216
 None
 0.96A 2qwxA-1gz7A:
2.4
2qwxB-1gz7A:
1.8		 2qwxA-1gz7A:
18.73
2qwxB-1gz7A:
18.73
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.
1gzj EGI

(Thermoascus
aurantiacus) 		PF00150
(Cellulase) 		4 TRP A 113
GLY A 157
GLN A 119
PHE A 128
 None
 0.85A 2qwxA-1gzjA:
2.1
2qwxB-1gzjA:
2.1		 2qwxA-1gzjA:
20.89
2qwxB-1gzjA:
20.89
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.
1h7k CATALASE

(Proteus
mirabilis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A  62
MET A  88
GLN A 219
PHE A  92
 None
 0.96A 2qwxA-1h7kA:
undetectable
2qwxB-1h7kA:
undetectable		 2qwxA-1h7kA:
20.00
2qwxB-1h7kA:
20.00
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 GLY A 438
GLY A 361
PHE A 611
PHE A 623
 None
 0.89A 2qwxA-1jx2A:
4.1
2qwxB-1jx2A:
3.6		 2qwxA-1jx2A:
12.93
2qwxB-1jx2A:
12.93
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.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 MET A 213
GLY A 240
PHE A 235
PHE A 250
 None
 0.91A 2qwxA-1kfiA:
undetectable
2qwxB-1kfiA:
undetectable		 2qwxA-1kfiA:
16.58
2qwxB-1kfiA:
16.58
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.
1ni6 HEME OXYGENASE 1

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		4 GLY A 144
GLY A 163
PHE A  47
PHE A  37
 None
 0.99A 2qwxA-1ni6A:
undetectable
2qwxB-1ni6A:
undetectable		 2qwxA-1ni6A:
22.05
2qwxB-1ni6A:
22.05
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.
1o0s NAD-DEPENDENT MALIC
ENZYME

(Ascaris suum) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLY A 208
GLY A 198
GLN A 103
PHE A 110
 None
 0.98A 2qwxA-1o0sA:
3.7
2qwxB-1o0sA:
undetectable		 2qwxA-1o0sA:
16.83
2qwxB-1o0sA:
16.83
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.
1o9b HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN YDIB

(Escherichia
coli) 		PF08501
(Shikimate_dh_N) 		4 MET A 284
GLY A  34
PHE A 267
PHE A 275
 None
 0.93A 2qwxA-1o9bA:
6.4
2qwxB-1o9bA:
6.3		 2qwxA-1o9bA:
23.47
2qwxB-1o9bA:
23.47
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.
1oj1 RC-RNASE6
RIBONUCLEASE

(Rana
catesbeiana) 		PF00074
(RnaseA) 		4 GLY A 102
GLY A  81
GLN A  67
PHE A  98
 None
None
CG2  A1106 (-3.1A)
CG2  A1106 ( 4.6A)
 0.78A 2qwxA-1oj1A:
undetectable
2qwxB-1oj1A:
undetectable		 2qwxA-1oj1A:
16.60
2qwxB-1oj1A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLY A  82
MET A 122
GLY A  31
PHE A 128
 None
 0.85A 2qwxA-1ozhA:
2.2
2qwxB-1ozhA:
4.3		 2qwxA-1ozhA:
19.16
2qwxB-1ozhA:
19.16
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLY A  82
MET A 122
GLY A  31
PHE A 164
 None
 0.91A 2qwxA-1ozhA:
2.2
2qwxB-1ozhA:
4.3		 2qwxA-1ozhA:
19.16
2qwxB-1ozhA:
19.16
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 GLY A 170
GLY A 198
GLN A 192
PHE A 108
 None
 0.00A 2qwxA-1q5aA:
undetectable
2qwxB-1q5aA:
undetectable		 2qwxA-1q5aA:
13.81
2qwxB-1q5aA:
13.81
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.
1rrv GLYCOSYLTRANSFERASE
GTFD

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		4 GLY A 310
GLY A 275
PHE A 296
PHE A 300
 GLY  A 310 ( 0.0A)
GLY  A 275 ( 0.0A)
PHE  A 296 (-1.3A)
PHE  A 300 ( 1.3A)
 0.96A 2qwxA-1rrvA:
5.3
2qwxB-1rrvA:
5.5		 2qwxA-1rrvA:
21.53
2qwxB-1rrvA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2v ARP2/3 COMPLEX 34KDA
SUBUNIT

(Bos taurus) 		PF04045
(P34-Arc) 		4 GLY D 188
GLY D 178
PHE D 247
PHE D 225
 None
 0.89A 2qwxA-1u2vD:
undetectable
2qwxB-1u2vD:
undetectable		 2qwxA-1u2vD:
21.29
2qwxB-1u2vD:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uis RED FLUORESCENT
PROTEIN FP611

(Entacmaea
quadricolor) 		PF01353
(GFP) 		4 GLY A 156
GLY A 152
PHE A  79
PHE A  80
 None
 0.97A 2qwxA-1uisA:
undetectable
2qwxB-1uisA:
undetectable		 2qwxA-1uisA:
20.38
2qwxB-1uisA:
20.38
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 GLY A 394
GLY A 385
PHE A 318
PHE A 319
 None
 0.80A 2qwxA-1ut9A:
undetectable
2qwxB-1ut9A:
undetectable		 2qwxA-1ut9A:
18.33
2qwxB-1ut9A:
18.33
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		4 GLY A 332
GLN A 354
PHE A 115
PHE A  88
 None
 0.97A 2qwxA-1uuoA:
undetectable
2qwxB-1uuoA:
undetectable		 2qwxA-1uuoA:
22.89
2qwxB-1uuoA:
22.89
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.
1vlm SAM-DEPENDENT
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		4 GLY A  45
MET A  65
GLY A 126
PHE A  16
 None
 0.77A 2qwxA-1vlmA:
undetectable
2qwxB-1vlmA:
undetectable		 2qwxA-1vlmA:
23.21
2qwxB-1vlmA:
23.21
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.
1zag PROTEIN
(ZINC-ALPHA-2-GLYCOP
ROTEIN)

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 GLY A 102
GLN A  70
PHE A  39
PHE A  38
 None
 0.90A 2qwxA-1zagA:
undetectable
2qwxB-1zagA:
undetectable		 2qwxA-1zagA:
23.81
2qwxB-1zagA:
23.81
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.
2a4e CADHERIN-11

(Mus musculus) 		PF00028
(Cadherin) 		4 GLY A 162
GLY A 190
GLN A 184
PHE A 106
 None
 0.98A 2qwxA-2a4eA:
undetectable
2qwxB-2a4eA:
undetectable		 2qwxA-2a4eA:
21.71
2qwxB-2a4eA:
21.71
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		4 GLY A 182
GLY A 172
GLN A  79
PHE A  86
 None
 0.92A 2qwxA-2aw5A:
3.7
2qwxB-2aw5A:
3.9		 2qwxA-2aw5A:
17.27
2qwxB-2aw5A:
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.
2dou PROBABLE
N-SUCCINYLDIAMINOPIM
ELATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		4 TRP A  75
GLY A 244
GLY A  81
PHE A 226
 None
 0.94A 2qwxA-2douA:
2.3
2qwxB-2douA:
2.2		 2qwxA-2douA:
20.00
2qwxB-2douA:
20.00
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLY A  71
MET A  33
GLY A 112
PHE A  45
 None
 0.94A 2qwxA-2e6kA:
undetectable
2qwxB-2e6kA:
3.1		 2qwxA-2e6kA:
17.60
2qwxB-2e6kA:
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.
2e7t BASIC AGGLUTININ

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		4 GLY A 157
GLY A  88
PHE A 152
PHE A 179
 None
 0.98A 2qwxA-2e7tA:
undetectable
2qwxB-2e7tA:
undetectable		 2qwxA-2e7tA:
21.59
2qwxB-2e7tA:
21.59
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLY A 189
GLY A 193
GLN A 199
PHE A 203
 None
 0.94A 2qwxA-2hlpA:
5.0
2qwxB-2hlpA:
5.0		 2qwxA-2hlpA:
22.04
2qwxB-2hlpA:
22.04
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.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE

(Bacillus
halodurans) 		PF02608
(Bmp) 		4 GLY A   3
GLY A  39
PHE A  68
PHE A  72
 None
 0.85A 2qwxA-2hqbA:
5.8
2qwxB-2hqbA:
5.8		 2qwxA-2hqbA:
23.18
2qwxB-2hqbA:
23.18
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLY A  62
MET A  88
GLN A 219
PHE A  92
 None
 0.95A 2qwxA-2isaA:
undetectable
2qwxB-2isaA:
undetectable		 2qwxA-2isaA:
20.41
2qwxB-2isaA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mqs MATRIX
METALLOPROTEINASE-14
THP_L_AND_M_CHAIN

(;
Homo sapiens) 		PF00045
(Hemopexin)
PF01391
(Collagen) 		4 GLY A 352
GLY B  15
PHE A 360
PHE A 341
 None
 0.87A 2qwxA-2mqsA:
undetectable
2qwxB-2mqsA:
undetectable		 2qwxA-2mqsA:
22.17
2qwxB-2mqsA:
22.17
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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 TRP A 244
GLY A 371
MET A 261
GLY A 192
PHE A 253
 None
 1.30A 2qwxA-2p8uA:
undetectable
2qwxB-2p8uA:
undetectable		 2qwxA-2p8uA:
20.13
2qwxB-2p8uA:
20.13
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLY A 289
GLY A 242
PHE A 381
PHE A 382
 GLY  A 289 ( 0.0A)
GLY  A 242 ( 0.0A)
PHE  A 381 ( 1.3A)
PHE  A 382 ( 1.3A)
 0.96A 2qwxA-2vbfA:
undetectable
2qwxB-2vbfA:
undetectable		 2qwxA-2vbfA:
16.35
2qwxB-2vbfA:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 TRP A 474
GLY A 635
PHE A 601
PHE A 476
 None
 0.98A 2qwxA-2vycA:
7.0
2qwxB-2vycA:
6.7		 2qwxA-2vycA:
16.10
2qwxB-2vycA:
16.10
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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 TRP A 281
GLY A 408
MET A 298
GLY A 229
PHE A 290
 None
 1.34A 2qwxA-2wyaA:
undetectable
2qwxB-2wyaA:
undetectable		 2qwxA-2wyaA:
19.26
2qwxB-2wyaA:
19.26
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.
2xq1 PEROXISOMAL CATALASE

(Ogataea angusta) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 GLY A 107
GLY A 194
GLN A 185
PHE A 144
PHE A 154
 None
 1.47A 2qwxA-2xq1A:
undetectable
2qwxB-2xq1A:
undetectable		 2qwxA-2xq1A:
18.09
2qwxB-2xq1A:
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.
2znw SCFV10

(Mus musculus;
synthetic
construct) 		PF07686
(V-set) 		4 GLY A 171
GLY A 222
GLN A  89
PHE A  98
 None
1PG  A 243 ( 4.7A)
1PG  A 243 (-3.2A)
None
 0.92A 2qwxA-2znwA:
undetectable
2qwxB-2znwA:
undetectable		 2qwxA-2znwA:
20.61
2qwxB-2znwA:
20.61
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		4 TRP A 394
GLY A 400
PHE A 415
PHE A 411
 None
 0.93A 2qwxA-3a3cA:
undetectable
2qwxB-3a3cA:
undetectable		 2qwxA-3a3cA:
20.32
2qwxB-3a3cA:
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.
3ax6 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermotoga
maritima) 		PF02222
(ATP-grasp) 		4 GLY A 266
MET A 181
GLY A 345
PHE A 278
 None
 0.95A 2qwxA-3ax6A:
3.4
2qwxB-3ax6A:
3.4		 2qwxA-3ax6A:
19.90
2qwxB-3ax6A:
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 GLY A 330
GLY A 310
PHE A 295
PHE A 357
 None
 0.89A 2qwxA-3b7fA:
undetectable
2qwxB-3b7fA:
undetectable		 2qwxA-3b7fA:
19.75
2qwxB-3b7fA:
19.75
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		4 GLY A 198
MET A 193
GLY A 170
PHE A 245
 None
 0.98A 2qwxA-3bilA:
4.1
2qwxB-3bilA:
4.9		 2qwxA-3bilA:
24.29
2qwxB-3bilA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdh TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY

(Ruegeria
pomeroyi) 		PF01047
(MarR) 		4 TRP A  43
GLY A 104
GLY A  37
GLN A  36
 GOL  A 207 ( 4.6A)
None
None
None
 0.97A 2qwxA-3cdhA:
undetectable
2qwxB-3cdhA:
undetectable		 2qwxA-3cdhA:
21.50
2qwxB-3cdhA:
21.50
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.
3cn7 CARBOXYLESTERASE

(Pseudomonas
aeruginosa) 		PF02230
(Abhydrolase_2) 		4 GLY A 116
GLY A 133
PHE A 124
PHE A 144
 None
 0.95A 2qwxA-3cn7A:
3.1
2qwxB-3cn7A:
undetectable		 2qwxA-3cn7A:
21.58
2qwxB-3cn7A:
21.58
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.
3dkn PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Canis lupus) 		PF00344
(SecY) 		4 GLY A 289
GLY A 273
GLN A 270
PHE A  58
 None
 0.72A 2qwxA-3dknA:
undetectable
2qwxB-3dknA:
undetectable		 2qwxA-3dknA:
21.94
2qwxB-3dknA:
21.94
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.
3eh7 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLY A 273
GLY A  65
GLN A 331
PHE A 270
 None
 0.85A 2qwxA-3eh7A:
undetectable
2qwxB-3eh7A:
undetectable		 2qwxA-3eh7A:
21.41
2qwxB-3eh7A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3esf IRON-CONTAINING
SUPEROXIDE DISMUTASE
B2

(Trypanosoma
brucei) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TRP A 127
GLN A 194
PHE A  78
PHE A  74
 None
 0.96A 2qwxA-3esfA:
undetectable
2qwxB-3esfA:
undetectable		 2qwxA-3esfA:
21.25
2qwxB-3esfA:
21.25
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		4 TRP A 133
GLY A 106
GLY A 296
PHE A 146
 SAH  A 401 (-3.8A)
None
None
None
 0.92A 2qwxA-3i58A:
undetectable
2qwxB-3i58A:
undetectable		 2qwxA-3i58A:
22.90
2qwxB-3i58A:
22.90
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLY A 478
GLY A 413
PHE A 271
PHE A 387
 None
 0.98A 2qwxA-3jysA:
undetectable
2qwxB-3jysA:
undetectable		 2qwxA-3jysA:
18.42
2qwxB-3jysA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 GLY A  71
GLY A  89
PHE A 101
PHE A 100
 None
 0.82A 2qwxA-3l2eA:
undetectable
2qwxB-3l2eA:
undetectable		 2qwxA-3l2eA:
20.37
2qwxB-3l2eA:
20.37
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 GLY A 166
GLY A 465
PHE A 125
PHE A 123
 GOL  A 501 (-3.2A)
None
GOL  A 501 (-4.8A)
None
 0.78A 2qwxA-3oepA:
undetectable
2qwxB-3oepA:
undetectable		 2qwxA-3oepA:
18.69
2qwxB-3oepA:
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.
3qom 6-PHOSPHO-BETA-GLUCO
SIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		4 GLY A 377
GLY A 419
PHE A 466
PHE A 442
 None
 0.92A 2qwxA-3qomA:
undetectable
2qwxB-3qomA:
undetectable		 2qwxA-3qomA:
18.79
2qwxB-3qomA:
18.79
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 GLY A 278
GLY A 287
PHE A 310
PHE A 299
 None
 0.97A 2qwxA-3qtpA:
undetectable
2qwxB-3qtpA:
undetectable		 2qwxA-3qtpA:
18.31
2qwxB-3qtpA:
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.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 GLY A 258
GLY A  16
GLN A 204
PHE A 251
 None
 0.73A 2qwxA-3rv2A:
undetectable
2qwxB-3rv2A:
undetectable		 2qwxA-3rv2A:
19.75
2qwxB-3rv2A:
19.75
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.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 GLY A 244
GLY A  15
GLN A 195
PHE A 237
 None
 0.84A 2qwxA-3so4A:
undetectable
2qwxB-3so4A:
undetectable		 2qwxA-3so4A:
22.39
2qwxB-3so4A:
22.39
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) 		4 GLY A  68
GLN A 122
PHE A 126
PHE A 178
 TE7  A   1 ( 4.1A)
TE7  A   1 ( 4.3A)
TE7  A   1 (-4.3A)
TE7  A   1 (-3.6A)
 0.20A 2qwxA-3te7A:
39.7
2qwxB-3te7A:
39.0		 2qwxA-3te7A:
100.00
2qwxB-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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 483
GLY A 104
PHE A 520
PHE A 387
 None
 0.86A 2qwxA-3v9eA:
undetectable
2qwxB-3v9eA:
undetectable		 2qwxA-3v9eA:
16.84
2qwxB-3v9eA:
16.84
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 GLY A  74
GLY A 207
GLN A 205
PHE A  93
 None
AMP  A 402 (-3.1A)
None
None
 0.78A 2qwxA-3vgjA:
undetectable
2qwxB-3vgjA:
2.1		 2qwxA-3vgjA:
18.16
2qwxB-3vgjA:
18.16
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A  24
GLY A 125
PHE A  89
PHE A 118
 None
 0.97A 2qwxA-3x1bA:
undetectable
2qwxB-3x1bA:
undetectable		 2qwxA-3x1bA:
19.54
2qwxB-3x1bA:
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.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		4 GLY A 158
GLY A 154
GLN A 140
PHE A 138
 None
 0.91A 2qwxA-3zokA:
3.6
2qwxB-3zokA:
3.3		 2qwxA-3zokA:
20.37
2qwxB-3zokA:
20.37
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.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		4 GLY A 169
GLY A 154
GLN A 140
PHE A 138
 None
 0.91A 2qwxA-3zokA:
3.6
2qwxB-3zokA:
3.3		 2qwxA-3zokA:
20.37
2qwxB-3zokA:
20.37
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		4 GLY X 382
MET X 384
PHE X 613
PHE X 609
 None
 0.82A 2qwxA-3zyyX:
undetectable
2qwxB-3zyyX:
undetectable		 2qwxA-3zyyX:
18.89
2qwxB-3zyyX:
18.89
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.
4akk NITRATE REGULATORY
PROTEIN

(Klebsiella
oxytoca) 		PF03861
(ANTAR)
PF08376
(NIT) 		4 GLY A 173
GLN A 203
PHE A 207
PHE A 222
 EDO  A1392 (-4.4A)
None
None
None
 0.93A 2qwxA-4akkA:
undetectable
2qwxB-4akkA:
undetectable		 2qwxA-4akkA:
18.40
2qwxB-4akkA:
18.40
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.
4f9p 103.2 ANTI-BTN3A1
ANTIBODY FRAGMENT

(Mus musculus) 		no annotation 4 GLY D  49
GLY D 102
GLN D 225
PHE D 234
 None
 0.83A 2qwxA-4f9pD:
undetectable
2qwxB-4f9pD:
undetectable		 2qwxA-4f9pD:
21.05
2qwxB-4f9pD:
21.05
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.
4fgw GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(+)] 1

(Saccharomyces
cerevisiae) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 GLY A 355
GLY A 157
PHE A 279
PHE A 360
 None
 0.96A 2qwxA-4fgwA:
5.1
2qwxB-4fgwA:
5.2		 2qwxA-4fgwA:
20.51
2qwxB-4fgwA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 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 TRP A 209
GLY A 146
PHE A 191
PHE A 192
 None
 0.97A 2qwxA-4gl3A:
undetectable
2qwxB-4gl3A:
undetectable		 2qwxA-4gl3A:
18.31
2qwxB-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.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		4 GLY A 120
GLY A 201
PHE A  89
PHE A 100
 None
 0.95A 2qwxA-4i93A:
undetectable
2qwxB-4i93A:
undetectable		 2qwxA-4i93A:
22.19
2qwxB-4i93A:
22.19
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.
4jnc BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 GLY A 266
GLY A 458
PHE A 405
PHE A 409
 None
 0.91A 2qwxA-4jncA:
undetectable
2qwxB-4jncA:
3.1		 2qwxA-4jncA:
21.85
2qwxB-4jncA:
21.85
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		4 GLY A 395
GLY A 341
PHE A 372
PHE A 390
 None
 0.96A 2qwxA-4kh3A:
undetectable
2qwxB-4kh3A:
undetectable		 2qwxA-4kh3A:
18.50
2qwxB-4kh3A:
18.50
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.
4omu SHIKIMATE
DEHYDROGENASE

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 GLY A  97
GLY A  54
PHE A   7
PHE A  43
 None
 0.88A 2qwxA-4omuA:
5.3
2qwxB-4omuA:
undetectable		 2qwxA-4omuA:
24.67
2qwxB-4omuA:
24.67
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.
4pgw UNCHARACTERIZED
PROTEIN YETJ

(Bacillus
subtilis) 		PF01027
(Bax1-I) 		4 GLY A 112
GLY A 102
PHE A 196
PHE A  20
 None
 0.98A 2qwxA-4pgwA:
undetectable
2qwxB-4pgwA:
undetectable		 2qwxA-4pgwA:
23.11
2qwxB-4pgwA:
23.11
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.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		4 GLY A  74
MET A 162
GLY A 219
PHE A 317
 None
 0.98A 2qwxA-4q34A:
undetectable
2qwxB-4q34A:
undetectable		 2qwxA-4q34A:
22.35
2qwxB-4q34A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 GLY A 100
GLY A  71
PHE A 551
PHE A 553
 None
 0.95A 2qwxA-4qeiA:
3.8
2qwxB-4qeiA:
3.9		 2qwxA-4qeiA:
16.83
2qwxB-4qeiA:
16.83
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.
4qgk FATTY ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 GLY A 400
GLY A 412
GLN A 120
PHE A 182
 None
 0.86A 2qwxA-4qgkA:
3.0
2qwxB-4qgkA:
undetectable		 2qwxA-4qgkA:
19.17
2qwxB-4qgkA:
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.
4qpn PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21B

(Homo sapiens) 		PF10294
(Methyltransf_16) 		4 GLY A 149
GLY A 164
PHE A 191
PHE A 192
 None
 0.97A 2qwxA-4qpnA:
undetectable
2qwxB-4qpnA:
2.5		 2qwxA-4qpnA:
24.41
2qwxB-4qpnA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsl FRUCTOSYL PEPTIDE
OXIDASE

(Penicillium
terrenum) 		PF01266
(DAO) 		4 TRP A 149
GLY A 263
PHE A 332
PHE A 141
 None
 0.91A 2qwxA-4rslA:
undetectable
2qwxB-4rslA:
undetectable		 2qwxA-4rslA:
20.85
2qwxB-4rslA:
20.85
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		4 TRP A  86
GLY A 382
GLY A 373
PHE A  92
 None
None
FAD  A 500 (-3.1A)
None
 0.88A 2qwxA-4wctA:
undetectable
2qwxB-4wctA:
undetectable		 2qwxA-4wctA:
19.95
2qwxB-4wctA:
19.95
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 329
GLY A 105
GLN A 195
PHE A 199
 None
 0.95A 2qwxA-4xoxA:
undetectable
2qwxB-4xoxA:
undetectable		 2qwxA-4xoxA:
19.90
2qwxB-4xoxA:
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.
4zrs ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 GLY A  -1
GLY A 283
GLN A 100
PHE A  96
 None
 0.97A 2qwxA-4zrsA:
undetectable
2qwxB-4zrsA:
undetectable		 2qwxA-4zrsA:
21.15
2qwxB-4zrsA:
21.15
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.
5all SOLUBLE EPOXIDE
HYDROLASE

(Homo sapiens) 		PF00561
(Abhydrolase_1)
PF13419
(HAD_2) 		4 GLY A 266
GLY A 458
PHE A 405
PHE A 409
 None
 0.92A 2qwxA-5allA:
4.4
2qwxB-5allA:
3.0		 2qwxA-5allA:
17.81
2qwxB-5allA:
17.81
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 4 TRP A 479
GLY A 494
GLY A 394
PHE A 485
 None
 0.88A 2qwxA-5awpA:
undetectable
2qwxB-5awpA:
undetectable		 2qwxA-5awpA:
16.92
2qwxB-5awpA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c91 E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00632
(HECT) 		4 GLY A 654
GLY A 643
PHE A 752
PHE A 660
 None
 0.95A 2qwxA-5c91A:
undetectable
2qwxB-5c91A:
undetectable		 2qwxA-5c91A:
19.53
2qwxB-5c91A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		4 GLY A 514
MET A 517
GLY A 202
PHE A 221
 None
 0.92A 2qwxA-5c9iA:
undetectable
2qwxB-5c9iA:
undetectable		 2qwxA-5c9iA:
14.30
2qwxB-5c9iA:
14.30
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.
5fka STAPHYLOCOCCAL
ENTEROTOXIN E

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 GLY C  89
GLY C  93
PHE C  58
PHE C  57
 None
 0.91A 2qwxA-5fkaC:
undetectable
2qwxB-5fkaC:
undetectable		 2qwxA-5fkaC:
21.37
2qwxB-5fkaC:
21.37
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.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN

(Klebsiella
pneumoniae) 		PF13407
(Peripla_BP_4) 		4 GLY A 133
GLN A 271
PHE A  46
PHE A  47
 None
 0.96A 2qwxA-5hsgA:
5.8
2qwxB-5hsgA:
5.8		 2qwxA-5hsgA:
20.25
2qwxB-5hsgA:
20.25
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.
5i77 ENDO-BETA-1,
4-GLUCANASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		4 TRP A 140
GLY A 184
GLN A 146
PHE A 155
 None
 0.88A 2qwxA-5i77A:
undetectable
2qwxB-5i77A:
undetectable		 2qwxA-5i77A:
20.38
2qwxB-5i77A:
20.38
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.
5jay 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Paraburkholderia
xenovorans) 		PF00155
(Aminotran_1_2) 		4 GLY A  98
GLY A 290
PHE A 213
PHE A 250
 None
 0.80A 2qwxA-5jayA:
undetectable
2qwxB-5jayA:
undetectable		 2qwxA-5jayA:
20.20
2qwxB-5jayA:
20.20
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 GLY A 168
GLY A 214
PHE A 223
PHE A 225
 FAD  A 501 (-3.5A)
None
None
None
 0.82A 2qwxA-5l6fA:
undetectable
2qwxB-5l6fA:
undetectable		 2qwxA-5l6fA:
19.24
2qwxB-5l6fA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		4 GLY A 210
GLY A 300
PHE A 188
PHE A 219
 3UK  A 900 ( 3.2A)
3UK  A 900 (-3.8A)
None
None
 0.87A 2qwxA-5oe5A:
2.1
2qwxB-5oe5A:
2.2		 2qwxA-5oe5A:
19.95
2qwxB-5oe5A:
19.95
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 GLY A 242
GLY A  14
GLN A 193
PHE A 235
 None
 0.77A 2qwxA-5t8tA:
undetectable
2qwxB-5t8tA:
undetectable		 2qwxA-5t8tA:
21.75
2qwxB-5t8tA:
21.75
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.
5usf TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Leishmania
donovani) 		PF00579
(tRNA-synt_1b) 		4 GLY A  50
GLY A 182
GLN A 180
PHE A  69
 None
YSA  A 701 (-3.3A)
None
None
 0.80A 2qwxA-5usfA:
undetectable
2qwxB-5usfA:
2.2		 2qwxA-5usfA:
15.74
2qwxB-5usfA:
15.74
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.
5xh9 EXTRACELLULAR
INVERTASE

(Aspergillus
kawachii) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 TRP A 370
GLY A 294
GLY A 338
PHE A 376
 None
None
NA  A 701 (-4.8A)
None
 0.91A 2qwxA-5xh9A:
undetectable
2qwxB-5xh9A:
undetectable		 2qwxA-5xh9A:
17.89
2qwxB-5xh9A:
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.
5yge AMINO-ACID
ACETYLTRANSFERASE

(Mycobacterium
tuberculosis) 		no annotation 4 GLY A  66
GLY A  91
PHE A 121
PHE A 122
 None
ACO  A 201 (-3.2A)
ACO  A 201 ( 4.4A)
ACO  A 201 (-4.6A)
 0.88A 2qwxA-5ygeA:
undetectable
2qwxB-5ygeA:
undetectable		 2qwxA-5ygeA:
20.37
2qwxB-5ygeA:
20.37
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.
6cg6 CADHERIN-10

(Mus musculus) 		no annotation 4 GLY A 162
GLY A 190
GLN A 184
PHE A 106
 None
 0.97A 2qwxA-6cg6A:
undetectable
2qwxB-6cg6A:
undetectable		 2qwxA-6cg6A:
18.87
2qwxB-6cg6A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 4 TRP A 312
GLY A 301
GLY A 388
PHE A 428
 None
 0.98A 2qwxA-6d35A:
undetectable
2qwxB-6d35A:
undetectable		 2qwxA-6d35A:
20.11
2qwxB-6d35A:
20.11
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.
6dgi D-ALANINE--D-ALANINE
LIGASE

(Vibrio cholerae) 		no annotation 4 GLY A 300
GLY A 105
PHE A 321
PHE A 318
 None
 0.97A 2qwxA-6dgiA:
2.8
2qwxB-6dgiA:
undetectable		 2qwxA-6dgiA:
16.09
2qwxB-6dgiA:
16.09
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 4 GLY A 185
GLY A 231
PHE A 241
PHE A 243
 FAD  A 601 (-3.5A)
None
None
None
 0.80A 2qwxA-6eo5A:
undetectable
2qwxB-6eo5A:
undetectable		 2qwxA-6eo5A:
15.02
2qwxB-6eo5A:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 TRP A2465
GLY A2423
PHE A2532
PHE A2453
 None
 0.92A 2qwxA-6fb3A:
undetectable
2qwxB-6fb3A:
undetectable		 2qwxA-6fb3A:
19.47
2qwxB-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.
6ffl MALTOSE/MALTODEXTRIN
TRANSPORT PERMEASE
HOMOLOGUE

(Bdellovibrio
bacteriovorus) 		no annotation 4 GLY A 234
MET A 117
GLY A  14
PHE A 248
 None
 0.81A 2qwxA-6fflA:
undetectable
2qwxB-6fflA:
undetectable		 2qwxA-6fflA:
15.45
2qwxB-6fflA:
15.45