SIMILAR PATTERNS OF AMINO ACIDS FOR 1N13_D_AG2D7015

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.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		4 ARG A 308
LEU A  68
ASP A  64
GLY A 217
 None
 0.74A 1n13D-1agxA:
0.0
1n13E-1agxA:
undetectable		 1n13D-1agxA:
17.22
1n13E-1agxA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		4 LEU A 309
ARG A 308
LEU A  68
ASP A  64
 None
 0.85A 1n13D-1agxA:
0.0
1n13E-1agxA:
undetectable		 1n13D-1agxA:
17.22
1n13E-1agxA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aj8 CITRATE SYNTHASE

(Pyrococcus
furiosus) 		PF00285
(Citrate_synt) 		4 LEU A 212
LEU A  98
LEU A 105
GLY A 106
 None
 0.74A 1n13D-1aj8A:
0.0
1n13E-1aj8A:
undetectable		 1n13D-1aj8A:
19.06
1n13E-1aj8A:
9.57
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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A  61
LEU A 299
LEU A 306
GLY A  79
 None
 0.81A 1n13D-1as4A:
0.0
1n13E-1as4A:
0.0		 1n13D-1as4A:
14.45
1n13E-1as4A:
12.15
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.
1bvw PROTEIN
(CELLOBIOHYDROLASE
II)

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		4 LEU A 255
LEU A 228
LEU A 304
GLY A 303
 None
 0.84A 1n13D-1bvwA:
0.0
1n13E-1bvwA:
0.0		 1n13D-1bvwA:
14.05
1n13E-1bvwA:
9.27
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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		4 GLU A 386
LEU A 382
LEU A 170
GLY A 171
 None
HEM  A 430 (-4.6A)
None
None
 0.83A 1n13D-1cptA:
undetectable
1n13E-1cptA:
undetectable		 1n13D-1cptA:
14.18
1n13E-1cptA:
9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cxz PROTEIN (PKN)

(Homo sapiens) 		PF02185
(HR1) 		4 LEU B  70
LEU B  59
LEU B  66
GLY B  67
 None
 0.86A 1n13D-1cxzB:
undetectable
1n13E-1cxzB:
undetectable		 1n13D-1cxzB:
20.00
1n13E-1cxzB:
22.06
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 GLU A  34
LEU A  31
ASP A  29
GLY A 299
 None
 0.87A 1n13D-1d4eA:
0.0
1n13E-1d4eA:
0.0		 1n13D-1d4eA:
13.78
1n13E-1d4eA:
8.91
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.
1di4 LYSOZYME C

(Homo sapiens) 		PF00062
(Lys) 		4 LEU A  25
LEU A   8
LEU A  15
GLY A  16
 None
 0.88A 1n13D-1di4A:
0.0
1n13E-1di4A:
undetectable		 1n13D-1di4A:
18.66
1n13E-1di4A:
17.65
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 GLU A 187
ARG A 333
LEU A 286
LEU A 325
GLY A 324
 NAD  A 400 (-3.4A)
None
None
None
None
 1.32A 1n13D-1dqsA:
0.0
1n13E-1dqsA:
undetectable		 1n13D-1dqsA:
16.53
1n13E-1dqsA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT

(Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 537
ASP A  88
LEU A  89
GLY A  86
 None
 0.88A 1n13D-1e6vA:
0.3
1n13E-1e6vA:
undetectable		 1n13D-1e6vA:
11.53
1n13E-1e6vA:
6.70
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A1318
ARG A1546
ASP A1357
GLY A1090
 None
 0.88A 1n13D-1e6yA:
undetectable
1n13E-1e6yA:
undetectable		 1n13D-1e6yA:
11.42
1n13E-1e6yA:
8.33
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 ARG 1 248
LEU 1 343
ASP 1 252
LEU 1 188
 None
 0.75A 1n13D-1gt91:
undetectable
1n13E-1gt91:
0.0		 1n13D-1gt91:
13.55
1n13E-1gt91:
9.86
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.
1l9x GAMMA-GLUTAMYL
HYDROLASE

(Homo sapiens) 		PF07722
(Peptidase_C26) 		4 LEU A 247
GLU A 208
LEU A 193
LEU A 158
 None
 0.81A 1n13D-1l9xA:
undetectable
1n13E-1l9xA:
undetectable		 1n13D-1l9xA:
16.89
1n13E-1l9xA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 LEU A 416
GLU A 472
LEU A 460
LEU A 433
GLY A 434
 None
None
None
None
PLD  A2005 ( 4.6A)
 1.48A 1n13D-1lshA:
undetectable
1n13E-1lshA:
0.0		 1n13D-1lshA:
7.70
1n13E-1lshA:
4.00
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 GLU A  34
LEU A 377
LEU A 316
GLY A 313
 None
 0.88A 1n13D-1lwhA:
undetectable
1n13E-1lwhA:
0.0		 1n13D-1lwhA:
13.44
1n13E-1lwhA:
9.70
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.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		4 LEU A 166
LEU A 138
LEU A 122
GLY A 123
 None
 0.85A 1n13D-1m9sA:
undetectable
1n13E-1m9sA:
undetectable		 1n13D-1m9sA:
11.38
1n13E-1m9sA:
6.88
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A  98
LEU A  63
LEU A  70
GLY A  71
 None
 0.82A 1n13D-1mdfA:
undetectable
1n13E-1mdfA:
undetectable		 1n13D-1mdfA:
12.43
1n13E-1mdfA:
7.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 534
ASP A  85
LEU A  86
GLY A  83
 None
 0.81A 1n13D-1mroA:
0.7
1n13E-1mroA:
undetectable		 1n13D-1mroA:
10.79
1n13E-1mroA:
9.29
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.
1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		4 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.16A 1n13D-1mt1A:
undetectable
1n13E-1mt1A:
6.5		 1n13D-1mt1A:
28.26
1n13E-1mt1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		4 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.19A 1n13D-1n2mA:
18.2
1n13E-1n2mA:
3.0		 1n13D-1n2mA:
67.88
1n13E-1n2mA:
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.
1pg6 HYPOTHETICAL PROTEIN
SPYM3_0169

(Streptococcus
pyogenes) 		PF01987
(AIM24) 		4 LEU A 140
GLU A 221
LEU A 189
GLY A 130
 None
 0.64A 1n13D-1pg6A:
undetectable
1n13E-1pg6A:
undetectable		 1n13D-1pg6A:
20.33
1n13E-1pg6A:
16.16
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.
1pvh LEUKEMIA INHIBITORY
FACTOR

(Homo sapiens) 		PF01291
(LIF_OSM) 		4 LEU B 126
LEU B  83
LEU B  90
GLY B  91
 None
 0.81A 1n13D-1pvhB:
undetectable
1n13E-1pvhB:
undetectable		 1n13D-1pvhB:
22.29
1n13E-1pvhB:
18.35
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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		4 LEU A 131
GLU A 137
LEU A 200
GLY A 206
 None
 0.88A 1n13D-1qaxA:
undetectable
1n13E-1qaxA:
undetectable		 1n13D-1qaxA:
14.89
1n13E-1qaxA:
7.71
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.
1qmn ALPHA-1-ANTICHYMOTRY
PSIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A  61
LEU A 299
LEU A 306
GLY A  79
 None
 0.80A 1n13D-1qmnA:
undetectable
1n13E-1qmnA:
undetectable		 1n13D-1qmnA:
13.45
1n13E-1qmnA:
8.91
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.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A   4
LEU A  57
LEU A  92
GLY A  93
 None
 0.68A 1n13D-1qorA:
undetectable
1n13E-1qorA:
undetectable		 1n13D-1qorA:
17.93
1n13E-1qorA:
13.96
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.
1s4d UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF00590
(TP_methylase) 		4 LEU A 196
ARG A 201
LEU A 155
GLY A 246
 None
 0.82A 1n13D-1s4dA:
undetectable
1n13E-1s4dA:
undetectable		 1n13D-1s4dA:
16.20
1n13E-1s4dA:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 ARG A 437
LEU A 532
ASP A 441
LEU A 377
 None
 0.84A 1n13D-1t1eA:
undetectable
1n13E-1t1eA:
undetectable		 1n13D-1t1eA:
10.26
1n13E-1t1eA:
7.32
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		4 LEU A 210
ARG A  29
LEU A  74
GLY A  73
 None
3SL  A 300 (-3.7A)
None
3SL  A 300 (-3.6A)
 0.86A 1n13D-1vr0A:
undetectable
1n13E-1vr0A:
undetectable		 1n13D-1vr0A:
20.93
1n13E-1vr0A:
10.93
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		5 LEU A  88
ARG A 200
LEU A  44
LEU A  17
GLY A  18
 None
 1.38A 1n13D-1w66A:
undetectable
1n13E-1w66A:
undetectable		 1n13D-1w66A:
18.45
1n13E-1w66A:
12.56
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.
1xng NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Helicobacter
pylori) 		PF02540
(NAD_synthase) 		4 LEU A 233
LEU A 207
LEU A 196
GLY A 197
 None
 0.81A 1n13D-1xngA:
undetectable
1n13E-1xngA:
undetectable		 1n13D-1xngA:
18.87
1n13E-1xngA:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y88 HYPOTHETICAL PROTEIN
AF1548

(Archaeoglobus
fulgidus) 		PF04471
(Mrr_cat) 		4 ARG A  13
ASP A 153
LEU A 148
GLY A 147
 None
 0.88A 1n13D-1y88A:
undetectable
1n13E-1y88A:
undetectable		 1n13D-1y88A:
19.49
1n13E-1y88A:
15.58
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 GLU A 292
ARG A 338
LEU A 288
GLY A 392
 None
 0.89A 1n13D-2dc0A:
undetectable
1n13E-2dc0A:
undetectable		 1n13D-2dc0A:
13.72
1n13E-2dc0A:
8.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2djz 235AA LONG
HYPOTHETICAL
BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Pyrococcus
horikoshii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		4 ARG A 191
ASP A 218
LEU A 217
GLY A 202
 None
 0.86A 1n13D-2djzA:
0.3
1n13E-2djzA:
undetectable		 1n13D-2djzA:
16.60
1n13E-2djzA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ARG A 414
LEU A 441
ASP A 442
GLY A 353
 None
NAD  A5555 (-4.5A)
None
None
 0.63A 1n13D-2fknA:
undetectable
1n13E-2fknA:
undetectable		 1n13D-2fknA:
12.68
1n13E-2fknA:
7.85
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 5 LEU A  26
ARG A  29
LEU A  52
ASP A  48
LEU A  45
 None
 1.04A 1n13D-2g42A:
undetectable
1n13E-2g42A:
undetectable		 1n13D-2g42A:
23.89
1n13E-2g42A:
24.32
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.
2h84 STEELY1

(Dictyostelium
discoideum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 LEU A2999
ARG A3118
ASP A2882
GLY A2793
 None
 0.87A 1n13D-2h84A:
0.5
1n13E-2h84A:
undetectable		 1n13D-2h84A:
15.63
1n13E-2h84A:
10.11
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.
2ivy HYPOTHETICAL PROTEIN
SSO1404

(Sulfolobus
solfataricus) 		PF09827
(CRISPR_Cas2) 		4 GLU A  77
ASP A  30
LEU A  29
GLY A  28
 None
 0.85A 1n13D-2ivyA:
undetectable
1n13E-2ivyA:
undetectable		 1n13D-2ivyA:
20.49
1n13E-2ivyA:
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		4 LEU A 361
ARG A 321
ASP A 366
LEU A 317
 None
 0.84A 1n13D-2jf7A:
undetectable
1n13E-2jf7A:
undetectable		 1n13D-2jf7A:
11.93
1n13E-2jf7A:
7.35
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.
2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF09281
(Taq-exonuc) 		4 LEU A 429
LEU A 763
ASP A 759
LEU A 723
 None
 0.88A 1n13D-2ktqA:
undetectable
1n13E-2ktqA:
undetectable		 1n13D-2ktqA:
12.48
1n13E-2ktqA:
7.42
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.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		4 LEU A 562
LEU A 544
LEU A 676
GLY A 675
 None
 0.83A 1n13D-2odpA:
undetectable
1n13E-2odpA:
undetectable		 1n13D-2odpA:
12.55
1n13E-2odpA:
7.88
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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ARG A 332
LEU A 282
ASP A 283
LEU A 121
GLY A 120
 None
 1.48A 1n13D-2ongA:
undetectable
1n13E-2ongA:
undetectable		 1n13D-2ongA:
10.58
1n13E-2ongA:
10.05
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 ARG A 132
LEU A 284
ASP A 280
LEU A 276
 None
 0.66A 1n13D-2pbgA:
undetectable
1n13E-2pbgA:
undetectable		 1n13D-2pbgA:
13.23
1n13E-2pbgA:
8.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pff FATTY ACID SYNTHASE
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF16073
(SAT) 		4 LEU B 421
LEU B 370
LEU B 512
GLY B 511
 None
 0.83A 1n13D-2pffB:
undetectable
1n13E-2pffB:
undetectable		 1n13D-2pffB:
3.72
1n13E-2pffB:
2.37
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.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		4 LEU A 399
LEU A 352
LEU A 272
GLY A 273
 None
 0.87A 1n13D-2pywA:
undetectable
1n13E-2pywA:
undetectable		 1n13D-2pywA:
13.90
1n13E-2pywA:
8.33
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ARG A 418
LEU A 445
ASP A 446
GLY A 357
 None
NAD  A3001 (-4.1A)
None
None
 0.56A 1n13D-2v7gA:
undetectable
1n13E-2v7gA:
undetectable		 1n13D-2v7gA:
13.19
1n13E-2v7gA:
7.71
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.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		4 GLU A 108
LEU A 161
LEU A  92
GLY A 151
 MN  A1005 (-2.5A)
None
None
None
 0.75A 1n13D-2vqaA:
undetectable
1n13E-2vqaA:
undetectable		 1n13D-2vqaA:
13.47
1n13E-2vqaA:
11.14
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.
2w5o ALPHA-L-ARABINOFURAN
OSIDASE

(Fusarium
graminearum) 		no annotation 4 LEU A  48
LEU A 173
LEU A 107
GLY A 117
 None
 0.88A 1n13D-2w5oA:
undetectable
1n13E-2w5oA:
undetectable		 1n13D-2w5oA:
14.44
1n13E-2w5oA:
10.11
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.
2wfx HEDGEHOG-INTERACTING
PROTEIN

(Homo sapiens) 		PF07995
(GSDH) 		4 LEU B 319
LEU B 357
LEU B 284
GLY B 283
 None
 0.80A 1n13D-2wfxB:
undetectable
1n13E-2wfxB:
undetectable		 1n13D-2wfxB:
12.11
1n13E-2wfxB:
8.40
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 LEU A 489
LEU A 684
LEU A 691
GLY A 692
 None
 0.84A 1n13D-2wjvA:
undetectable
1n13E-2wjvA:
undetectable		 1n13D-2wjvA:
9.11
1n13E-2wjvA:
5.25
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.
2xzl ATP-DEPENDENT
HELICASE NAM7

(Saccharomyces
cerevisiae) 		PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 LEU A 427
LEU A 620
LEU A 627
GLY A 628
 1PE  A1864 (-4.2A)
None
None
None
 0.84A 1n13D-2xzlA:
undetectable
1n13E-2xzlA:
undetectable		 1n13D-2xzlA:
9.58
1n13E-2xzlA:
6.04
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 LEU A 489
LEU A 684
LEU A 691
GLY A 692
 None
 0.77A 1n13D-2xzoA:
undetectable
1n13E-2xzoA:
undetectable		 1n13D-2xzoA:
11.46
1n13E-2xzoA:
6.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ARG A 404
LEU A  40
ASP A  36
LEU A  33
 None
 0.81A 1n13D-2ynkA:
undetectable
1n13E-2ynkA:
undetectable		 1n13D-2ynkA:
13.36
1n13E-2ynkA:
7.69
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.
2z2f LYSOZYME C-2

(Bos taurus) 		PF00062
(Lys) 		4 LEU A  25
LEU A   8
LEU A  15
GLY A  16
 None
 0.86A 1n13D-2z2fA:
undetectable
1n13E-2z2fA:
undetectable		 1n13D-2z2fA:
20.44
1n13E-2z2fA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		5 LEU A  70
ARG A  76
ASP A 384
LEU A 383
GLY A 380
 MES  A 503 (-3.4A)
MES  A 503 (-3.9A)
MES  A 503 ( 3.9A)
GOL  A 507 ( 4.7A)
None
 1.46A 1n13D-2zm2A:
undetectable
1n13E-2zm2A:
undetectable		 1n13D-2zm2A:
12.81
1n13E-2zm2A:
9.78
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.
3aeb SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL

(Sus scrofa) 		PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 LEU B 152
GLU B 148
ARG B 189
ASP B 193
LEU B 129
 None
 1.33A 1n13D-3aebB:
undetectable
1n13E-3aebB:
undetectable		 1n13D-3aebB:
19.51
1n13E-3aebB:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		4 LEU A 109
LEU A  59
LEU A  66
GLY A  67
 None
 0.87A 1n13D-3alyA:
1.1
1n13E-3alyA:
undetectable		 1n13D-3alyA:
24.84
1n13E-3alyA:
19.58
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		4 LEU A  43
ASP A  44
LEU A  53
GLY A  50
 None
 0.84A 1n13D-3bxoA:
undetectable
1n13E-3bxoA:
undetectable		 1n13D-3bxoA:
15.56
1n13E-3bxoA:
14.10
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.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		5 GLU A  52
LEU A  54
ASP A 275
LEU A 276
GLY A 273
 None
 1.27A 1n13D-3d9wA:
0.0
1n13E-3d9wA:
undetectable		 1n13D-3d9wA:
15.86
1n13E-3d9wA:
10.03
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		4 LEU A 287
ASP A 288
LEU A 297
GLY A 294
 None
 0.85A 1n13D-3dliA:
undetectable
1n13E-3dliA:
undetectable		 1n13D-3dliA:
20.09
1n13E-3dliA:
10.86
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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		4 ARG A 226
ASP A 139
LEU A 142
GLY A 143
 None
 0.74A 1n13D-3dpiA:
undetectable
1n13E-3dpiA:
undetectable		 1n13D-3dpiA:
17.50
1n13E-3dpiA:
10.56
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.
3dwc METALLOCARBOXYPEPTID
ASE

(Trypanosoma
cruzi) 		PF02074
(Peptidase_M32) 		4 LEU A 300
GLU A 266
LEU A 292
GLY A 293
 None
CO  A 999 ( 4.6A)
None
None
 0.85A 1n13D-3dwcA:
undetectable
1n13E-3dwcA:
undetectable		 1n13D-3dwcA:
13.17
1n13E-3dwcA:
9.23
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 LEU A  56
ASP A  57
LEU A  66
GLY A  63
 None
SAH  A 300 ( 4.7A)
None
None
 0.83A 1n13D-3e8sA:
undetectable
1n13E-3e8sA:
undetectable		 1n13D-3e8sA:
17.39
1n13E-3e8sA:
12.15
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.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 LEU A 203
LEU A 325
LEU A 272
GLY A 315
 None
 0.86A 1n13D-3fd5A:
undetectable
1n13E-3fd5A:
undetectable		 1n13D-3fd5A:
15.63
1n13E-3fd5A:
8.67
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.
3ff7 KILLER CELL
LECTIN-LIKE RECEPTOR
SUBFAMILY G MEMBER 1

(Homo sapiens) 		PF00059
(Lectin_C) 		4 LEU C 126
LEU C 111
LEU C 171
GLY C 170
 None
 0.69A 1n13D-3ff7C:
undetectable
1n13E-3ff7C:
undetectable		 1n13D-3ff7C:
17.05
1n13E-3ff7C:
21.57
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.
3ff8 KILLER CELL
LECTIN-LIKE RECEPTOR
SUBFAMILY G MEMBER 1

(Mus musculus) 		PF00059
(Lectin_C) 		4 LEU C 126
LEU C 111
LEU C 171
GLY C 170
 None
 0.79A 1n13D-3ff8C:
undetectable
1n13E-3ff8C:
undetectable		 1n13D-3ff8C:
19.38
1n13E-3ff8C:
20.18
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.
3fgq NEUROSERPIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A 180
LEU A  55
LEU A  62
GLY A  63
 None
 0.87A 1n13D-3fgqA:
undetectable
1n13E-3fgqA:
undetectable		 1n13D-3fgqA:
15.62
1n13E-3fgqA:
9.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iu1 GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 LEU A 353
GLU A 370
LEU A 493
GLY A 492
 None
 0.79A 1n13D-3iu1A:
undetectable
1n13E-3iu1A:
undetectable		 1n13D-3iu1A:
12.69
1n13E-3iu1A:
9.41
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.
3j8f POLIOVIRUS RECEPTOR

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 LEU 7  92
ARG 7  91
LEU 7  47
LEU 7 113
GLY 7 112
 None
 1.38A 1n13D-3j8f7:
undetectable
1n13E-3j8f7:
undetectable		 1n13D-3j8f7:
15.72
1n13E-3j8f7:
10.05
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.
3j9f POLIOVIRUS RECEPTOR

(Homo sapiens) 		PF07686
(V-set) 		5 LEU 7  92
ARG 7  91
LEU 7  47
LEU 7 113
GLY 7 112
 None
 1.31A 1n13D-3j9f7:
undetectable
1n13E-3j9f7:
undetectable		 1n13D-3j9f7:
22.31
1n13E-3j9f7:
22.41
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.
3k9i BH0479 PROTEIN

(Bacillus
halodurans) 		PF12688
(TPR_5) 		4 LEU A 110
LEU A  73
LEU A  80
GLY A  81
 None
 0.85A 1n13D-3k9iA:
undetectable
1n13E-3k9iA:
undetectable		 1n13D-3k9iA:
23.02
1n13E-3k9iA:
20.65
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.
3lqu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Salmonella
enterica) 		PF00926
(DHBP_synthase) 		4 GLU A  40
ARG A 150
LEU A 140
GLY A  94
 5SP  A 500 (-3.9A)
5SP  A 500 (-2.8A)
5SP  A 500 ( 4.8A)
None
 0.81A 1n13D-3lquA:
undetectable
1n13E-3lquA:
undetectable		 1n13D-3lquA:
21.66
1n13E-3lquA:
13.36
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.
3m05 UNCHARACTERIZED
PROTEIN PEPE_1480

(Pediococcus
pentosaceus) 		PF06153
(CdAMP_rec) 		4 ARG A  69
LEU A  18
ASP A  14
GLY A  96
 None
 0.87A 1n13D-3m05A:
undetectable
1n13E-3m05A:
undetectable		 1n13D-3m05A:
19.67
1n13E-3m05A:
17.24
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.
3mcx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 233
LEU A 427
LEU A 388
GLY A 387
 None
 0.83A 1n13D-3mcxA:
undetectable
1n13E-3mcxA:
undetectable		 1n13D-3mcxA:
13.39
1n13E-3mcxA:
10.36
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.
3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Mycolicibacterium
smegmatis) 		PF01791
(DeoC) 		4 LEU A  60
LEU A  30
LEU A  37
GLY A  38
 None
 0.88A 1n13D-3ndoA:
undetectable
1n13E-3ndoA:
undetectable		 1n13D-3ndoA:
21.10
1n13E-3ndoA:
13.02
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 LEU A 425
LEU A 392
LEU A 457
GLY A 422
 None
 0.80A 1n13D-3oepA:
undetectable
1n13E-3oepA:
undetectable		 1n13D-3oepA:
10.85
1n13E-3oepA:
9.27
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.
3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)

(Rhodobacter
sphaeroides) 		PF00588
(SpoU_methylase) 		5 ARG A  11
LEU A 129
ASP A 126
LEU A 122
GLY A 116
 None
None
None
None
ACY  A 250 (-4.5A)
 1.40A 1n13D-3onpA:
undetectable
1n13E-3onpA:
undetectable		 1n13D-3onpA:
19.68
1n13E-3onpA:
12.18
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.
3pg5 UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF13614
(AAA_31) 		4 ARG A 233
LEU A 349
ASP A 177
GLY A 175
 None
 0.89A 1n13D-3pg5A:
undetectable
1n13E-3pg5A:
undetectable		 1n13D-3pg5A:
16.43
1n13E-3pg5A:
11.35
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 LEU A  58
LEU A 107
LEU A 100
GLY A  99
 None
 0.83A 1n13D-3qfkA:
undetectable
1n13E-3qfkA:
undetectable		 1n13D-3qfkA:
10.25
1n13E-3qfkA:
7.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qy9 DIHYDRODIPICOLINATE
REDUCTASE

(Staphylococcus
aureus) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 LEU A  64
LEU A  76
ASP A  57
GLY A   7
 None
 0.89A 1n13D-3qy9A:
undetectable
1n13E-3qy9A:
undetectable		 1n13D-3qy9A:
20.17
1n13E-3qy9A:
14.22
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 250
ARG A 247
ASP A 171
GLY A 280
 None
 0.86A 1n13D-3ramA:
undetectable
1n13E-3ramA:
undetectable		 1n13D-3ramA:
14.97
1n13E-3ramA:
10.18
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		4 ARG A 265
ASP A 303
LEU A 273
GLY A 272
 None
None
None
SO4  A 543 ( 3.8A)
 0.82A 1n13D-3sqlA:
undetectable
1n13E-3sqlA:
undetectable		 1n13D-3sqlA:
12.52
1n13E-3sqlA:
7.61
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 LEU A 410
LEU A 399
LEU A 406
GLY A 407
 None
 0.89A 1n13D-3u0kA:
undetectable
1n13E-3u0kA:
undetectable		 1n13D-3u0kA:
11.54
1n13E-3u0kA:
9.65
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		4 LEU A 239
LEU A 212
LEU A 288
GLY A 287
 None
 0.89A 1n13D-3vohA:
undetectable
1n13E-3vohA:
undetectable		 1n13D-3vohA:
15.72
1n13E-3vohA:
8.85
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 LEU B 176
GLU B 172
ARG B 213
ASP B 217
GLY A 137
 None
 1.25A 1n13D-3vrbB:
undetectable
1n13E-3vrbB:
undetectable		 1n13D-3vrbB:
15.77
1n13E-3vrbB:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 LEU B 176
GLU B 172
ASP B 217
LEU B 153
GLY A 137
 None
 1.47A 1n13D-3vrbB:
undetectable
1n13E-3vrbB:
undetectable		 1n13D-3vrbB:
15.77
1n13E-3vrbB:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 361
ARG A 321
ASP A 366
LEU A 317
 None
 0.87A 1n13D-3wq4A:
undetectable
1n13E-3wq4A:
undetectable		 1n13D-3wq4A:
12.15
1n13E-3wq4A:
7.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		4 LEU A  35
LEU A 591
LEU A 598
GLY A 599
 None
 0.89A 1n13D-3wxoA:
undetectable
1n13E-3wxoA:
undetectable		 1n13D-3wxoA:
8.69
1n13E-3wxoA:
5.82
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.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		4 LEU A 281
LEU A 254
LEU A 330
GLY A 329
 None
 0.88A 1n13D-4a05A:
undetectable
1n13E-4a05A:
undetectable		 1n13D-4a05A:
13.46
1n13E-4a05A:
9.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a29 ENGINEERED
RETRO-ALDOL ENZYME
RA95.0

(synthetic
construct) 		PF00218
(IGPS) 		4 ARG A  28
LEU A  33
ASP A 128
GLY A 126
 None
 0.59A 1n13D-4a29A:
undetectable
1n13E-4a29A:
undetectable		 1n13D-4a29A:
19.51
1n13E-4a29A:
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		4 GLU A  12
ARG A 172
LEU A  35
GLY A 170
 None
 0.82A 1n13D-4a9aA:
undetectable
1n13E-4a9aA:
undetectable		 1n13D-4a9aA:
14.81
1n13E-4a9aA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bn5 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		4 LEU A 322
LEU A 315
LEU A 318
GLY A 319
 None
None
None
CNA  A1395 (-3.9A)
 0.80A 1n13D-4bn5A:
undetectable
1n13E-4bn5A:
undetectable		 1n13D-4bn5A:
17.02
1n13E-4bn5A:
12.60
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		4 LEU A 632
ARG A 628
LEU A 450
ASP A 446
 None
 0.77A 1n13D-4bzkA:
undetectable
1n13E-4bzkA:
undetectable		 1n13D-4bzkA:
5.98
1n13E-4bzkA:
3.31
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 LEU A1901
GLU A1850
ARG A1900
ASP A1844
 None
 0.66A 1n13D-4c0dA:
undetectable
1n13E-4c0dA:
undetectable		 1n13D-4c0dA:
9.33
1n13E-4c0dA:
4.91
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.
4cd8 ENDO-BETA-1,4-MANNAN
ASE

(Alicyclobacillus
acidocaldarius) 		no annotation 4 ARG A 170
ASP A 196
LEU A 176
GLY A 175
 None
 0.79A 1n13D-4cd8A:
undetectable
1n13E-4cd8A:
undetectable		 1n13D-4cd8A:
17.43
1n13E-4cd8A:
9.06
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.
4dav SUGAR FERMENTATION
STIMULATION PROTEIN
HOMOLOG

(Pyrococcus
furiosus) 		PF03749
(SfsA) 		4 LEU A 162
GLU A 126
LEU A 119
GLY A 112
 None
 0.78A 1n13D-4davA:
undetectable
1n13E-4davA:
undetectable		 1n13D-4davA:
20.70
1n13E-4davA:
12.17
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.
4i9f GLYCEROL 3-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 LEU A 263
ARG A 303
ASP A 297
GLY A 251
 None
 0.61A 1n13D-4i9fA:
undetectable
1n13E-4i9fA:
undetectable		 1n13D-4i9fA:
14.40
1n13E-4i9fA:
8.93
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.
4is7 CASKIN-2

(Homo sapiens) 		PF00536
(SAM_1) 		4 ARG A 156
ASP A 125
LEU A 122
GLY A 121
 None
 0.84A 1n13D-4is7A:
undetectable
1n13E-4is7A:
undetectable		 1n13D-4is7A:
21.43
1n13E-4is7A:
17.65
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		4 LEU A  65
LEU A  54
LEU A  61
GLY A  62
 None
None
None
BME  A 404 ( 4.7A)
 0.86A 1n13D-4ixuA:
undetectable
1n13E-4ixuA:
undetectable		 1n13D-4ixuA:
17.71
1n13E-4ixuA:
10.82
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 453
LEU A 218
LEU A 402
GLY A 403
 None
 0.81A 1n13D-4l7tA:
undetectable
1n13E-4l7tA:
undetectable		 1n13D-4l7tA:
12.75
1n13E-4l7tA:
8.01